data_7110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N CHEMICAL SHIFT FOR CBP BROMODOMIAN ; _BMRB_accession_number 7110 _BMRB_flat_file_name bmr7110.str _Entry_type original _Submission_date 2006-05-12 _Accession_date 2006-05-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 ZHOU MING-MING . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 478 "13C chemical shifts" 400 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-28 update BMRB 'updating citation section' 2006-06-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Target structure-based discovery of small molecules that block human p53 and CREB binding protein association' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16426974 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sachchidanand . . . 2 Resnick-Silverman Lois . . 3 Yan Sherry . . 4 Mutjaba Shiraz . . 5 Liu Wen-jun . . 6 Zeng Lei . . 7 Manfredi James J. . 8 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'Chem. Biol.' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 81 _Page_last 90 _Year 2006 _Details . loop_ _Keyword nmr stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBP BROMODOMAIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CBP BROMODOMAIN' $CBP_BROMODOMAIN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'free and other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBP_BROMODOMAIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSHMRKKIFKPEELRQALMP TLEALYRQDPESLPFRQPVD PQLLGIPDYFDIVKNPMDLS TIKRKLDTGQYQEPWQYVDD VWLMFNNAWLYNRKTSRVYK FCSKLAEVFEQEIDPVMQSL G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 ARG 6 6 LYS 7 7 LYS 8 8 ILE 9 9 PHE 10 10 LYS 11 11 PRO 12 12 GLU 13 13 GLU 14 14 LEU 15 15 ARG 16 16 GLN 17 17 ALA 18 18 LEU 19 19 MET 20 20 PRO 21 21 THR 22 22 LEU 23 23 GLU 24 24 ALA 25 25 LEU 26 26 TYR 27 27 ARG 28 28 GLN 29 29 ASP 30 30 PRO 31 31 GLU 32 32 SER 33 33 LEU 34 34 PRO 35 35 PHE 36 36 ARG 37 37 GLN 38 38 PRO 39 39 VAL 40 40 ASP 41 41 PRO 42 42 GLN 43 43 LEU 44 44 LEU 45 45 GLY 46 46 ILE 47 47 PRO 48 48 ASP 49 49 TYR 50 50 PHE 51 51 ASP 52 52 ILE 53 53 VAL 54 54 LYS 55 55 ASN 56 56 PRO 57 57 MET 58 58 ASP 59 59 LEU 60 60 SER 61 61 THR 62 62 ILE 63 63 LYS 64 64 ARG 65 65 LYS 66 66 LEU 67 67 ASP 68 68 THR 69 69 GLY 70 70 GLN 71 71 TYR 72 72 GLN 73 73 GLU 74 74 PRO 75 75 TRP 76 76 GLN 77 77 TYR 78 78 VAL 79 79 ASP 80 80 ASP 81 81 VAL 82 82 TRP 83 83 LEU 84 84 MET 85 85 PHE 86 86 ASN 87 87 ASN 88 88 ALA 89 89 TRP 90 90 LEU 91 91 TYR 92 92 ASN 93 93 ARG 94 94 LYS 95 95 THR 96 96 SER 97 97 ARG 98 98 VAL 99 99 TYR 100 100 LYS 101 101 PHE 102 102 CYS 103 103 SER 104 104 LYS 105 105 LEU 106 106 ALA 107 107 GLU 108 108 VAL 109 109 PHE 110 110 GLU 111 111 GLN 112 112 GLU 113 113 ILE 114 114 ASP 115 115 PRO 116 116 VAL 117 117 MET 118 118 GLN 119 119 SER 120 120 LEU 121 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17392 entity_1 100.00 121 100.00 100.00 2.18e-83 BMRB 17393 entity_1 100.00 121 100.00 100.00 2.18e-83 BMRB 6960 entity 100.00 121 100.00 100.00 2.18e-83 PDB 1JSP "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" 100.00 121 100.00 100.00 2.18e-83 PDB 2D82 "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" 100.00 121 100.00 100.00 2.18e-83 PDB 2L84 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" 100.00 121 100.00 100.00 2.18e-83 PDB 2L85 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" 100.00 121 100.00 100.00 2.18e-83 PDB 2RNY "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" 100.00 121 100.00 100.00 2.18e-83 PDB 3DWY "Crystal Structure Of The Bromodomain Of Human Crebbp" 98.35 119 99.16 99.16 2.19e-80 PDB 3P1C "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" 98.35 119 99.16 99.16 2.19e-80 PDB 3P1D "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" 98.35 119 99.16 99.16 2.19e-80 PDB 3P1E "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" 98.35 119 99.16 99.16 2.19e-80 PDB 3P1F "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 3SVH "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4A9K "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" 98.35 119 99.16 99.16 2.19e-80 PDB 4N3W "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" 96.69 237 100.00 100.00 2.59e-78 PDB 4N4F "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " 96.69 237 100.00 100.00 2.59e-78 PDB 4NR4 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NR5 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NR6 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NR7 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NYV "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NYW "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4NYX "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.19e-80 PDB 4OUF "Crystal Structure Of Cbp Bromodomain" 95.87 116 100.00 100.00 1.14e-78 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 99.17 2472 98.33 98.33 7.89e-75 DBJ BAG65526 "unnamed protein product [Homo sapiens]" 99.17 1198 98.33 98.33 1.20e-74 DBJ BAI45616 "CREB binding protein [synthetic construct]" 99.17 2442 98.33 98.33 8.34e-75 GB AAB28651 "CREB-binding protein [Mus sp.]" 99.17 2441 97.50 97.50 3.56e-73 GB AAC51331 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75 GB AAC51770 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.67e-75 GB AAH72594 "Crebbp protein, partial [Mus musculus]" 99.17 1589 98.33 98.33 7.85e-75 GB AAI72737 "CREB binding protein [synthetic construct]" 99.17 2441 98.33 98.33 1.04e-74 PRF 1923401A "protein CBP" 99.17 2441 97.50 97.50 3.56e-73 REF NP_001020603 "CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 1.04e-74 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 99.17 2404 98.33 98.33 8.13e-75 REF NP_001157494 "CREB-binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.21e-73 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 99.17 2442 98.33 98.33 8.84e-75 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75 SP P45481 "RecName: Full=CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 8.34e-75 SP Q6JHU9 "RecName: Full=CREB-binding protein [Rattus norvegicus]" 99.17 2442 98.33 98.33 8.42e-75 SP Q92793 "RecName: Full=CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 8.34e-75 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.21e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBP_BROMODOMAIN Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CBP_BROMODOMAIN 'Purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBP_BROMODOMAIN . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHZ _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model avance _Field_strength 800 _Details . save_ save_500MHZ _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_(H)C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_15N-ed-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-ed-NOESY _Sample_label $sample_1 save_ save_13C-ed_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-ed_NOESY _Sample_label $sample_1 save_ save_13C15N-filt-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C15N-filt-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 protons ppm 4.79 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'CBP BROMODOMAIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 HIS HA H 4.60 . . 2 3 3 HIS HB2 H 3.02 . . 3 3 3 HIS CA C 55.77 . . 4 3 3 HIS CB C 29.98 . . 5 3 3 HIS CG C 117.54 . . 6 5 5 ARG H H 8.47 . . 7 5 5 ARG HA H 4.33 . . 8 5 5 ARG HB2 H 1.76 . . 9 5 5 ARG HG2 H 1.61 . . 10 5 5 ARG HD2 H 3.15 . . 11 5 5 ARG CA C 55.77 . . 12 5 5 ARG CB C 30.92 . . 13 5 5 ARG CG C 27.13 . . 14 5 5 ARG CD C 43.34 . . 15 5 5 ARG N N 122.85 . . 16 6 6 LYS H H 8.43 . . 17 6 6 LYS HA H 4.28 . . 18 6 6 LYS HB2 H 1.34 . . 19 6 6 LYS HG2 H 1.39 . . 20 6 6 LYS HG3 H 1.30 . . 21 6 6 LYS HD2 H 1.65 . . 22 6 6 LYS HE2 H 2.92 . . 23 6 6 LYS CA C 56.25 . . 24 6 6 LYS CB C 32.79 . . 25 6 6 LYS CG C 25.00 . . 26 6 6 LYS CD C 29.02 . . 27 6 6 LYS CE C 41.57 . . 28 6 6 LYS N N 123.31 . . 29 7 7 LYS H H 8.30 . . 30 7 7 LYS HA H 4.24 . . 31 7 7 LYS HG2 H 1.09 . . 32 7 7 LYS HG3 H 0.96 . . 33 7 7 LYS HD2 H 1.49 . . 34 7 7 LYS HE2 H 2.67 . . 35 7 7 LYS CA C 56.01 . . 36 7 7 LYS CB C 33.50 . . 37 7 7 LYS CG C 24.76 . . 38 7 7 LYS CD C 28.79 . . 39 7 7 LYS CE C 41.81 . . 40 7 7 LYS N N 123.39 . . 41 8 8 ILE H H 8.04 . . 42 8 8 ILE HA H 4.28 . . 43 8 8 ILE HG2 H 1.43 . . 44 8 8 ILE CA C 59.81 . . 45 8 8 ILE CB C 39.02 . . 46 8 8 ILE CD1 C 17.43 . . 47 8 8 ILE N N 123.00 . . 48 9 9 PHE H H 8.94 . . 49 9 9 PHE HA H 4.64 . . 50 9 9 PHE HD2 H 7.39 . . 51 9 9 PHE CA C 57.24 . . 52 9 9 PHE CB C 41.41 . . 53 9 9 PHE CG C 129.87 . . 54 9 9 PHE N N 125.47 . . 55 10 10 LYS H H 9.23 . . 56 10 10 LYS HA H 4.68 . . 57 10 10 LYS HB2 H 1.68 . . 58 10 10 LYS HG2 H 1.66 . . 59 10 10 LYS HG3 H 1.54 . . 60 10 10 LYS HD2 H 1.71 . . 61 10 10 LYS HE2 H 2.99 . . 62 10 10 LYS CA C 54.35 . . 63 10 10 LYS CB C 31.63 . . 64 10 10 LYS CG C 25.24 . . 65 10 10 LYS CD C 28.79 . . 66 10 10 LYS CE C 41.81 . . 67 10 10 LYS N N 123.85 . . 68 11 11 PRO HA H 4.23 . . 69 11 11 PRO HB2 H 2.04 . . 70 11 11 PRO HG2 H 2.27 . . 71 11 11 PRO HG3 H 2.18 . . 72 11 11 PRO HD2 H 3.94 . . 73 11 11 PRO HD3 H 3.90 . . 74 11 11 PRO CA C 66.19 . . 75 11 11 PRO CB C 32.10 . . 76 11 11 PRO CG C 27.84 . . 77 11 11 PRO CD C 50.57 . . 78 12 12 GLU H H 9.76 . . 79 12 12 GLU HA H 4.15 . . 80 12 12 GLU HG2 H 2.33 . . 81 12 12 GLU CA C 59.56 . . 82 12 12 GLU CB C 28.38 . . 83 12 12 GLU CG C 35.87 . . 84 12 12 GLU N N 118.06 . . 85 13 13 GLU H H 7.21 . . 86 13 13 GLU HA H 4.12 . . 87 13 13 GLU HG2 H 2.35 . . 88 13 13 GLU HG3 H 2.20 . . 89 13 13 GLU CA C 59.16 . . 90 13 13 GLU CB C 29.91 . . 91 13 13 GLU CG C 36.63 . . 92 13 13 GLU N N 119.99 . . 93 14 14 LEU H H 7.83 . . 94 14 14 LEU HA H 3.79 . . 95 14 14 LEU HB2 H 1.33 . . 96 14 14 LEU HD2 H 0.34 . . 97 14 14 LEU CA C 57.67 . . 98 14 14 LEU CB C 41.12 . . 99 14 14 LEU CG C 26.42 . . 100 14 14 LEU CD1 C 25.24 . . 101 14 14 LEU CD2 C 25.24 . . 102 14 14 LEU N N 119.38 . . 103 15 15 ARG H H 8.13 . . 104 15 15 ARG HA H 3.67 . . 105 15 15 ARG HG2 H 1.56 . . 106 15 15 ARG HG3 H 1.44 . . 107 15 15 ARG HD2 H 3.28 . . 108 15 15 ARG HD3 H 2.85 . . 109 15 15 ARG CA C 60.57 . . 110 15 15 ARG CB C 29.73 . . 111 15 15 ARG CG C 28.31 . . 112 15 15 ARG CD C 43.44 . . 113 15 15 ARG N N 118.61 . . 114 16 16 GLN H H 7.81 . . 115 16 16 GLN HA H 3.92 . . 116 16 16 GLN HB2 H 2.08 . . 117 16 16 GLN HG2 H 2.48 . . 118 16 16 GLN HG3 H 2.40 . . 119 16 16 GLN CA C 58.38 . . 120 16 16 GLN CB C 28.00 . . 121 16 16 GLN CG C 33.76 . . 122 16 16 GLN N N 115.60 . . 123 17 17 ALA H H 7.46 . . 124 17 17 ALA HA H 4.17 . . 125 17 17 ALA CA C 53.88 . . 126 17 17 ALA CB C 19.37 . . 127 17 17 ALA N N 117.14 . . 128 18 18 LEU H H 7.99 . . 129 18 18 LEU HA H 4.18 . . 130 18 18 LEU HB2 H 0.31 . . 131 18 18 LEU HD2 H 0.23 . . 132 18 18 LEU CA C 55.30 . . 133 18 18 LEU CB C 41.33 . . 134 18 18 LEU CG C 26.18 . . 135 18 18 LEU CD1 C 24.53 . . 136 18 18 LEU CD2 C 24.53 . . 137 18 18 LEU N N 111.13 . . 138 19 19 MET H H 8.68 . . 139 19 19 MET HA H 4.41 . . 140 19 19 MET HG2 H 2.63 . . 141 19 19 MET HG3 H 2.54 . . 142 19 19 MET HE H 2.02 . . 143 19 19 MET CA C 59.09 . . 144 19 19 MET CB C 28.55 . . 145 19 19 MET CG C 32.58 . . 146 19 19 MET CE C 17.15 . . 147 19 19 MET N N 123.15 . . 148 20 20 PRO HA H 4.43 . . 149 20 20 PRO HB2 H 1.74 . . 150 20 20 PRO HG2 H 2.12 . . 151 20 20 PRO HG3 H 1.96 . . 152 20 20 PRO HD2 H 3.62 . . 153 20 20 PRO HD3 H 3.33 . . 154 20 20 PRO CA C 66.43 . . 155 20 20 PRO CB C 31.39 . . 156 20 20 PRO CG C 28.79 . . 157 20 20 PRO CD C 51.04 . . 158 21 21 THR H H 7.48 . . 159 21 21 THR HA H 4.14 . . 160 21 21 THR HG2 H 1.30 . . 161 21 21 THR CA C 64.53 . . 162 21 21 THR CB C 69.74 . . 163 21 21 THR CG2 C 23.11 . . 164 21 21 THR N N 126.70 . . 165 22 22 LEU H H 7.01 . . 166 22 22 LEU HA H 4.32 . . 167 22 22 LEU HB2 H 2.05 . . 168 22 22 LEU HD2 H 1.08 . . 169 22 22 LEU CA C 57.20 . . 170 22 22 LEU CB C 41.57 . . 171 22 22 LEU CG C 27.13 . . 172 22 22 LEU CD1 C 26.42 . . 173 22 22 LEU CD2 C 26.42 . . 174 22 22 LEU N N 125.00 . . 175 23 23 GLU H H 8.78 . . 176 23 23 GLU HA H 4.03 . . 177 23 23 GLU HB2 H 1.95 . . 178 23 23 GLU HG2 H 2.30 . . 179 23 23 GLU HG3 H 2.10 . . 180 23 23 GLU CA C 59.56 . . 181 23 23 GLU CB C 29.26 . . 182 23 23 GLU CG C 36.60 . . 183 23 23 GLU N N 119.38 . . 184 24 24 ALA H H 7.58 . . 185 24 24 ALA HA H 3.93 . . 186 24 24 ALA CA C 54.83 . . 187 24 24 ALA CB C 17.60 . . 188 24 24 ALA N N 118.92 . . 189 25 25 LEU H H 7.28 . . 190 25 25 LEU HA H 4.09 . . 191 25 25 LEU HB2 H 1.10 . . 192 25 25 LEU HD2 H 0.65 . . 193 25 25 LEU CA C 57.67 . . 194 25 25 LEU CB C 41.10 . . 195 25 25 LEU CG C 25.95 . . 196 25 25 LEU CD1 C 25.71 . . 197 25 25 LEU CD2 C 25.71 . . 198 25 25 LEU N N 114.75 . . 199 26 26 TYR H H 7.90 . . 200 26 26 TYR HA H 3.73 . . 201 26 26 TYR HD2 H 6.63 . . 202 26 26 TYR CA C 62.87 . . 203 26 26 TYR CB C 39.20 . . 204 26 26 TYR CG C 130.68 . . 205 26 26 TYR CD1 C 115.4 . . 206 26 26 TYR CD2 C 115.4 . . 207 26 26 TYR N N 116.99 . . 208 27 27 ARG H H 7.85 . . 209 27 27 ARG HA H 4.02 . . 210 27 27 ARG HB2 H 1.81 . . 211 27 27 ARG HG2 H 1.70 . . 212 27 27 ARG HD2 H 3.16 . . 213 27 27 ARG HD3 H 3.12 . . 214 27 27 ARG CA C 57.43 . . 215 27 27 ARG CB C 29.97 . . 216 27 27 ARG CG C 27.84 . . 217 27 27 ARG CD C 43.70 . . 218 27 27 ARG N N 112.98 . . 219 28 28 GLN H H 7.26 . . 220 28 28 GLN HA H 4.12 . . 221 28 28 GLN HB2 H 2.04 . . 222 28 28 GLN HG2 H 2.79 . . 223 28 28 GLN HG3 H 2.02 . . 224 28 28 GLN CA C 54.83 . . 225 28 28 GLN CB C 26.18 . . 226 28 28 GLN CG C 32.58 . . 227 28 28 GLN N N 117.37 . . 228 29 29 ASP H H 8.26 . . 229 29 29 ASP HA H 4.74 . . 230 29 29 ASP HB2 H 2.28 . . 231 29 29 ASP CA C 50.80 . . 232 29 29 ASP CB C 43.34 . . 233 29 29 ASP N N 112.06 . . 234 30 30 PRO HA H 5.04 . . 235 30 30 PRO HG2 H 1.92 . . 236 30 30 PRO HG3 H 1.08 . . 237 30 30 PRO HD2 H 3.35 . . 238 30 30 PRO CA C 64.77 . . 239 30 30 PRO CB C 34.47 . . 240 30 30 PRO CG C 25.00 . . 241 30 30 PRO CD C 49.86 . . 242 31 31 GLU H H 9.47 . . 243 31 31 GLU HA H 2.59 . . 244 31 31 GLU HG2 H 2.28 . . 245 31 31 GLU HG3 H 1.54 . . 246 31 31 GLU CA C 61.46 . . 247 31 31 GLU CG C 38.02 . . 248 31 31 GLU N N 123.92 . . 249 32 32 SER H H 8.01 . . 250 32 32 SER HA H 4.37 . . 251 32 32 SER HB2 H 3.66 . . 252 32 32 SER CA C 60.12 . . 253 32 32 SER CB C 64.77 . . 254 32 32 SER N N 123.62 . . 255 33 33 LEU H H 7.99 . . 256 33 33 LEU HA H 3.94 . . 257 33 33 LEU HB2 H 1.60 . . 258 33 33 LEU HD2 H 0.98 . . 259 33 33 LEU CA C 60.75 . . 260 33 33 LEU CB C 37.78 . . 261 33 33 LEU CG C 28.79 . . 262 33 33 LEU CD1 C 24.53 . . 263 33 33 LEU CD2 C 24.53 . . 264 33 33 LEU N N 124.31 . . 265 34 34 PRO HA H 4.38 . . 266 34 34 PRO HB2 H 0.76 . . 267 34 34 PRO HG2 H 1.92 . . 268 34 34 PRO HG3 H 1.82 . . 269 34 34 PRO HD2 H 3.83 . . 270 34 34 PRO HD3 H 3.06 . . 271 34 34 PRO CA C 64.53 . . 272 34 34 PRO CB C 31.16 . . 273 34 34 PRO CG C 27.84 . . 274 34 34 PRO CD C 50.57 . . 275 35 35 PHE H H 8.03 . . 276 35 35 PHE HA H 4.83 . . 277 35 35 PHE HB2 H 2.63 . . 278 35 35 PHE HD2 H 7.31 . . 279 35 35 PHE HE2 H 6.98 . . 280 35 35 PHE CA C 57.67 . . 281 35 35 PHE CB C 39.44 . . 282 35 35 PHE CG C 130.68 . . 283 35 35 PHE CD1 C 128.4 . . 284 35 35 PHE CD2 C 128.4 . . 285 35 35 PHE CE1 C 126.0 . . 286 35 35 PHE CE2 C 126.0 . . 287 35 35 PHE N N 113.83 . . 288 36 36 ARG H H 7.17 . . 289 36 36 ARG HA H 3.91 . . 290 36 36 ARG HB2 H 1.89 . . 291 36 36 ARG HG2 H 2.18 . . 292 36 36 ARG HG3 H 1.32 . . 293 36 36 ARG HD2 H 3.20 . . 294 36 36 ARG HD3 H 3.08 . . 295 36 36 ARG CA C 59.56 . . 296 36 36 ARG CB C 31.39 . . 297 36 36 ARG CG C 27.84 . . 298 36 36 ARG CD C 44.17 . . 299 36 36 ARG N N 117.76 . . 300 37 37 GLN H H 7.58 . . 301 37 37 GLN HA H 4.88 . . 302 37 37 GLN HB2 H 1.78 . . 303 37 37 GLN HG2 H 2.23 . . 304 37 37 GLN HG3 H 2.08 . . 305 37 37 GLN CA C 53.17 . . 306 37 37 GLN CB C 28.79 . . 307 37 37 GLN CG C 32.58 . . 308 37 37 GLN N N 113.98 . . 309 38 38 PRO HA H 4.07 . . 310 38 38 PRO HB2 H 1.60 . . 311 38 38 PRO HG2 H 1.95 . . 312 38 38 PRO HD2 H 3.65 . . 313 38 38 PRO HD3 H 3.44 . . 314 38 38 PRO CA C 62.64 . . 315 38 38 PRO CB C 31.86 . . 316 38 38 PRO CG C 27.37 . . 317 38 38 PRO CD C 50.57 . . 318 39 39 VAL H H 8.46 . . 319 39 39 VAL HA H 3.10 . . 320 39 39 VAL HG2 H 0.36 . . 321 39 39 VAL CA C 64.51 . . 322 39 39 VAL CB C 32.10 . . 323 39 39 VAL N N 125.47 . . 324 40 40 ASP H H 7.30 . . 325 40 40 ASP HA H 5.02 . . 326 40 40 ASP HB2 H 2.36 . . 327 40 40 ASP CA C 49.62 . . 328 40 40 ASP CB C 41.57 . . 329 40 40 ASP N N 128.09 . . 330 41 41 PRO HA H 3.63 . . 331 41 41 PRO HB2 H 1.73 . . 332 41 41 PRO HG2 H 1.57 . . 333 41 41 PRO HG3 H 1.10 . . 334 41 41 PRO HD2 H 3.76 . . 335 41 41 PRO HD3 H 3.77 . . 336 41 41 PRO CA C 64.53 . . 337 41 41 PRO CB C 33.05 . . 338 41 41 PRO CG C 27.84 . . 339 41 41 PRO CD C 51.09 . . 340 42 42 GLN H H 7.87 . . 341 42 42 GLN HA H 4.03 . . 342 42 42 GLN HG2 H 2.35 . . 343 42 42 GLN CA C 58.14 . . 344 42 42 GLN CB C 27.84 . . 345 42 42 GLN CG C 34.00 . . 346 42 42 GLN N N 115.14 . . 347 43 43 LEU H H 7.42 . . 348 43 43 LEU HA H 3.99 . . 349 43 43 LEU HD2 H 0.82 . . 350 43 43 LEU CA C 57.20 . . 351 43 43 LEU CB C 42.05 . . 352 43 43 LEU CG C 26.89 . . 353 43 43 LEU CD1 C 24.05 . . 354 43 43 LEU CD2 C 24.05 . . 355 43 43 LEU N N 121.92 . . 356 44 44 LEU H H 7.54 . . 357 44 44 LEU HA H 4.09 . . 358 44 44 LEU HD2 H 0.46 . . 359 44 44 LEU CA C 54.59 . . 360 44 44 LEU CB C 42.99 . . 361 44 44 LEU CG C 26.66 . . 362 44 44 LEU CD1 C 25.71 . . 363 44 44 LEU CD2 C 25.71 . . 364 44 44 LEU N N 114.21 . . 365 45 45 GLY H H 7.39 . . 366 45 45 GLY HA2 H 3.91 . . 367 45 45 GLY HA3 H 3.91 . . 368 45 45 GLY N N 127.93 . . 369 46 46 ILE H H 7.86 . . 370 46 46 ILE HA H 4.94 . . 371 46 46 ILE HG2 H 1.68 . . 372 46 46 ILE CA C 57.43 . . 373 46 46 ILE CB C 38.26 . . 374 46 46 ILE CD1 C 18.84 . . 375 46 46 ILE N N 111.90 . . 376 47 47 PRO HA H 4.12 . . 377 47 47 PRO HB2 H 2.03 . . 378 47 47 PRO HG2 H 1.94 . . 379 47 47 PRO HD2 H 3.77 . . 380 47 47 PRO HD3 H 3.33 . . 381 47 47 PRO CA C 64.77 . . 382 47 47 PRO CB C 31.86 . . 383 47 47 PRO CG C 26.89 . . 384 47 47 PRO CD C 50.57 . . 385 48 48 ASP H H 8.43 . . 386 48 48 ASP HA H 4.64 . . 387 48 48 ASP HB2 H 2.66 . . 388 48 48 ASP CA C 53.41 . . 389 48 48 ASP CB C 40.15 . . 390 48 48 ASP N N 118.38 . . 391 49 49 TYR H H 8.01 . . 392 49 49 TYR HA H 3.70 . . 393 49 49 TYR HB2 H 2.05 . . 394 49 49 TYR HD2 H 6.31 . . 395 49 49 TYR CA C 63.59 . . 396 49 49 TYR CB C 39.20 . . 397 49 49 TYR CG C 130.68 . . 398 49 49 TYR CD1 C 115.3 . . 399 49 49 TYR CD2 C 115.3 . . 400 49 49 TYR N N 122.15 . . 401 50 50 PHE H H 8.51 . . 402 50 50 PHE HA H 4.84 . . 403 50 50 PHE HB2 H 2.94 . . 404 50 50 PHE HD2 H 7.42 . . 405 50 50 PHE CA C 57.24 . . 406 50 50 PHE CB C 37.31 . . 407 50 50 PHE CG C 128.85 . . 408 50 50 PHE N N 113.29 . . 409 51 51 ASP H H 7.64 . . 410 51 51 ASP HA H 4.46 . . 411 51 51 ASP HB2 H 2.70 . . 412 51 51 ASP CA C 56.00 . . 413 51 51 ASP CB C 40.41 . . 414 51 51 ASP N N 117.76 . . 415 52 52 ILE H H 7.18 . . 416 52 52 ILE HA H 3.99 . . 417 52 52 ILE HG2 H 1.59 . . 418 52 52 ILE CA C 61.46 . . 419 52 52 ILE CB C 39.68 . . 420 52 52 ILE CD1 C 17.42 . . 421 52 52 ILE N N 118.84 . . 422 53 53 VAL H H 8.62 . . 423 53 53 VAL HA H 3.56 . . 424 53 53 VAL HG2 H 0.56 . . 425 53 53 VAL CA C 62.51 . . 426 53 53 VAL CB C 30.35 . . 427 53 53 VAL N N 122.46 . . 428 54 54 LYS H H 7.66 . . 429 54 54 LYS HA H 4.22 . . 430 54 54 LYS HB2 H 1.65 . . 431 54 54 LYS HG2 H 1.43 . . 432 54 54 LYS HG3 H 1.39 . . 433 54 54 LYS HD2 H 1.58 . . 434 54 54 LYS HE2 H 2.95 . . 435 54 54 LYS CA C 56.25 . . 436 54 54 LYS CB C 32.34 . . 437 54 54 LYS CG C 24.53 . . 438 54 54 LYS CD C 27.84 . . 439 54 54 LYS CE C 42.52 . . 440 54 54 LYS N N 123.15 . . 441 55 55 ASN H H 8.59 . . 442 55 55 ASN HA H 5.23 . . 443 55 55 ASN CA C 50.53 . . 444 55 55 ASN CB C 40.15 . . 445 55 55 ASN N N 116.99 . . 446 56 56 PRO HA H 4.07 . . 447 56 56 PRO HB2 H 2.06 . . 448 56 56 PRO HG2 H 2.17 . . 449 56 56 PRO HG3 H 1.94 . . 450 56 56 PRO HD2 H 3.65 . . 451 56 56 PRO HD3 H 3.44 . . 452 56 56 PRO CA C 62.64 . . 453 56 56 PRO CB C 32.81 . . 454 56 56 PRO CG C 27.60 . . 455 56 56 PRO CD C 50.33 . . 456 57 57 MET H H 8.42 . . 457 57 57 MET HA H 5.05 . . 458 57 57 MET HB2 H 1.27 . . 459 57 57 MET HG2 H 2.99 . . 460 57 57 MET HG3 H 2.92 . . 461 57 57 MET HE H 1.99 . . 462 57 57 MET CA C 54.12 . . 463 57 57 MET CB C 31.86 . . 464 57 57 MET CG C 30.68 . . 465 57 57 MET CE C 14.18 . . 466 57 57 MET N N 119.07 . . 467 58 58 ASP H H 7.29 . . 468 58 58 ASP HA H 4.87 . . 469 58 58 ASP HB2 H 2.29 . . 470 58 58 ASP CA C 53.41 . . 471 58 58 ASP CB C 43.74 . . 472 58 58 ASP N N 120.77 . . 473 59 59 LEU H H 8.82 . . 474 59 59 LEU HA H 3.81 . . 475 59 59 LEU HB2 H 1.32 . . 476 59 59 LEU HD2 H 0.18 . . 477 59 59 LEU CA C 58.62 . . 478 59 59 LEU CB C 42.28 . . 479 59 59 LEU CG C 26.42 . . 480 59 59 LEU CD1 C 25.01 . . 481 59 59 LEU CD2 C 25.01 . . 482 59 59 LEU N N 119.15 . . 483 60 60 SER H H 8.23 . . 484 60 60 SER HA H 4.23 . . 485 60 60 SER HB2 H 3.95 . . 486 60 60 SER CA C 61.93 . . 487 60 60 SER CB C 61.93 . . 488 60 60 SER N N 115.68 . . 489 61 61 THR H H 6.94 . . 490 61 61 THR HA H 3.89 . . 491 61 61 THR HG2 H 1.14 . . 492 61 61 THR CA C 66.90 . . 493 61 61 THR CB C 68.26 . . 494 61 61 THR CG2 C 22.25 . . 495 61 61 THR N N 124.85 . . 496 62 62 ILE H H 7.53 . . 497 62 62 ILE HA H 3.92 . . 498 62 62 ILE HG2 H 1.08 . . 499 62 62 ILE CA C 65.48 . . 500 62 62 ILE CB C 38.73 . . 501 62 62 ILE CD1 C 19.08 . . 502 62 62 ILE N N 123.69 . . 503 63 63 LYS H H 8.78 . . 504 63 63 LYS HA H 3.69 . . 505 63 63 LYS HB2 H 1.23 . . 506 63 63 LYS HG2 H 1.49 . . 507 63 63 LYS HG3 H 1.22 . . 508 63 63 LYS HD2 H 1.54 . . 509 63 63 LYS HE2 H 2.84 . . 510 63 63 LYS CA C 60.25 . . 511 63 63 LYS CB C 32.58 . . 512 63 63 LYS CG C 25.24 . . 513 63 63 LYS CD C 29.02 . . 514 63 63 LYS N N 119.15 . . 515 64 64 ARG H H 7.80 . . 516 64 64 ARG HA H 4.17 . . 517 64 64 ARG HB2 H 1.50 . . 518 64 64 ARG HG2 H 1.67 . . 519 64 64 ARG HG3 H 1.50 . . 520 64 64 ARG HD2 H 3.20 . . 521 64 64 ARG CA C 59.64 . . 522 64 64 ARG CB C 29.50 . . 523 64 64 ARG CG C 27.13 . . 524 64 64 ARG CD C 42.99 . . 525 64 64 ARG N N 117.99 . . 526 65 65 LYS H H 8.49 . . 527 65 65 LYS HA H 3.41 . . 528 65 65 LYS HG2 H 1.86 . . 529 65 65 LYS HG3 H 0.74 . . 530 65 65 LYS HD2 H 1.56 . . 531 65 65 LYS HD3 H 1.35 . . 532 65 65 LYS HE2 H 2.37 . . 533 65 65 LYS CA C 60.98 . . 534 65 65 LYS CB C 34.23 . . 535 65 65 LYS CG C 26.18 . . 536 65 65 LYS CD C 28.79 . . 537 65 65 LYS CE C 41.33 . . 538 65 65 LYS N N 122.00 . . 539 66 66 LEU H H 8.57 . . 540 66 66 LEU HA H 4.35 . . 541 66 66 LEU HB2 H 1.78 . . 542 66 66 LEU HD2 H 0.74 . . 543 66 66 LEU CA C 57.72 . . 544 66 66 LEU CB C 42.99 . . 545 66 66 LEU CG C 27.60 . . 546 66 66 LEU CD1 C 25.71 . . 547 66 66 LEU CD2 C 25.71 . . 548 66 66 LEU N N 120.53 . . 549 67 67 ASP H H 9.13 . . 550 67 67 ASP HA H 4.36 . . 551 67 67 ASP HB2 H 2.60 . . 552 67 67 ASP CA C 57.24 . . 553 67 67 ASP CB C 41.10 . . 554 67 67 ASP N N 119.99 . . 555 68 68 THR H H 7.77 . . 556 68 68 THR HA H 4.50 . . 557 68 68 THR HG2 H 1.23 . . 558 68 68 THR CA C 61.07 . . 559 68 68 THR CB C 69.70 . . 560 68 68 THR CG2 C 21.09 . . 561 68 68 THR N N 125.16 . . 562 69 69 GLY H H 7.43 . . 563 69 69 GLY HA2 H 4.25 . . 564 69 69 GLY HA3 H 4.25 . . 565 69 69 GLY CA C 47.49 . . 566 69 69 GLY N N 109.90 . . 567 70 70 GLN H H 8.38 . . 568 70 70 GLN HA H 3.98 . . 569 70 70 GLN HB2 H 1.07 . . 570 70 70 GLN HG2 H 2.21 . . 571 70 70 GLN HG3 H 2.20 . . 572 70 70 GLN CA C 56.48 . . 573 70 70 GLN CB C 28.55 . . 574 70 70 GLN CG C 34.23 . . 575 70 70 GLN N N 114.75 . . 576 71 71 TYR H H 8.12 . . 577 71 71 TYR HA H 4.77 . . 578 71 71 TYR HB2 H 2.65 . . 579 71 71 TYR HD2 H 6.57 . . 580 71 71 TYR CA C 56.25 . . 581 71 71 TYR CB C 37.55 . . 582 71 71 TYR CG C 129.87 . . 583 71 71 TYR CD1 C 115.3 . . 584 71 71 TYR CD2 C 115.3 . . 585 71 71 TYR N N 117.68 . . 586 72 72 GLN H H 8.91 . . 587 72 72 GLN HA H 4.29 . . 588 72 72 GLN HB2 H 2.13 . . 589 72 72 GLN HG2 H 2.43 . . 590 72 72 GLN CA C 56.96 . . 591 72 72 GLN CB C 30.39 . . 592 72 72 GLN CG C 34.47 . . 593 72 72 GLN N N 120.69 . . 594 73 73 GLU H H 7.66 . . 595 73 73 GLU HA H 4.64 . . 596 73 73 GLU HB2 H 1.47 . . 597 73 73 GLU HG2 H 2.43 . . 598 73 73 GLU HG3 H 2.25 . . 599 73 73 GLU CA C 53.17 . . 600 73 73 GLU CB C 31.86 . . 601 73 73 GLU CG C 35.65 . . 602 73 73 GLU N N 114.21 . . 603 74 74 PRO HA H 3.78 . . 604 74 74 PRO HG2 H 1.80 . . 605 74 74 PRO HG3 H 1.41 . . 606 74 74 PRO HD2 H 3.75 . . 607 74 74 PRO HD3 H 2.77 . . 608 74 74 PRO CA C 65.39 . . 609 74 74 PRO CB C 31.63 . . 610 74 74 PRO CG C 27.37 . . 611 74 74 PRO CD C 50.09 . . 612 75 75 TRP CG C 112.20 . . 613 76 76 GLN H H 6.93 . . 614 76 76 GLN HA H 3.87 . . 615 76 76 GLN HB2 H 2.06 . . 616 76 76 GLN HG2 H 1.86 . . 617 76 76 GLN HG3 H 1.28 . . 618 76 76 GLN CA C 58.38 . . 619 76 76 GLN CB C 29.97 . . 620 76 76 GLN CG C 33.28 . . 621 76 76 GLN N N 118.53 . . 622 77 77 TYR H H 6.28 . . 623 77 77 TYR HA H 3.39 . . 624 77 77 TYR HB2 H 1.76 . . 625 77 77 TYR HD2 H 6.61 . . 626 77 77 TYR CA C 59.64 . . 627 77 77 TYR CB C 37.55 . . 628 77 77 TYR CG C 131.08 . . 629 77 77 TYR CD1 C 115.5 . . 630 77 77 TYR CD2 C 115.5 . . 631 77 77 TYR N N 120.53 . . 632 78 78 VAL H H 7.33 . . 633 78 78 VAL HA H 3.07 . . 634 78 78 VAL HG2 H 1.29 . . 635 78 78 VAL CA C 67.31 . . 636 78 78 VAL CB C 31.81 . . 637 78 78 VAL N N 119.15 . . 638 79 79 ASP H H 8.44 . . 639 79 79 ASP HA H 4.56 . . 640 79 79 ASP HB2 H 2.71 . . 641 79 79 ASP CA C 57.43 . . 642 79 79 ASP CB C 40.12 . . 643 79 79 ASP N N 116.99 . . 644 80 80 ASP H H 7.20 . . 645 80 80 ASP HA H 4.56 . . 646 80 80 ASP HB2 H 2.49 . . 647 80 80 ASP CA C 57.20 . . 648 80 80 ASP CB C 39.68 . . 649 80 80 ASP N N 121.77 . . 650 81 81 VAL H H 7.48 . . 651 81 81 VAL HA H 2.48 . . 652 81 81 VAL HG2 H -0.2 . . 653 81 81 VAL CA C 66.83 . . 654 81 81 VAL CB C 30.27 . . 655 81 81 VAL N N 121.69 . . 656 82 82 TRP CG C 111.61 . . 657 83 83 LEU H H 8.07 . . 658 83 83 LEU HA H 4.24 . . 659 83 83 LEU HB2 H 1.66 . . 660 83 83 LEU HD2 H 0.90 . . 661 83 83 LEU CA C 58.14 . . 662 83 83 LEU CB C 42.05 . . 663 83 83 LEU CG C 27.37 . . 664 83 83 LEU CD1 C 26.18 . . 665 83 83 LEU CD2 C 26.18 . . 666 83 83 LEU N N 122.92 . . 667 84 84 MET H H 7.28 . . 668 84 84 MET HA H 3.68 . . 669 84 84 MET HB2 H 1.23 . . 670 84 84 MET HG2 H 2.64 . . 671 84 84 MET HG3 H 1.86 . . 672 84 84 MET HE H 1.21 . . 673 84 84 MET CA C 59.80 . . 674 84 84 MET CB C 33.05 . . 675 84 84 MET CG C 31.39 . . 676 84 84 MET CE C 16.95 . . 677 84 84 MET N N 117.61 . . 678 85 85 PHE H H 7.50 . . 679 85 85 PHE HA H 4.18 . . 680 85 85 PHE HB2 H 1.48 . . 681 85 85 PHE HD2 H 6.05 . . 682 85 85 PHE CA C 56.48 . . 683 85 85 PHE CB C 36.60 . . 684 85 85 PHE CG C 127.24 . . 685 85 85 PHE CD1 C 124.8 . . 686 85 85 PHE CD2 C 124.8 . . 687 85 85 PHE N N 118.68 . . 688 86 86 ASN H H 9.61 . . 689 86 86 ASN HA H 4.83 . . 690 86 86 ASN HB2 H 2.91 . . 691 86 86 ASN CA C 56.72 . . 692 86 86 ASN CB C 37.78 . . 693 86 86 ASN N N 118.84 . . 694 87 87 ASN H H 8.92 . . 695 87 87 ASN HA H 4.49 . . 696 87 87 ASN HB2 H 2.73 . . 697 87 87 ASN CA C 55.50 . . 698 87 87 ASN CB C 38.54 . . 699 87 87 ASN N N 119.22 . . 700 88 88 ALA H H 7.31 . . 701 88 88 ALA HA H 4.32 . . 702 88 88 ALA CA C 54.83 . . 703 88 88 ALA CB C 17.91 . . 704 88 88 ALA N N 121.46 . . 705 89 89 TRP CG C 112.28 . . 706 90 90 LEU H H 7.64 . . 707 90 90 LEU HA H 4.41 . . 708 90 90 LEU HB2 H 1.85 . . 709 90 90 LEU HD2 H 1.00 . . 710 90 90 LEU CA C 56.72 . . 711 90 90 LEU CB C 42.99 . . 712 90 90 LEU CG C 27.13 . . 713 90 90 LEU CD1 C 26.42 . . 714 90 90 LEU CD2 C 26.42 . . 715 90 90 LEU N N 118.68 . . 716 91 91 TYR H H 8.34 . . 717 91 91 TYR HA H 4.00 . . 718 91 91 TYR HB2 H 2.98 . . 719 91 91 TYR HD2 H 6.81 . . 720 91 91 TYR CA C 62.40 . . 721 91 91 TYR CB C 40.62 . . 722 91 91 TYR CG C 130.48 . . 723 91 91 TYR CD1 C 115.9 . . 724 91 91 TYR CD2 C 115.9 . . 725 91 91 TYR N N 115.60 . . 726 92 92 ASN H H 7.83 . . 727 92 92 ASN HA H 4.65 . . 728 92 92 ASN HB2 H 2.88 . . 729 92 92 ASN CA C 52.93 . . 730 92 92 ASN CB C 41.10 . . 731 92 92 ASN N N 112.98 . . 732 93 93 ARG H H 8.79 . . 733 93 93 ARG HA H 4.30 . . 734 93 93 ARG HB2 H 1.72 . . 735 93 93 ARG HG2 H 1.74 . . 736 93 93 ARG HD2 H 3.17 . . 737 93 93 ARG CA C 55.77 . . 738 93 93 ARG CB C 31.16 . . 739 93 93 ARG CG C 27.37 . . 740 93 93 ARG CD C 42.99 . . 741 93 93 ARG N N 118.07 . . 742 94 94 LYS H H 8.82 . . 743 94 94 LYS HA H 2.19 . . 744 94 94 LYS HB2 H 1.38 . . 745 94 94 LYS HG2 H 1.16 . . 746 94 94 LYS HG3 H 1.03 . . 747 94 94 LYS HD2 H 1.52 . . 748 94 94 LYS HE2 H 2.92 . . 749 94 94 LYS CA C 58.62 . . 750 94 94 LYS CB C 32.10 . . 751 94 94 LYS CG C 25.23 . . 752 94 94 LYS CD C 29.02 . . 753 94 94 LYS CE C 41.81 . . 754 94 94 LYS N N 122.85 . . 755 95 95 THR H H 6.88 . . 756 95 95 THR HA H 4.08 . . 757 95 95 THR HG2 H 1.10 . . 758 95 95 THR CA C 60.74 . . 759 95 95 THR CB C 68.74 . . 760 95 95 THR CG2 C 21.93 . . 761 95 95 THR N N 122.61 . . 762 96 96 SER H H 7.87 . . 763 96 96 SER HA H 4.39 . . 764 96 96 SER HB2 H 3.99 . . 765 96 96 SER CA C 58.14 . . 766 96 96 SER CB C 65.95 . . 767 96 96 SER N N 118.22 . . 768 97 97 ARG H H 7.31 . . 769 97 97 ARG HA H 3.67 . . 770 97 97 ARG HB2 H 1.30 . . 771 97 97 ARG HG2 H 1.01 . . 772 97 97 ARG HG3 H 0.69 . . 773 97 97 ARG HD2 H 3.01 . . 774 97 97 ARG CA C 59.09 . . 775 97 97 ARG CB C 29.97 . . 776 97 97 ARG CG C 26.42 . . 777 97 97 ARG CD C 43.23 . . 778 97 97 ARG N N 121.30 . . 779 98 98 VAL H H 8.04 . . 780 98 98 VAL HA H 3.23 . . 781 98 98 VAL HG2 H 0.61 . . 782 98 98 VAL CA C 67.14 . . 783 98 98 VAL CB C 31.16 . . 784 98 98 VAL N N 114.98 . . 785 99 99 TYR H H 8.03 . . 786 99 99 TYR HA H 3.73 . . 787 99 99 TYR HB2 H 2.56 . . 788 99 99 TYR HD2 H 7.02 . . 789 99 99 TYR CA C 62.17 . . 790 99 99 TYR CB C 40.15 . . 791 99 99 TYR CG C 132.30 . . 792 99 99 TYR CD1 C 116.1 . . 793 99 99 TYR CD2 C 116.1 . . 794 100 100 LYS H H 7.77 . . 795 100 100 LYS HA H 4.32 . . 796 100 100 LYS HG2 H 1.71 . . 797 100 100 LYS HG3 H 1.60 . . 798 100 100 LYS HD2 H 1.72 . . 799 100 100 LYS HD3 H 1.64 . . 800 100 100 LYS HE2 H 2.91 . . 801 100 100 LYS CA C 60.12 . . 802 100 100 LYS CB C 31.82 . . 803 100 100 LYS CG C 25.71 . . 804 100 100 LYS CD C 29.50 . . 805 100 100 LYS CE C 42.05 . . 806 100 100 LYS N N 118.14 . . 807 101 101 PHE H H 9.17 . . 808 101 101 PHE HA H 4.47 . . 809 101 101 PHE HB2 H 3.62 . . 810 101 101 PHE HD2 H 7.28 . . 811 101 101 PHE HE2 H 7.15 . . 812 101 101 PHE CA C 57.20 . . 813 101 101 PHE CB C 36.60 . . 814 101 101 PHE CG C 127.44 . . 815 101 101 PHE CD1 C 128.8 . . 816 101 101 PHE CD2 C 128.8 . . 817 101 101 PHE CE1 C 126.8 . . 818 101 101 PHE CE2 C 126.8 . . 819 101 101 PHE N N 121.38 . . 820 102 102 CYS H H 8.54 . . 821 102 102 CYS HA H 3.20 . . 822 102 102 CYS HB2 H 2.71 . . 823 102 102 CYS CA C 61.22 . . 824 102 102 CYS CB C 25.71 . . 825 102 102 CYS N N 120.15 . . 826 103 103 SER H H 8.47 . . 827 103 103 SER HA H 4.45 . . 828 103 103 SER HB2 H 4.11 . . 829 103 103 SER CA C 62.88 . . 830 103 103 SER CB C 62.40 . . 831 103 103 SER N N 112.83 . . 832 104 104 LYS H H 7.81 . . 833 104 104 LYS HA H 4.23 . . 834 104 104 LYS HG2 H 1.47 . . 835 104 104 LYS HG3 H 1.24 . . 836 104 104 LYS HD2 H 1.79 . . 837 104 104 LYS HD3 H 1.62 . . 838 104 104 LYS HE2 H 2.83 . . 839 104 104 LYS CA C 58.14 . . 840 104 104 LYS CB C 31.16 . . 841 104 104 LYS CG C 24.29 . . 842 104 104 LYS CD C 27.60 . . 843 104 104 LYS CE C 41.81 . . 844 104 104 LYS N N 122.61 . . 845 105 105 LEU H H 7.82 . . 846 105 105 LEU HA H 3.62 . . 847 105 105 LEU HB2 H 1.11 . . 848 105 105 LEU HD2 H 0.37 . . 849 105 105 LEU CA C 57.72 . . 850 105 105 LEU CB C 41.90 . . 851 105 105 LEU CG C 26.66 . . 852 105 105 LEU CD1 C 26.18 . . 853 105 105 LEU CD2 C 26.18 . . 854 105 105 LEU N N 118.84 . . 855 106 106 ALA H H 7.97 . . 856 106 106 ALA HA H 3.39 . . 857 106 106 ALA CA C 54.84 . . 858 106 106 ALA CB C 17.66 . . 859 106 106 ALA N N 120.53 . . 860 107 107 GLU H H 7.48 . . 861 107 107 GLU HA H 4.12 . . 862 107 107 GLU HG2 H 2.50 . . 863 107 107 GLU HG3 H 2.20 . . 864 107 107 GLU CA C 59.64 . . 865 107 107 GLU CB C 29.50 . . 866 107 107 GLU CG C 36.60 . . 867 107 107 GLU N N 119.07 . . 868 108 108 VAL H H 7.75 . . 869 108 108 VAL HA H 3.64 . . 870 108 108 VAL HG2 H 0.95 . . 871 108 108 VAL CA C 65.95 . . 872 108 108 VAL CB C 31.83 . . 873 108 108 VAL N N 120.38 . . 874 109 109 PHE H H 9.07 . . 875 109 109 PHE HA H 4.02 . . 876 109 109 PHE HB2 H 3.04 . . 877 109 109 PHE HD2 H 7.20 . . 878 109 109 PHE HE2 H 6.85 . . 879 109 109 PHE CA C 62.40 . . 880 109 109 PHE CB C 39.44 . . 881 109 109 PHE CG C 129.26 . . 882 109 109 PHE CD1 C 128.8 . . 883 109 109 PHE CD2 C 128.8 . . 884 109 109 PHE CE1 C 126.8 . . 885 109 109 PHE CE2 C 126.8 . . 886 109 109 PHE N N 119.22 . . 887 110 110 GLU H H 8.55 . . 888 110 110 GLU HA H 4.00 . . 889 110 110 GLU HB2 H 2.16 . . 890 110 110 GLU HG2 H 2.81 . . 891 110 110 GLU HG3 H 2.52 . . 892 110 110 GLU CA C 59.56 . . 893 110 110 GLU CB C 30.21 . . 894 110 110 GLU CG C 37.07 . . 895 110 110 GLU N N 116.37 . . 896 111 111 GLN H H 7.34 . . 897 111 111 GLN HA H 4.11 . . 898 111 111 GLN HB2 H 2.17 . . 899 111 111 GLN HG2 H 2.50 . . 900 111 111 GLN HG3 H 2.42 . . 901 111 111 GLN CA C 57.72 . . 902 111 111 GLN CB C 29.02 . . 903 111 111 GLN CG C 33.52 . . 904 111 111 GLN N N 115.14 . . 905 112 112 GLU H H 7.94 . . 906 112 112 GLU HA H 4.10 . . 907 112 112 GLU HB2 H 1.76 . . 908 112 112 GLU HG2 H 2.49 . . 909 112 112 GLU HG3 H 2.01 . . 910 112 112 GLU CA C 57.52 . . 911 112 112 GLU CB C 29.73 . . 912 112 112 GLU CG C 35.65 . . 913 112 112 GLU N N 116.60 . . 914 113 113 ILE H H 8.84 . . 915 113 113 ILE HA H 4.08 . . 916 113 113 ILE HG2 H 1.22 . . 917 113 113 ILE CA C 59.16 . . 918 113 113 ILE CB C 37.78 . . 919 113 113 ILE CD1 C 20.03 . . 920 113 113 ILE N N 117.68 . . 921 114 114 ASP H H 7.00 . . 922 114 114 ASP HA H 4.55 . . 923 114 114 ASP HB2 H 2.68 . . 924 114 114 ASP CA C 59.09 . . 925 114 114 ASP CB C 38.97 . . 926 114 114 ASP N N 122.61 . . 927 115 115 PRO HA H 4.26 . . 928 115 115 PRO HB2 H 1.85 . . 929 115 115 PRO HG2 H 2.04 . . 930 115 115 PRO HD2 H 3.76 . . 931 115 115 PRO HD3 H 3.52 . . 932 115 115 PRO CA C 65.48 . . 933 115 115 PRO CB C 30.92 . . 934 115 115 PRO CG C 28.48 . . 935 115 115 PRO CD C 50.09 . . 936 116 116 VAL H H 6.57 . . 937 116 116 VAL HA H 3.68 . . 938 116 116 VAL HG2 H 1.03 . . 939 116 116 VAL CA C 65.72 . . 940 116 116 VAL CB C 31.82 . . 941 116 116 VAL N N 117.99 . . 942 117 117 MET H H 8.45 . . 943 117 117 MET HA H 4.31 . . 944 117 117 MET HB2 H 1.99 . . 945 117 117 MET HG2 H 2.62 . . 946 117 117 MET HG3 H 2.51 . . 947 117 117 MET HE H 1.52 . . 948 117 117 MET CA C 56.72 . . 949 117 117 MET CB C 29.97 . . 950 117 117 MET CG C 32.81 . . 951 117 117 MET CE C 16.01 . . 952 117 117 MET N N 118.53 . . 953 118 118 GLN H H 8.02 . . 954 118 118 GLN HA H 4.11 . . 955 118 118 GLN HB2 H 2.07 . . 956 118 118 GLN HG2 H 2.51 . . 957 118 118 GLN HG3 H 2.42 . . 958 118 118 GLN CA C 58.62 . . 959 118 118 GLN CB C 28.08 . . 960 118 118 GLN CG C 34.00 . . 961 118 118 GLN N N 118.07 . . 962 119 119 SER H H 7.59 . . 963 119 119 SER HA H 4.39 . . 964 119 119 SER CA C 58.15 . . 965 119 119 SER CB C 63.95 . . 966 119 119 SER N N 113.91 . . 967 120 120 LEU H H 7.60 . . 968 120 120 LEU HA H 4.43 . . 969 120 120 LEU HB2 H 1.63 . . 970 120 120 LEU HD2 H 0.61 . . 971 120 120 LEU CA C 55.54 . . 972 120 120 LEU CB C 42.58 . . 973 120 120 LEU CG C 26.18 . . 974 120 120 LEU CD1 C 25.60 . . 975 120 120 LEU CD2 C 25.60 . . 976 120 120 LEU N N 121.84 . . 977 121 121 GLY H H 7.60 . . 978 121 121 GLY HA2 H 3.88 . . 979 121 121 GLY HA3 H 3.88 . . 980 121 121 GLY CA C 46.31 . . 981 121 121 GLY N N 112.59 . . stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_1 _Sample_conditions_label $conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 7110 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $conditions_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>! >>! >>!The last digit in peak ID is the spectrum number >> >>ASSI { 03} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 03 weight 0.1000E+01 volume 360.32990 ppm1 6.604 ppm2 6.710 >>ASSI { 23} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 23 weight 0.1000E+01 volume 29.26870 ppm1 7.016 ppm2 7.399 >>ASSI { 33} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 33 weight 0.1000E+01 volume 858.95251 ppm1 6.592 ppm2 6.937 >>ASSI { 43} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 43 weight 0.1000E+01 volume 24.16150 ppm1 6.126 ppm2 5.400 >>ASSI { 53} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 53 weight 0.1000E+01 volume 279.32040 ppm1 6.695 ppm2 6.925 >>ASSI { 63} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 63 weight 0.1000E+01 volume 177.67349 ppm1 7.176 ppm2 7.034 >>ASSI { 73} >> (( segid "PROT" and resid 101 and name HZ )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 73 weight 0.1000E+01 volume 694.11133 ppm1 7.122 ppm2 7.305 >>ASSI { 83} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 83 weight 0.1000E+01 volume 407.26410 ppm1 7.078 ppm2 7.302 >>ASSI { 93} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 93 weight 0.1000E+01 volume 111.21780 ppm1 6.835 ppm2 7.180 >>ASSI { 103} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 103 weight 0.1000E+01 volume 393.20251 ppm1 7.018 ppm2 7.341 >>ASSI { 113} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 113 weight 0.1000E+01 volume 525.34351 ppm1 7.299 ppm2 7.091 >>ASSI { 123} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 123 weight 0.1000E+01 volume 104.53210 ppm1 4.486 ppm2 7.083 >>ASSI { 133} >> (( segid "PROT" and resid 85 and name HA )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 133 weight 0.1000E+01 volume 157.45720 ppm1 4.173 ppm2 6.048 >>ASSI { 143} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 101 and name HZ )) >> 6 6 0 peak 143 weight 0.1000E+01 volume 471.72031 ppm1 7.299 ppm2 7.130 >>ASSI { 153} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 153 weight 0.1000E+01 volume 112.35230 ppm1 7.176 ppm2 6.846 >>ASSI { 163} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 163 weight 0.1000E+01 volume 344.82990 ppm1 7.337 ppm2 7.019 >>ASSI { 173} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 173 weight 0.1000E+01 volume 46.63500 ppm1 3.226 ppm2 7.024 >>ASSI { 183} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 183 weight 0.1000E+01 volume 52.46980 ppm1 3.083 ppm2 7.467 >>ASSI { 193} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 193 weight 0.1000E+01 volume 101.85690 ppm1 0.889 ppm2 6.073 >>ASSI { 203} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 203 weight 0.1000E+01 volume 402.64359 ppm1 7.708 ppm2 7.467 >>ASSI { 213} >> (( segid "PROT" and resid 75 and name HZ2 )) >> (( segid "PROT" and resid 75 and name HH2 )) >> 6 6 0 peak 213 weight 0.1000E+01 volume 553.00739 ppm1 7.473 ppm2 7.250 >>ASSI { 223} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 223 weight 0.1000E+01 volume 45.19910 ppm1 7.491 ppm2 6.969 >>ASSI { 233} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 233 weight 0.1000E+01 volume 47.52040 ppm1 7.235 ppm2 6.968 >>ASSI { 243} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 243 weight 0.1000E+01 volume 341.10309 ppm1 7.537 ppm2 7.180 >>ASSI { 253} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 253 weight 0.1000E+01 volume 145.51089 ppm1 7.884 ppm2 7.498 >>ASSI { 263} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 263 weight 0.1000E+01 volume 35.12580 ppm1 7.240 ppm2 7.502 >>ASSI { 273} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 273 weight 0.1000E+01 volume 119.33470 ppm1 6.956 ppm2 7.500 >>ASSI { 283} >> (( segid "PROT" and resid 75 and name HZ3 )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 283 weight 0.1000E+01 volume 290.83221 ppm1 7.170 ppm2 7.540 >>ASSI { 293} >> (( segid "PROT" and resid 82 and name HZ3 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 293 weight 0.1000E+01 volume 262.06531 ppm1 7.490 ppm2 7.888 >>ASSI { 313} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 313 weight 0.1000E+01 volume 255.35291 ppm1 6.921 ppm2 6.693 >>ASSI { 323} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 323 weight 0.1000E+01 volume 53.00630 ppm1 7.176 ppm2 6.605 >>ASSI { 333} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 333 weight 0.1000E+01 volume 92.99380 ppm1 6.847 ppm2 6.606 >>ASSI { 343} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 343 weight 0.1000E+01 volume 1003.55219 ppm1 6.928 ppm2 6.602 >>ASSI { 353} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 353 weight 0.1000E+01 volume 109.10160 ppm1 7.389 ppm2 6.142 >>ASSI { 363} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 363 weight 0.1000E+01 volume 45.54350 ppm1 6.925 ppm2 6.144 >>ASSI { 373} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 373 weight 0.1000E+01 volume 149.37740 ppm1 5.407 ppm2 6.138 >>ASSI { 383} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 383 weight 0.1000E+01 volume 517.71143 ppm1 7.459 ppm2 7.711 >>ASSI { 393} >> (( segid "PROT" and resid 75 and name HH2 )) >> (( segid "PROT" and resid 75 and name HZ2 )) >> 6 6 0 peak 393 weight 0.1000E+01 volume 387.80649 ppm1 7.245 ppm2 7.478 >>ASSI { 403} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 403 weight 0.1000E+01 volume 166.28860 ppm1 1.762 ppm2 6.705 >>ASSI { 413} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 413 weight 0.1000E+01 volume 155.58611 ppm1 1.151 ppm2 6.712 >>ASSI { 423} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 423 weight 0.1000E+01 volume 24.91960 ppm1 0.495 ppm2 6.708 >>ASSI { 433} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 433 weight 0.1000E+01 volume 60.00310 ppm1 0.224 ppm2 6.706 >>ASSI { 443} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 443 weight 0.1000E+01 volume 201.22240 ppm1 1.847 ppm2 6.932 >>ASSI { 453} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 453 weight 0.1000E+01 volume 204.04240 ppm1 1.089 ppm2 6.939 >>ASSI { 463} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 463 weight 0.1000E+01 volume 76.45090 ppm1 0.372 ppm2 7.399 >>ASSI { 473} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 473 weight 0.1000E+01 volume 203.09460 ppm1 0.987 ppm2 6.923 >>ASSI { 483} >> (( segid "PROT" and resid 98 and name HG1# )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 483 weight 0.1000E+01 volume 58.39920 ppm1 0.826 ppm2 6.923 >>ASSI { 493} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 493 weight 0.1000E+01 volume 52.18500 ppm1 0.569 ppm2 6.929 >>ASSI { 503} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 503 weight 0.1000E+01 volume 49.62030 ppm1 0.884 ppm2 7.034 >>ASSI { 513} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 513 weight 0.1000E+01 volume 47.77270 ppm1 0.875 ppm2 7.179 >>ASSI { 523} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 523 weight 0.1000E+01 volume 371.62430 ppm1 1.740 ppm2 7.348 >>ASSI { 533} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 533 weight 0.1000E+01 volume 394.55231 ppm1 1.251 ppm2 7.467 >>ASSI { 543} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 543 weight 0.1000E+01 volume 30.05340 ppm1 0.909 ppm2 7.463 >>ASSI { 553} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 553 weight 0.1000E+01 volume 63.13680 ppm1 0.911 ppm2 6.966 >>ASSI { 563} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 563 weight 0.1000E+01 volume 80.19500 ppm1 0.983 ppm2 6.699 >>ASSI { 573} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 573 weight 0.1000E+01 volume 102.77530 ppm1 0.905 ppm2 6.696 >>ASSI { 583} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 583 weight 0.1000E+01 volume 98.71250 ppm1 1.153 ppm2 6.601 >>ASSI { 593} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 593 weight 0.1000E+01 volume 107.24310 ppm1 0.873 ppm2 6.604 >>ASSI { 603} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 603 weight 0.1000E+01 volume 16.83300 ppm1 0.491 ppm2 6.603 >>ASSI { 613} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 613 weight 0.1000E+01 volume 128.71291 ppm1 1.993 ppm2 6.600 >>ASSI { 623} >> (( segid "PROT" and resid 36 and name HB2 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 623 weight 0.1000E+01 volume 251.29359 ppm1 1.874 ppm2 6.598 >>ASSI { 633} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 633 weight 0.1000E+01 volume 11.81070 ppm1 1.760 ppm2 6.603 >>ASSI { 643} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 643 weight 0.1000E+01 volume 107.11890 ppm1 1.307 ppm2 6.600 >>ASSI { 653} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 653 weight 0.1000E+01 volume 392.56369 ppm1 1.088 ppm2 6.599 >>ASSI { 663} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 663 weight 0.1000E+01 volume 30.38270 ppm1 0.720 ppm2 6.604 >>ASSI { 673} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 673 weight 0.1000E+01 volume 100.70610 ppm1 0.221 ppm2 6.599 >>ASSI { 683} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 683 weight 0.1000E+01 volume 82.65160 ppm1 0.723 ppm2 6.141 >>ASSI { 693} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 693 weight 0.1000E+01 volume 179.43581 ppm1 0.910 ppm2 6.952 >>ASSI { 703} >> (( segid "PROT" and resid 103 and name HA )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 703 weight 0.1000E+01 volume 59.76920 ppm1 4.436 ppm2 6.952 >>ASSI { 713} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 713 weight 0.1000E+01 volume 9.54920 ppm1 1.740 ppm2 7.024 >>ASSI { 723} >> (( segid "PROT" and resid 98 and name HG1# )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 723 weight 0.1000E+01 volume 13.20740 ppm1 0.782 ppm2 7.024 >>ASSI { 733} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 733 weight 0.1000E+01 volume 9.40450 ppm1 3.975 ppm2 7.467 >>ASSI { 743} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 743 weight 0.1000E+01 volume 28.15650 ppm1 3.262 ppm2 7.472 >>ASSI { 753} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 753 weight 0.1000E+01 volume 9.46650 ppm1 6.692 ppm2 6.141 >>ASSI { 763} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 763 weight 0.1000E+01 volume 3.03520 ppm1 4.117 ppm2 6.140 >>ASSI { 773} >> (( segid "PROT" and resid 49 and name HA )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 773 weight 0.1000E+01 volume 8.38550 ppm1 3.577 ppm2 6.139 >>ASSI { 783} >> (( segid "PROT" and resid 91 and name HB2 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 783 weight 0.1000E+01 volume 5.32280 ppm1 2.887 ppm2 6.127 >>ASSI { 793} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 793 weight 0.1000E+01 volume 2.00880 ppm1 2.979 ppm2 6.129 >>ASSI { 803} >> (( segid "PROT" and resid 49 and name HB1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 803 weight 0.1000E+01 volume 4.38020 ppm1 2.732 ppm2 6.140 >>ASSI { 813} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 813 weight 0.1000E+01 volume 6.78070 ppm1 2.432 ppm2 6.141 >>ASSI { 823} >> (( segid "PROT" and resid 56 and name HB2 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 823 weight 0.1000E+01 volume 13.17170 ppm1 2.126 ppm2 6.141 >>ASSI { 833} >> (( segid "PROT" and resid 49 and name HB2 )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 833 weight 0.1000E+01 volume 14.76310 ppm1 1.967 ppm2 6.142 >>ASSI { 843} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 843 weight 0.1000E+01 volume 11.76440 ppm1 6.136 ppm2 6.928 >>ASSI { 853} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 853 weight 0.1000E+01 volume 3.42210 ppm1 5.417 ppm2 7.419 >>ASSI { 863} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 863 weight 0.1000E+01 volume 13.24090 ppm1 6.137 ppm2 7.414 >>ASSI { 873} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 873 weight 0.1000E+01 volume 81.16650 ppm1 4.965 ppm2 7.425 >>ASSI { 883} >> (( segid "PROT" and resid 50 and name HB1 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 883 weight 0.1000E+01 volume 37.69850 ppm1 3.459 ppm2 7.426 >>ASSI { 893} >> (( segid "PROT" and resid 50 and name HB2 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 893 weight 0.1000E+01 volume 18.51510 ppm1 2.923 ppm2 7.420 >>ASSI { 903} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 903 weight 0.1000E+01 volume 297.80399 ppm1 7.333 ppm2 7.397 >>ASSI { 913} >> (( segid "PROT" and resid 32 and name HA )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 913 weight 0.1000E+01 volume 55.12980 ppm1 4.348 ppm2 7.402 >>ASSI { 923} >> (( segid "PROT" and resid 35 and name HA )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 923 weight 0.1000E+01 volume 62.60780 ppm1 4.735 ppm2 7.396 >>ASSI { 933} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 933 weight 0.1000E+01 volume 6.27260 ppm1 4.300 ppm2 7.115 >>ASSI { 943} >> (( segid "PROT" and resid 89 and name HD1 )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 943 weight 0.1000E+01 volume 11.27490 ppm1 5.003 ppm2 7.115 >>ASSI { 953} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 953 weight 0.1000E+01 volume 10.89360 ppm1 3.768 ppm2 7.122 >>ASSI { 963} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 963 weight 0.1000E+01 volume 5.37280 ppm1 5.408 ppm2 6.700 >>ASSI { 973} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 973 weight 0.1000E+01 volume 11.05110 ppm1 6.138 ppm2 6.700 >>ASSI { 983} >> (( segid "PROT" and resid 49 and name HA )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 983 weight 0.1000E+01 volume 22.01280 ppm1 3.567 ppm2 6.696 >>ASSI { 993} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 993 weight 0.1000E+01 volume 15.59940 ppm1 3.994 ppm2 6.701 >>ASSI { 1003} >> (( segid "PROT" and resid 91 and name HB2 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 1003 weight 0.1000E+01 volume 11.38730 ppm1 2.889 ppm2 6.699 >>ASSI { 1013} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 1013 weight 0.1000E+01 volume 3.01630 ppm1 2.962 ppm2 6.698 >>ASSI { 1023} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 1023 weight 0.1000E+01 volume 78.02820 ppm1 4.003 ppm2 6.928 >>ASSI { 1033} >> (( segid "PROT" and resid 77 and name HA )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1033 weight 0.1000E+01 volume 39.07370 ppm1 3.375 ppm2 6.710 >>ASSI { 1043} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1043 weight 0.1000E+01 volume 4.49950 ppm1 4.180 ppm2 6.716 >>ASSI { 1053} >> (( segid "PROT" and resid 26 and name HA )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 1053 weight 0.1000E+01 volume 36.75700 ppm1 3.698 ppm2 6.933 >>ASSI { 1063} >> (( segid "PROT" and resid 9 and name HA )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 1063 weight 0.1000E+01 volume 38.15110 ppm1 4.629 ppm2 7.317 >>ASSI { 1073} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 1073 weight 0.1000E+01 volume 6.92420 ppm1 4.268 ppm2 7.314 >>ASSI { 1083} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 1083 weight 0.1000E+01 volume 12.75670 ppm1 4.487 ppm2 7.298 >>ASSI { 1093} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 1093 weight 0.1000E+01 volume 13.08390 ppm1 4.542 ppm2 7.463 >>ASSI { 1103} >> (( segid "PROT" and resid 103 and name HA )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 1103 weight 0.1000E+01 volume 25.44920 ppm1 4.438 ppm2 6.968 >>ASSI { 1113} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1113 weight 0.1000E+01 volume 3.37780 ppm1 -0.273 ppm2 6.714 >>ASSI { 1123} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1123 weight 0.1000E+01 volume 11.66760 ppm1 7.173 ppm2 6.708 >>ASSI { 1133} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1133 weight 0.1000E+01 volume 18.45030 ppm1 6.841 ppm2 6.712 >>ASSI { 1143} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 1143 weight 0.1000E+01 volume 9.75910 ppm1 -0.268 ppm2 6.607 >>ASSI { 1153} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 1153 weight 0.1000E+01 volume 4.55600 ppm1 7.016 ppm2 6.712 >>ASSI { 1163} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1163 weight 0.1000E+01 volume 11.45100 ppm1 6.599 ppm2 7.180 >>ASSI { 1173} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1173 weight 0.1000E+01 volume 4.43070 ppm1 6.050 ppm2 7.173 >>ASSI { 1183} >> (( segid "PROT" and resid 110 and name HA )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1183 weight 0.1000E+01 volume 7.37140 ppm1 4.027 ppm2 7.179 >>ASSI { 1203} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1203 weight 0.1000E+01 volume 14.32500 ppm1 3.050 ppm2 7.180 >>ASSI { 1213} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1213 weight 0.1000E+01 volume 19.26020 ppm1 6.049 ppm2 7.032 >>ASSI { 1223} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1223 weight 0.1000E+01 volume 36.61200 ppm1 4.020 ppm2 7.037 >>ASSI { 1233} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1233 weight 0.1000E+01 volume 18.70750 ppm1 3.328 ppm2 7.033 >>ASSI { 1243} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1243 weight 0.1000E+01 volume 27.19210 ppm1 3.053 ppm2 7.036 >>ASSI { 1253} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1253 weight 0.1000E+01 volume 8.89570 ppm1 -0.261 ppm2 7.177 >>ASSI { 1263} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1263 weight 0.1000E+01 volume 13.32840 ppm1 -0.273 ppm2 6.841 >>ASSI { 1273} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1273 weight 0.1000E+01 volume 16.86410 ppm1 7.034 ppm2 6.841 >>ASSI { 1283} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1283 weight 0.1000E+01 volume 9.63020 ppm1 6.707 ppm2 6.844 >>ASSI { 1293} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1293 weight 0.1000E+01 volume 13.34750 ppm1 6.607 ppm2 6.848 >>ASSI { 1303} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1303 weight 0.1000E+01 volume 12.78380 ppm1 6.834 ppm2 7.032 >>ASSI { 1313} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 1313 weight 0.1000E+01 volume 9.70360 ppm1 -1.498 ppm2 7.037 >>ASSI { 1323} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 1323 weight 0.1000E+01 volume 13.13480 ppm1 -1.510 ppm2 7.175 >>ASSI { 1333} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1333 weight 0.1000E+01 volume 5.29630 ppm1 -1.515 ppm2 6.843 >>ASSI { 1343} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1343 weight 0.1000E+01 volume 15.60040 ppm1 0.707 ppm2 6.845 >>ASSI { 1353} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1353 weight 0.1000E+01 volume 18.85260 ppm1 0.871 ppm2 6.848 >>ASSI { 1363} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1363 weight 0.1000E+01 volume 28.61850 ppm1 1.098 ppm2 6.846 >>ASSI { 1373} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1373 weight 0.1000E+01 volume 14.04240 ppm1 1.250 ppm2 6.848 >>ASSI { 1383} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 109 and name HZ )) >> 6 6 0 peak 1383 weight 0.1000E+01 volume 21.64650 ppm1 3.052 ppm2 6.851 >>ASSI { 1393} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 1393 weight 0.1000E+01 volume 18.15070 ppm1 3.975 ppm2 6.050 >>ASSI { 1403} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 1403 weight 0.1000E+01 volume 9.73810 ppm1 7.011 ppm2 6.047 >>ASSI { 1413} >> (( segid "PROT" and resid 82 and name HZ3 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 1413 weight 0.1000E+01 volume 8.71240 ppm1 7.465 ppm2 6.047 >>ASSI { 1423} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 1423 weight 0.1000E+01 volume 11.77730 ppm1 7.877 ppm2 6.048 >>ASSI { 1433} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 1433 weight 0.1000E+01 volume 18.92570 ppm1 2.475 ppm2 6.047 >>ASSI { 1443} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 1443 weight 0.1000E+01 volume 4.28080 ppm1 6.056 ppm2 7.342 >>ASSI { 1453} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1453 weight 0.1000E+01 volume 6.75480 ppm1 6.044 ppm2 7.459 >>ASSI { 1463} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 1463 weight 0.1000E+01 volume 7.28080 ppm1 6.031 ppm2 6.969 >>ASSI { 1473} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 1473 weight 0.1000E+01 volume 12.59970 ppm1 6.042 ppm2 7.495 >>ASSI { 1483} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1483 weight 0.1000E+01 volume 54.03160 ppm1 6.045 ppm2 7.890 >>ASSI { 1493} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1493 weight 0.1000E+01 volume 17.03460 ppm1 6.963 ppm2 7.885 >>ASSI { 1503} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1503 weight 0.1000E+01 volume 19.06910 ppm1 7.240 ppm2 7.886 >>ASSI { 1513} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1513 weight 0.1000E+01 volume 49.94480 ppm1 3.973 ppm2 7.888 >>ASSI { 1523} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1523 weight 0.1000E+01 volume 11.12090 ppm1 3.283 ppm2 7.890 >>ASSI { 1533} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 1533 weight 0.1000E+01 volume 20.94090 ppm1 3.099 ppm2 7.885 >>ASSI { 1543} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 1543 weight 0.1000E+01 volume 3.07270 ppm1 3.980 ppm2 7.516 >>ASSI { 1553} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 1553 weight 0.1000E+01 volume 6.78410 ppm1 7.882 ppm2 6.961 >>ASSI { 1563} >> (( segid "PROT" and resid 89 and name HE3 )) >> (( segid "PROT" and resid 89 and name HH2 )) >> 6 6 0 peak 1563 weight 0.1000E+01 volume 4.47010 ppm1 7.612 ppm2 6.968 >>ASSI { 1573} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 1573 weight 0.1000E+01 volume 15.86500 ppm1 7.710 ppm2 7.499 >>ASSI { 1583} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1583 weight 0.1000E+01 volume 14.92500 ppm1 7.885 ppm2 7.467 >>ASSI { 1593} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1593 weight 0.1000E+01 volume 16.30240 ppm1 6.961 ppm2 7.463 >>ASSI { 1603} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 89 and name HZ3 )) >> 6 6 0 peak 1603 weight 0.1000E+01 volume 18.93920 ppm1 6.956 ppm2 7.246 >>ASSI { 1613} >> (( segid "PROT" and resid 82 and name HZ3 )) >> (( segid "PROT" and resid 89 and name HZ3 )) >> 6 6 0 peak 1613 weight 0.1000E+01 volume 11.24990 ppm1 7.492 ppm2 7.243 >>ASSI { 1623} >> (( segid "PROT" and resid 89 and name HA )) >> (( segid "PROT" and resid 89 and name HE3 )) >> 6 6 0 peak 1623 weight 0.1000E+01 volume 5.44770 ppm1 4.787 ppm2 7.625 >>ASSI { 1633} >> (( segid "PROT" and resid 89 and name HB2 )) >> (( segid "PROT" and resid 89 and name HE3 )) >> 6 6 0 peak 1633 weight 0.1000E+01 volume 2.37250 ppm1 3.137 ppm2 7.629 >>ASSI { 1643} >> (( segid "PROT" and resid 89 and name HB1 )) >> (( segid "PROT" and resid 89 and name HE3 )) >> 6 6 0 peak 1643 weight 0.1000E+01 volume 5.18210 ppm1 3.319 ppm2 7.630 >>ASSI { 1653} >> (( segid "PROT" and resid 89 and name HE3 )) >> (( segid "PROT" and resid 89 and name HZ3 )) >> 6 6 0 peak 1653 weight 0.1000E+01 volume 11.39100 ppm1 7.609 ppm2 7.248 >>ASSI { 1663} >> (( segid "PROT" and resid 89 and name HA )) >> (( segid "PROT" and resid 89 and name HZ3 )) >> 6 6 0 peak 1663 weight 0.1000E+01 volume 3.26970 ppm1 4.782 ppm2 7.246 >>ASSI { 1673} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 1673 weight 0.1000E+01 volume 16.81570 ppm1 7.243 ppm2 6.954 >>ASSI { 1683} >> (( segid "PROT" and resid 82 and name HZ3 )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 1683 weight 0.1000E+01 volume 10.30540 ppm1 7.484 ppm2 6.958 >>ASSI { 1703} >> (( segid "PROT" and resid 103 and name HB1 )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 1703 weight 0.1000E+01 volume 16.66780 ppm1 4.241 ppm2 6.953 >>ASSI { 1713} >> (( segid "PROT" and resid 103 and name HB2 )) >> (( segid "PROT" and resid 89 and name HZ2 )) >> 6 6 0 peak 1713 weight 0.1000E+01 volume 17.74550 ppm1 4.095 ppm2 6.951 >>ASSI { 1723} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1723 weight 0.1000E+01 volume 20.52260 ppm1 4.191 ppm2 7.540 >>ASSI { 1733} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1733 weight 0.1000E+01 volume 9.22490 ppm1 3.877 ppm2 7.535 >>ASSI { 1743} >> (( segid "PROT" and resid 75 and name HB1 )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1743 weight 0.1000E+01 volume 12.47060 ppm1 3.591 ppm2 7.535 >>ASSI { 1753} >> (( segid "PROT" and resid 75 and name HB2 )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1753 weight 0.1000E+01 volume 10.43200 ppm1 3.233 ppm2 7.540 >>ASSI { 1763} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1763 weight 0.1000E+01 volume 15.38810 ppm1 2.263 ppm2 7.540 >>ASSI { 1773} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1773 weight 0.1000E+01 volume 14.37040 ppm1 1.093 ppm2 7.541 >>ASSI { 1783} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 1783 weight 0.1000E+01 volume 12.07910 ppm1 1.251 ppm2 7.541 >>ASSI { 1793} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1793 weight 0.1000E+01 volume 20.75540 ppm1 7.241 ppm2 7.461 >>ASSI { 1803} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1803 weight 0.1000E+01 volume 3.71660 ppm1 2.362 ppm2 7.469 >>ASSI { 1813} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1813 weight 0.1000E+01 volume 11.92500 ppm1 0.907 ppm2 7.711 >>ASSI { 1823} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1823 weight 0.1000E+01 volume 24.84300 ppm1 2.503 ppm2 7.715 >>ASSI { 1833} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1833 weight 0.1000E+01 volume 32.33500 ppm1 2.809 ppm2 7.705 >>ASSI { 1843} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1843 weight 0.1000E+01 volume 14.31700 ppm1 3.983 ppm2 7.705 >>ASSI { 1853} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1853 weight 0.1000E+01 volume 10.02480 ppm1 7.032 ppm2 7.706 >>ASSI { 1863} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1863 weight 0.1000E+01 volume 6.38680 ppm1 7.249 ppm2 7.701 >>ASSI { 1873} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 1873 weight 0.1000E+01 volume 8.82370 ppm1 7.175 ppm2 7.706 >>ASSI { 1883} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 1883 weight 0.1000E+01 volume 16.40660 ppm1 0.908 ppm2 7.502 >>ASSI { 1893} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1893 weight 0.1000E+01 volume 14.00460 ppm1 2.500 ppm2 7.465 >>ASSI { 1903} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 1903 weight 0.1000E+01 volume 9.82980 ppm1 2.807 ppm2 7.459 >>ASSI { 1913} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 1913 weight 0.1000E+01 volume 104.71670 ppm1 2.853 ppm2 7.316 >>ASSI { 1923} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 1923 weight 0.1000E+01 volume 19.54930 ppm1 0.257 ppm2 7.313 >>ASSI { 1933} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 1933 weight 0.1000E+01 volume 10.06310 ppm1 0.342 ppm2 7.320 >>ASSI { 1943} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 1943 weight 0.1000E+01 volume 5.36840 ppm1 4.247 ppm2 7.405 >>ASSI { 1953} >> (( segid "PROT" and resid 9 and name HA )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 1953 weight 0.1000E+01 volume 13.68100 ppm1 4.622 ppm2 7.395 >>ASSI { 1963} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 1963 weight 0.1000E+01 volume 7.92560 ppm1 0.226 ppm2 7.396 >>ASSI { 1973} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 1973 weight 0.1000E+01 volume 23.38520 ppm1 0.223 ppm2 6.941 >>ASSI { 1983} >> (( segid "PROT" and resid 88 and name HA )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 1983 weight 0.1000E+01 volume 2.94710 ppm1 4.344 ppm2 6.932 >>ASSI { 1993} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 1993 weight 0.1000E+01 volume 89.74170 ppm1 3.830 ppm2 7.400 >>ASSI { 2003} >> (( segid "PROT" and resid 84 and name HA )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 2003 weight 0.1000E+01 volume 14.97270 ppm1 3.642 ppm2 7.400 >>ASSI { 2013} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 2013 weight 0.1000E+01 volume 21.56760 ppm1 2.128 ppm2 7.405 >>ASSI { 2023} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 2023 weight 0.1000E+01 volume 12.46070 ppm1 1.964 ppm2 7.401 >>ASSI { 2033} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2033 weight 0.1000E+01 volume 23.85390 ppm1 0.900 ppm2 6.045 >>ASSI { 2043} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2043 weight 0.1000E+01 volume 16.57710 ppm1 1.211 ppm2 6.050 >>ASSI { 2053} >> (( segid "PROT" and resid 85 and name HB2 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2053 weight 0.1000E+01 volume 12.84680 ppm1 1.490 ppm2 6.047 >>ASSI { 2063} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2063 weight 0.1000E+01 volume 13.78530 ppm1 -1.502 ppm2 6.044 >>ASSI { 2073} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2073 weight 0.1000E+01 volume 13.96680 ppm1 7.028 ppm2 6.069 >>ASSI { 2083} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2083 weight 0.1000E+01 volume 14.52150 ppm1 -1.512 ppm2 6.061 >>ASSI { 2093} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2093 weight 0.1000E+01 volume 10.01960 ppm1 0.657 ppm2 6.073 >>ASSI { 2103} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2103 weight 0.1000E+01 volume 9.98660 ppm1 3.414 ppm2 6.078 >>ASSI { 2113} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2113 weight 0.1000E+01 volume 11.72290 ppm1 3.340 ppm2 6.083 >>ASSI { 2123} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2123 weight 0.1000E+01 volume 5.74800 ppm1 3.053 ppm2 6.079 >>ASSI { 2133} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 2133 weight 0.1000E+01 volume 16.11810 ppm1 4.189 ppm2 7.469 >>ASSI { 2143} >> (( segid "PROT" and resid 75 and name HB1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 2143 weight 0.1000E+01 volume 48.57950 ppm1 3.593 ppm2 7.465 >>ASSI { 2153} >> (( segid "PROT" and resid 71 and name HE1 )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 2153 weight 0.1000E+01 volume 10.82350 ppm1 6.543 ppm2 6.847 >>ASSI { 2163} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 2163 weight 0.1000E+01 volume 12.85230 ppm1 -0.381 ppm2 6.141 >>ASSI { 2173} >> (( segid "PROT" and resid 88 and name HA )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2173 weight 0.1000E+01 volume 10.19130 ppm1 4.348 ppm2 7.337 >>ASSI { 2183} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2183 weight 0.1000E+01 volume 13.46520 ppm1 0.376 ppm2 7.344 >>ASSI { 2193} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 2193 weight 0.1000E+01 volume 15.36300 ppm1 0.723 ppm2 6.700 >>ASSI { 2203} >> (( segid "PROT" and resid 98 and name HG1# )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 2203 weight 0.1000E+01 volume 22.47000 ppm1 0.829 ppm2 6.697 >>ASSI { 2213} >> (( segid "PROT" and resid 101 and name HB2 )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 2213 weight 0.1000E+01 volume 11.55130 ppm1 3.656 ppm2 7.344 >>ASSI { 2223} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2223 weight 0.1000E+01 volume 3.79500 ppm1 3.232 ppm2 7.339 >>ASSI { 2233} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 2233 weight 0.1000E+01 volume 13.17920 ppm1 7.401 ppm2 7.019 >>ASSI { 2243} >> (( segid "PROT" and resid 98 and name HG2# )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2243 weight 0.1000E+01 volume 18.17800 ppm1 0.780 ppm2 7.349 >>ASSI { 2253} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 2253 weight 0.1000E+01 volume 18.22450 ppm1 1.744 ppm2 7.402 >>ASSI { 2263} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 2263 weight 0.1000E+01 volume 8.17700 ppm1 1.588 ppm2 7.400 >>ASSI { 2273} >> (( segid "PROT" and resid 34 and name HB1 )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2273 weight 0.1000E+01 volume 1.69510 ppm1 2.091 ppm2 7.400 >>ASSI { 2293} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2293 weight 0.1000E+01 volume 15.27700 ppm1 0.560 ppm2 7.400 >>ASSI { 2303} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 2303 weight 0.1000E+01 volume 204.23750 ppm1 7.388 ppm2 7.319 >>ASSI { 2313} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 2313 weight 0.1000E+01 volume 190.56090 ppm1 2.881 ppm2 6.937 >>ASSI { 2333} >> (( segid "PROT" and resid 60 and name HB2 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2333 weight 0.1000E+01 volume 8.44270 ppm1 3.991 ppm2 6.599 >>ASSI { 2343} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2343 weight 0.1000E+01 volume 18.56720 ppm1 3.925 ppm2 6.600 >>ASSI { 2353} >> (( segid "PROT" and resid 26 and name HA )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2353 weight 0.1000E+01 volume 14.03130 ppm1 3.691 ppm2 6.600 >>ASSI { 2363} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2363 weight 0.1000E+01 volume 7.79850 ppm1 3.043 ppm2 6.599 >>ASSI { 2373} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2373 weight 0.1000E+01 volume 27.77020 ppm1 2.883 ppm2 6.599 >>ASSI { 2383} >> (( segid "PROT" and resid 101 and name HB1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2383 weight 0.1000E+01 volume 16.26880 ppm1 3.901 ppm2 7.082 >>ASSI { 2393} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2393 weight 0.1000E+01 volume 7.19890 ppm1 3.795 ppm2 7.082 >>ASSI { 2403} >> (( segid "PROT" and resid 101 and name HB2 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2403 weight 0.1000E+01 volume 10.44480 ppm1 3.638 ppm2 7.083 >>ASSI { 2413} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2413 weight 0.1000E+01 volume 5.09600 ppm1 3.259 ppm2 7.087 >>ASSI { 2423} >> (( segid "PROT" and resid 31 and name HG1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2423 weight 0.1000E+01 volume 1.23270 ppm1 2.290 ppm2 7.076 >>ASSI { 2433} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2433 weight 0.1000E+01 volume 12.69890 ppm1 2.048 ppm2 7.086 >>ASSI { 2443} >> (( segid "PROT" and resid 30 and name HG1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2443 weight 0.1000E+01 volume 13.87600 ppm1 1.921 ppm2 7.087 >>ASSI { 2453} >> (( segid "PROT" and resid 100 and name HD1 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2453 weight 0.1000E+01 volume 5.97060 ppm1 1.747 ppm2 7.076 >>ASSI { 2463} >> (( segid "PROT" and resid 100 and name HD2 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2463 weight 0.1000E+01 volume 4.45400 ppm1 1.664 ppm2 7.080 >>ASSI { 2473} >> (( segid "PROT" and resid 100 and name HG2 )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 2473 weight 0.1000E+01 volume 13.68880 ppm1 1.580 ppm2 7.087 >>ASSI { 2483} >> (( segid "PROT" and resid 30 and name HG2 )) >> (( segid "PROT" and resid 101 and name HZ )) >> 6 6 0 peak 2483 weight 0.1000E+01 volume 5.65000 ppm1 1.084 ppm2 7.130 >>ASSI { 2493} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 2493 weight 0.1000E+01 volume 15.94270 ppm1 2.979 ppm2 6.925 >>ASSI { 2503} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 2503 weight 0.1000E+01 volume 12.33240 ppm1 1.818 ppm2 6.696 >>ASSI { 2513} >> (( segid "PROT" and resid 52 and name HG11 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 2513 weight 0.1000E+01 volume 12.17100 ppm1 1.556 ppm2 6.699 >>ASSI { 2523} >> (( segid "PROT" and resid 52 and name HG12 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 2523 weight 0.1000E+01 volume 5.13400 ppm1 1.382 ppm2 6.699 >>ASSI { 2533} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 2533 weight 0.1000E+01 volume 6.05900 ppm1 2.996 ppm2 7.302 >>ASSI { 2543} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 2543 weight 0.1000E+01 volume 16.73420 ppm1 3.877 ppm2 7.346 >>ASSI { 2553} >> (( segid "PROT" and resid 99 and name HB1 )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 2553 weight 0.1000E+01 volume 25.71430 ppm1 3.394 ppm2 7.116 >>ASSI { 2563} >> (( segid "PROT" and resid 94 and name HA )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 2563 weight 0.1000E+01 volume 6.54030 ppm1 2.157 ppm2 7.118 >>ASSI { 2573} >> (( segid "PROT" and resid 99 and name HB2 )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 2573 weight 0.1000E+01 volume 22.30530 ppm1 2.582 ppm2 7.114 >>ASSI { 2583} >> (( segid "PROT" and resid 89 and name HA )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 2583 weight 0.1000E+01 volume 18.90820 ppm1 4.782 ppm2 7.116 >>ASSI { 2593} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 2593 weight 0.1000E+01 volume 14.41870 ppm1 0.432 ppm2 6.929 >>ASSI { 2613} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2613 weight 0.1000E+01 volume 6.34080 ppm1 1.201 ppm2 6.077 >>ASSI { 2623} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 2623 weight 0.1000E+01 volume 2.51530 ppm1 0.380 ppm2 6.077 >>ASSI { 2633} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 2633 weight 0.1000E+01 volume 7.69270 ppm1 0.909 ppm2 7.886 >>ASSI { 2643} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 2643 weight 0.1000E+01 volume 3.90740 ppm1 0.881 ppm2 7.464 >>ASSI { 2653} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 2653 weight 0.1000E+01 volume 20.78940 ppm1 1.758 ppm2 7.400 >>ASSI { 2663} >> (( segid "PROT" and resid 7 and name HD1 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 2663 weight 0.1000E+01 volume 17.76820 ppm1 1.498 ppm2 7.400 >>ASSI { 2683} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 2683 weight 0.1000E+01 volume 17.99800 ppm1 2.596 ppm2 7.400 >>ASSI { 2693} >> (( segid "PROT" and resid 3 and name HA )) >> (( segid "PROT" and resid 3 and name HD2 )) >> 6 6 0 peak 2693 weight 0.1000E+01 volume 11.59370 ppm1 4.598 ppm2 7.015 >>ASSI { 2703} >> (( segid "PROT" and resid 3 and name HB2 )) >> (( segid "PROT" and resid 3 and name HD2 )) >> 6 6 0 peak 2703 weight 0.1000E+01 volume 40.35570 ppm1 3.012 ppm2 7.015 >>ASSI { 2713} >> (( segid "PROT" and resid 3 and name HB1 )) >> (( segid "PROT" and resid 3 and name HD2 )) >> 6 6 0 peak 2713 weight 0.1000E+01 volume 22.31300 ppm1 3.100 ppm2 7.013 >>ASSI { 2723} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 2723 weight 0.1000E+01 volume 21.44140 ppm1 3.766 ppm2 7.368 >>ASSI { 2733} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 2733 weight 0.1000E+01 volume 43.64850 ppm1 1.747 ppm2 7.373 >>ASSI { 2743} >> (( segid "PROT" and resid 7 and name HD1 )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 2743 weight 0.1000E+01 volume 26.48100 ppm1 1.481 ppm2 7.377 >>ASSI { 2753} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 2753 weight 0.1000E+01 volume 38.47120 ppm1 1.606 ppm2 7.375 >>ASSI { 2763} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 2763 weight 0.1000E+01 volume 12.94970 ppm1 0.725 ppm2 6.714 >>ASSI { 2773} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 2773 weight 0.1000E+01 volume 10.90560 ppm1 0.873 ppm2 6.712 >>ASSI { 2783} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 2783 weight 0.1000E+01 volume 4.79630 ppm1 0.379 ppm2 6.042 >>ASSI { 2793} >> (( segid "PROT" and resid 63 and name HD1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 2793 weight 0.1000E+01 volume 3.81760 ppm1 1.444 ppm2 6.929 >>ASSI { 2803} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 2803 weight 0.1000E+01 volume 9.51900 ppm1 1.328 ppm2 6.928 >>ASSI { 2813} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 2813 weight 0.1000E+01 volume 12.24050 ppm1 0.339 ppm2 6.712 >>ASSI { 2823} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 2823 weight 0.1000E+01 volume 8.16790 ppm1 1.256 ppm2 6.712 >>ASSI { 2833} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 2833 weight 0.1000E+01 volume 8.61660 ppm1 0.336 ppm2 6.604 >>ASSI { 2843} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 2843 weight 0.1000E+01 volume 21.77880 ppm1 0.598 ppm2 6.142 >>ASSI { 2853} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 2853 weight 0.1000E+01 volume 15.73190 ppm1 1.006 ppm2 6.141 >>ASSI { 2863} >> (( segid "PROT" and resid 39 and name HB )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 2863 weight 0.1000E+01 volume 8.54270 ppm1 1.456 ppm2 6.141 >>ASSI { 2873} >> (( segid "PROT" and resid 99 and name HE1 )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 2873 weight 0.1000E+01 volume 7.56930 ppm1 7.034 ppm2 5.006 >>ASSI { 2883} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 2883 weight 0.1000E+01 volume 6.79780 ppm1 7.110 ppm2 5.005 >>ASSI { 2903} >> (( segid "PROT" and resid 89 and name HA )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 2903 weight 0.1000E+01 volume 28.94040 ppm1 4.795 ppm2 5.009 >>ASSI { 2913} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 2913 weight 0.1000E+01 volume 1.28860 ppm1 3.770 ppm2 5.008 >>ASSI { 2923} >> (( segid "PROT" and resid 36 and name HB1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2923 weight 0.1000E+01 volume 34.39700 ppm1 2.147 ppm2 6.599 >>ASSI { 2933} >> (( segid "PROT" and resid 63 and name HD1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2933 weight 0.1000E+01 volume 31.58030 ppm1 1.448 ppm2 6.600 >>ASSI { 2943} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2943 weight 0.1000E+01 volume 23.34440 ppm1 0.567 ppm2 6.603 >>ASSI { 2953} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2953 weight 0.1000E+01 volume 8.60110 ppm1 3.184 ppm2 6.599 >>ASSI { 2963} >> (( segid "PROT" and resid 60 and name HB1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2963 weight 0.1000E+01 volume 4.97370 ppm1 4.322 ppm2 6.596 >>ASSI { 2973} >> (( segid "PROT" and resid 60 and name HA )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 2973 weight 0.1000E+01 volume 4.69180 ppm1 4.220 ppm2 6.600 >>ASSI { 2993} >> (( segid "PROT" and resid 36 and name HB1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 2993 weight 0.1000E+01 volume 18.91360 ppm1 2.129 ppm2 6.927 >>ASSI { 3003} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 3003 weight 0.1000E+01 volume 5.35800 ppm1 1.213 ppm2 7.399 >>ASSI { 3023} >> (( segid "PROT" and resid 13 and name HB1 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 3023 weight 0.1000E+01 volume 4.72520 ppm1 2.420 ppm2 7.315 >>ASSI { 3033} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 3033 weight 0.1000E+01 volume 11.89200 ppm1 2.181 ppm2 7.317 >>ASSI { 3043} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HH2 )) >> 6 6 0 peak 3043 weight 0.1000E+01 volume 4.46840 ppm1 3.984 ppm2 7.459 >>ASSI { 3053} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 3053 weight 0.1000E+01 volume 5.63210 ppm1 3.779 ppm2 7.393 >>ASSI { 3073} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 3073 weight 0.1000E+01 volume 8.17260 ppm1 1.090 ppm2 7.393 >>ASSI { 3093} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 3093 weight 0.1000E+01 volume 4.88290 ppm1 1.401 ppm2 7.319 >>ASSI { 3113} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3113 weight 0.1000E+01 volume 26.53760 ppm1 1.097 ppm2 7.468 >>ASSI { 3123} >> (( segid "PROT" and resid 73 and name HB1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3123 weight 0.1000E+01 volume 14.56770 ppm1 2.174 ppm2 7.469 >>ASSI { 3133} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3133 weight 0.1000E+01 volume 8.19530 ppm1 3.744 ppm2 7.468 >>ASSI { 3143} >> (( segid "PROT" and resid 31 and name HA )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 3143 weight 0.1000E+01 volume 10.29240 ppm1 2.566 ppm2 7.089 >>ASSI { 3153} >> (( segid "PROT" and resid 92 and name HB1 )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 3153 weight 0.1000E+01 volume 7.46490 ppm1 3.098 ppm2 7.116 >>ASSI { 3163} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 3163 weight 0.1000E+01 volume 8.17780 ppm1 2.367 ppm2 7.714 >>ASSI { 3173} >> (( segid "PROT" and resid 110 and name HB2 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 3173 weight 0.1000E+01 volume 4.81820 ppm1 2.156 ppm2 7.711 >>ASSI { 3183} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 3183 weight 0.1000E+01 volume 6.27040 ppm1 0.702 ppm2 7.705 >>ASSI { 3193} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 3193 weight 0.1000E+01 volume 2.26880 ppm1 6.055 ppm2 7.704 >>ASSI { 3203} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 3203 weight 0.1000E+01 volume 7.47750 ppm1 6.961 ppm2 7.713 >>ASSI { 3213} >> (( segid "PROT" and resid 75 and name HZ3 )) >> (( segid "PROT" and resid 75 and name HZ2 )) >> 6 6 0 peak 3213 weight 0.1000E+01 volume 13.28850 ppm1 7.179 ppm2 7.477 >>ASSI { 3263} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 3263 weight 0.1000E+01 volume 27.13490 ppm1 0.434 ppm2 6.139 >>ASSI { 3273} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3273 weight 0.1000E+01 volume 6.39790 ppm1 -1.515 ppm2 6.607 >>ASSI { 3293} >> (( segid "PROT" and resid 71 and name HB1 )) >> (( segid "PROT" and resid 71 and name HE1 )) >> 6 6 0 peak 3293 weight 0.1000E+01 volume 6.64500 ppm1 2.780 ppm2 6.597 >>ASSI { 3303} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 3303 weight 0.1000E+01 volume 22.70720 ppm1 1.706 ppm2 6.599 >>ASSI { 3313} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3313 weight 0.1000E+01 volume 15.42180 ppm1 0.827 ppm2 6.605 >>ASSI { 3323} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3323 weight 0.1000E+01 volume 20.62350 ppm1 1.271 ppm2 6.598 >>ASSI { 3333} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3333 weight 0.1000E+01 volume 4.29110 ppm1 4.187 ppm2 6.603 >>ASSI { 3343} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3343 weight 0.1000E+01 volume 2.68400 ppm1 4.301 ppm2 6.603 >>ASSI { 3353} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 3353 weight 0.1000E+01 volume 7.21090 ppm1 7.024 ppm2 6.610 >>ASSI { 3363} >> (( segid "PROT" and resid 49 and name HB1 )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 3363 weight 0.1000E+01 volume 3.43060 ppm1 2.737 ppm2 6.697 >>ASSI { 3373} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 3373 weight 0.1000E+01 volume 9.95890 ppm1 0.434 ppm2 6.703 >>ASSI { 3403} >> (( segid "PROT" and resid 85 and name HA )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 3403 weight 0.1000E+01 volume 3.96140 ppm1 4.183 ppm2 7.888 >>ASSI { 3413} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 3413 weight 0.1000E+01 volume 10.47910 ppm1 2.478 ppm2 7.882 >>ASSI { 3423} >> (( segid "PROT" and resid 85 and name HB2 )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 3423 weight 0.1000E+01 volume 5.80210 ppm1 1.458 ppm2 7.889 >>ASSI { 3433} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 82 and name HE3 )) >> 6 6 0 peak 3433 weight 0.1000E+01 volume 1.28500 ppm1 -1.511 ppm2 7.890 >>ASSI { 3443} >> (( segid "PROT" and resid 75 and name HH2 )) >> (( segid "PROT" and resid 75 and name HE3 )) >> 6 6 0 peak 3443 weight 0.1000E+01 volume 7.32280 ppm1 7.233 ppm2 7.534 >>ASSI { 3453} >> (( segid "PROT" and resid 89 and name HE3 )) >> (( segid "PROT" and resid 82 and name HZ3 )) >> 6 6 0 peak 3453 weight 0.1000E+01 volume 19.88570 ppm1 7.608 ppm2 7.497 >>ASSI { 3463} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 3463 weight 0.1000E+01 volume 11.91010 ppm1 1.102 ppm2 7.181 >>ASSI { 3473} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 3473 weight 0.1000E+01 volume 12.65630 ppm1 1.251 ppm2 7.174 >>ASSI { 3493} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 3493 weight 0.1000E+01 volume 2.24850 ppm1 2.252 ppm2 7.177 >>ASSI { 3503} >> (( segid "PROT" and resid 75 and name HH2 )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 3503 weight 0.1000E+01 volume 63.40260 ppm1 7.242 ppm2 7.176 >>ASSI { 3513} >> (( segid "PROT" and resid 75 and name HZ2 )) >> (( segid "PROT" and resid 75 and name HZ3 )) >> 6 6 0 peak 3513 weight 0.1000E+01 volume 19.41750 ppm1 7.478 ppm2 7.175 >>ASSI { 3523} >> (( segid "PROT" and resid 89 and name HB2 )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 3523 weight 0.1000E+01 volume 1.75700 ppm1 3.060 ppm2 5.008 >>ASSI { 3533} >> (( segid "PROT" and resid 75 and name HZ3 )) >> (( segid "PROT" and resid 75 and name HH2 )) >> 6 6 0 peak 3533 weight 0.1000E+01 volume 35.35650 ppm1 7.176 ppm2 7.250 >>ASSI { 3543} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 75 and name HH2 )) >> 6 6 0 peak 3543 weight 0.1000E+01 volume 8.72360 ppm1 1.104 ppm2 7.242 >>ASSI { 3553} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 75 and name HH2 )) >> 6 6 0 peak 3553 weight 0.1000E+01 volume 4.83370 ppm1 1.248 ppm2 7.259 >>ASSI { 3573} >> (( segid "PROT" and resid 85 and name HB2 )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 3573 weight 0.1000E+01 volume 7.35570 ppm1 1.495 ppm2 6.081 >>ASSI { 3583} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 3583 weight 0.1000E+01 volume 5.27600 ppm1 0.554 ppm2 6.077 >>ASSI { 3593} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3593 weight 0.1000E+01 volume 20.85820 ppm1 7.176 ppm2 7.469 >>ASSI { 3603} >> (( segid "PROT" and resid 75 and name HB2 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3603 weight 0.1000E+01 volume 32.58340 ppm1 3.258 ppm2 7.468 >>ASSI { 3613} >> (( segid "PROT" and resid 73 and name HG2 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3613 weight 0.1000E+01 volume 23.91480 ppm1 2.248 ppm2 7.469 >>ASSI { 3623} >> (( segid "PROT" and resid 74 and name HG1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3623 weight 0.1000E+01 volume 7.29820 ppm1 1.763 ppm2 7.464 >>ASSI { 3633} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3633 weight 0.1000E+01 volume 13.47280 ppm1 1.399 ppm2 7.471 >>ASSI { 3643} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 3643 weight 0.1000E+01 volume 2.86290 ppm1 2.431 ppm2 7.472 >>ASSI { 3653} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3653 weight 0.1000E+01 volume 3.22880 ppm1 6.049 ppm2 7.464 >>ASSI { 3663} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3663 weight 0.1000E+01 volume 7.63380 ppm1 -1.518 ppm2 7.474 >>ASSI { 3673} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3673 weight 0.1000E+01 volume 4.67820 ppm1 7.882 ppm2 7.470 >>ASSI { 3683} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 3683 weight 0.1000E+01 volume 5.72200 ppm1 7.026 ppm2 7.470 >>ASSI { 3693} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 3693 weight 0.1000E+01 volume 3.96190 ppm1 3.769 ppm2 7.016 >>ASSI { 3703} >> (( segid "PROT" and resid 102 and name HB1 )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 3703 weight 0.1000E+01 volume 18.14690 ppm1 3.024 ppm2 7.026 >>ASSI { 3713} >> (( segid "PROT" and resid 102 and name HB2 )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 3713 weight 0.1000E+01 volume 18.32250 ppm1 2.693 ppm2 7.022 >>ASSI { 3723} >> (( segid "PROT" and resid 30 and name HG1 )) >> (( segid "PROT" and resid 101 and name HZ )) >> 6 6 0 peak 3723 weight 0.1000E+01 volume 9.17430 ppm1 1.906 ppm2 7.130 >>ASSI { 3733} >> (( segid "PROT" and resid 30 and name HB1 )) >> (( segid "PROT" and resid 101 and name HZ )) >> 6 6 0 peak 3733 weight 0.1000E+01 volume 20.57020 ppm1 2.084 ppm2 7.129 >>ASSI { 3743} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 101 and name HZ )) >> 6 6 0 peak 3743 weight 0.1000E+01 volume 9.75590 ppm1 2.990 ppm2 7.129 >>ASSI { 3763} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3763 weight 0.1000E+01 volume 7.58240 ppm1 3.416 ppm2 6.039 >>ASSI { 3773} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3773 weight 0.1000E+01 volume 3.81880 ppm1 3.347 ppm2 6.052 >>ASSI { 3783} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3783 weight 0.1000E+01 volume 6.21290 ppm1 3.056 ppm2 6.056 >>ASSI { 3793} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3793 weight 0.1000E+01 volume 7.97390 ppm1 1.414 ppm2 6.054 >>ASSI { 3803} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3803 weight 0.1000E+01 volume 12.69360 ppm1 1.089 ppm2 6.046 >>ASSI { 3813} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3813 weight 0.1000E+01 volume 4.28110 ppm1 0.562 ppm2 6.040 >>ASSI { 3823} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 3823 weight 0.1000E+01 volume 4.86520 ppm1 0.665 ppm2 6.049 >>ASSI { 3833} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 3833 weight 0.1000E+01 volume 12.86960 ppm1 2.672 ppm2 7.373 >>ASSI { 3843} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 3843 weight 0.1000E+01 volume 8.83760 ppm1 0.648 ppm2 7.374 >>ASSI { 3853} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 3853 weight 0.1000E+01 volume 12.76120 ppm1 0.591 ppm2 7.366 >>ASSI { 3873} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 3873 weight 0.1000E+01 volume 14.26990 ppm1 2.592 ppm2 7.346 >>ASSI { 3883} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 3883 weight 0.1000E+01 volume 16.79320 ppm1 2.092 ppm2 7.304 >>ASSI { 3913} >> (( segid "PROT" and resid 100 and name HG2 )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 3913 weight 0.1000E+01 volume 19.77330 ppm1 1.590 ppm2 7.310 >>ASSI { 3923} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3923 weight 0.1000E+01 volume 6.92720 ppm1 6.712 ppm2 7.188 >>ASSI { 3933} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3933 weight 0.1000E+01 volume 82.72220 ppm1 7.033 ppm2 7.183 >>ASSI { 3943} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3943 weight 0.1000E+01 volume 7.28030 ppm1 0.707 ppm2 7.179 >>ASSI { 3953} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3953 weight 0.1000E+01 volume 18.70630 ppm1 1.094 ppm2 7.183 >>ASSI { 3963} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3963 weight 0.1000E+01 volume 40.99420 ppm1 1.249 ppm2 7.178 >>ASSI { 3973} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 109 and name HE1 )) >> 6 6 0 peak 3973 weight 0.1000E+01 volume 7.90220 ppm1 7.461 ppm2 7.188 >>ASSI { 3983} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 3983 weight 0.1000E+01 volume 3.60670 ppm1 7.463 ppm2 7.019 >>ASSI { 3993} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 3993 weight 0.1000E+01 volume 4.80350 ppm1 3.408 ppm2 7.031 >>ASSI { 4003} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 4003 weight 0.1000E+01 volume 9.74840 ppm1 1.096 ppm2 7.045 >>ASSI { 4013} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 4013 weight 0.1000E+01 volume 12.90760 ppm1 1.256 ppm2 7.038 >>ASSI { 4023} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 4023 weight 0.1000E+01 volume 34.67000 ppm1 0.670 ppm2 7.037 >>ASSI { 4033} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4033 weight 0.1000E+01 volume 4.96470 ppm1 2.664 ppm2 7.393 >>ASSI { 4053} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4053 weight 0.1000E+01 volume 30.08520 ppm1 2.872 ppm2 7.398 >>ASSI { 4063} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 50 and name HE1 )) >> 6 6 0 peak 4063 weight 0.1000E+01 volume 8.56210 ppm1 2.421 ppm2 7.400 >>ASSI { 4073} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4073 weight 0.1000E+01 volume 4.93220 ppm1 2.176 ppm2 7.393 >>ASSI { 4083} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 50 and name HE1 )) >> 6 6 0 peak 4083 weight 0.1000E+01 volume 11.31690 ppm1 2.137 ppm2 7.396 >>ASSI { 4093} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4093 weight 0.1000E+01 volume 26.18260 ppm1 1.597 ppm2 7.397 >>ASSI { 4103} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4103 weight 0.1000E+01 volume 7.40870 ppm1 0.595 ppm2 7.396 >>ASSI { 4113} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4113 weight 0.1000E+01 volume 1.73480 ppm1 0.256 ppm2 7.379 >>ASSI { 4123} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4123 weight 0.1000E+01 volume 2.76800 ppm1 0.340 ppm2 7.396 >>ASSI { 4133} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4133 weight 0.1000E+01 volume 7.13370 ppm1 0.648 ppm2 7.327 >>ASSI { 4143} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4143 weight 0.1000E+01 volume 16.00390 ppm1 0.647 ppm2 7.397 >>ASSI { 4153} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4153 weight 0.1000E+01 volume 76.37480 ppm1 7.317 ppm2 7.391 >>ASSI { 4163} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4163 weight 0.1000E+01 volume 11.22890 ppm1 3.760 ppm2 7.319 >>ASSI { 4183} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4183 weight 0.1000E+01 volume 6.98570 ppm1 2.665 ppm2 7.324 >>ASSI { 4193} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4193 weight 0.1000E+01 volume 12.01320 ppm1 1.759 ppm2 7.326 >>ASSI { 4203} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4203 weight 0.1000E+01 volume 9.27780 ppm1 1.603 ppm2 7.322 >>ASSI { 4213} >> (( segid "PROT" and resid 7 and name HD1 )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 4213 weight 0.1000E+01 volume 15.70050 ppm1 1.522 ppm2 7.324 >>ASSI { 4223} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 9 and name HE1 )) >> 6 6 0 peak 4223 weight 0.1000E+01 volume 7.50420 ppm1 1.407 ppm2 7.386 >>ASSI { 4233} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 4233 weight 0.1000E+01 volume 11.75510 ppm1 0.911 ppm2 6.921 >>ASSI { 4253} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 4253 weight 0.1000E+01 volume 10.28260 ppm1 1.715 ppm2 6.927 >>ASSI { 4273} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 4273 weight 0.1000E+01 volume 4.84080 ppm1 3.171 ppm2 6.934 >>ASSI { 4283} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 4283 weight 0.1000E+01 volume 5.35520 ppm1 3.084 ppm2 6.930 >>ASSI { 4313} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 4313 weight 0.1000E+01 volume 11.22280 ppm1 0.830 ppm2 6.709 >>ASSI { 4323} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 4323 weight 0.1000E+01 volume 94.05120 ppm1 1.097 ppm2 6.710 >>ASSI { 4333} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 4333 weight 0.1000E+01 volume 31.24490 ppm1 2.637 ppm2 6.709 >>ASSI { 4353} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 71 and name HE1 )) >> 6 6 0 peak 4353 weight 0.1000E+01 volume 33.96520 ppm1 6.842 ppm2 6.563 >>ASSI { 4363} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 9 and name HZ )) >> 6 6 0 peak 4363 weight 0.1000E+01 volume 5.74060 ppm1 0.351 ppm2 7.355 >>ASSI { 4383} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4383 weight 0.1000E+01 volume 3.27970 ppm1 4.971 ppm2 7.376 >>ASSI { 4403} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4403 weight 0.1000E+01 volume 6.45480 ppm1 6.133 ppm2 7.384 >>ASSI { 4413} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4413 weight 0.1000E+01 volume 15.40450 ppm1 3.717 ppm2 7.375 >>ASSI { 4423} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 4423 weight 0.1000E+01 volume 6.00150 ppm1 3.737 ppm2 7.393 >>ASSI { 4433} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4433 weight 0.1000E+01 volume 4.48320 ppm1 1.966 ppm2 7.367 >>ASSI { 4443} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4443 weight 0.1000E+01 volume 5.41470 ppm1 2.129 ppm2 7.373 >>ASSI { 4453} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4453 weight 0.1000E+01 volume 4.24270 ppm1 2.438 ppm2 7.379 >>ASSI { 4463} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 50 and name HZ )) >> 6 6 0 peak 4463 weight 0.1000E+01 volume 4.37520 ppm1 1.077 ppm2 7.365 >>ASSI { 4473} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 50 and name HE1 )) >> 6 6 0 peak 4473 weight 0.1000E+01 volume 6.17830 ppm1 1.080 ppm2 7.386 >>ASSI { 4483} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 50 and name HE1 )) >> 6 6 0 peak 4483 weight 0.1000E+01 volume 5.11890 ppm1 1.955 ppm2 7.394 >>ASSI { 4503} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 85 and name HZ )) >> 6 6 0 peak 4503 weight 0.1000E+01 volume 14.29300 ppm1 7.026 ppm2 6.050 >>ASSI { 4513} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 85 and name HZ )) >> 6 6 0 peak 4513 weight 0.1000E+01 volume 12.32480 ppm1 0.373 ppm2 6.037 >>ASSI { 4523} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 85 and name HZ )) >> 6 6 0 peak 4523 weight 0.1000E+01 volume 8.00580 ppm1 0.560 ppm2 6.042 >>ASSI { 4533} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 85 and name HZ )) >> 6 6 0 peak 4533 weight 0.1000E+01 volume 11.04100 ppm1 0.665 ppm2 6.032 >>ASSI { 4543} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 85 and name HZ )) >> 6 6 0 peak 4543 weight 0.1000E+01 volume 21.68950 ppm1 0.896 ppm2 6.043 >>! F3 (1H): 0.05 ppm >>! F2 (X): 0.5 ppm >>! F1 (1H): 0.05 ppm >>!The last digit in peak ID is the spectrum number >>assi (( attr rmsd < 6.909 and attr rmsd > 6.809 ) >> and bondedto( attr rmsd < 131.102 and attr rmsd > 130.102 )) >> ( attr rmsd < 6.775 and attr rmsd > 6.675 ) >> 6 6 0 peak 13 volume 84.96270 ppm1 6.859 ppm2 6.725 >>assi (( attr rmsd < 7.068 and attr rmsd > 6.968 ) >> and bondedto( attr rmsd < 117.856 and attr rmsd > 116.856 )) >> ( attr rmsd < 6.762 and attr rmsd > 6.662 ) >> 6 6 0 peak 303 volume 44.21300 ppm1 7.018 ppm2 6.712 >>assi (( attr rmsd < 7.222 and attr rmsd > 7.122 ) >> and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) >> ( attr rmsd < 4.232 and attr rmsd > 4.132 ) >> 6 6 0 peak 1193 volume 6.23360 ppm1 7.172 ppm2 4.182 >>assi (( attr rmsd < 6.995 and attr rmsd > 6.895 ) >> and bondedto( attr rmsd < 112.172 and attr rmsd > 111.172 )) >> ( attr rmsd < 6.648 and attr rmsd > 6.548 ) >> 6 6 0 peak 1693 volume 6.43230 ppm1 6.945 ppm2 6.598 >>assi (( attr rmsd < 7.069 and attr rmsd > 6.969 ) >> and bondedto( attr rmsd < 126.528 and attr rmsd > 125.528 )) >> ( attr rmsd < 1.661 and attr rmsd > 1.561 ) >> 6 6 0 peak 2283 volume 5.77520 ppm1 7.019 ppm2 1.611 >>assi (( attr rmsd < 6.986 and attr rmsd > 6.886 ) >> and bondedto( attr rmsd < 130.977 and attr rmsd > 129.977 )) >> ( attr rmsd < 4.456 and attr rmsd > 4.356 ) >> 6 6 0 peak 2323 volume 5.58130 ppm1 6.936 ppm2 4.406 >>assi (( attr rmsd < 6.117 and attr rmsd > 6.017 ) >> and bondedto( attr rmsd < 125.315 and attr rmsd > 124.315 )) >> ( attr rmsd < 1.148 and attr rmsd > 1.048 ) >> 6 6 0 peak 2603 volume 11.14220 ppm1 6.067 ppm2 1.098 >>assi (( attr rmsd < 7.655 and attr rmsd > 7.555 ) >> and bondedto( attr rmsd < 129.763 and attr rmsd > 128.763 )) >> ( attr rmsd < 7.025 and attr rmsd > 6.925 ) >> 6 6 0 peak 2673 volume 3.57960 ppm1 7.605 ppm2 6.975 >>assi (( attr rmsd < 5.06 and attr rmsd > 4.96 ) >> and bondedto( attr rmsd < 121.271 and attr rmsd > 120.271 )) >> ( attr rmsd < 3.173 and attr rmsd > 3.073 ) >> 6 6 0 peak 2893 volume 4.01160 ppm1 5.010 ppm2 3.123 >>assi (( attr rmsd < 6.979 and attr rmsd > 6.879 ) >> and bondedto( attr rmsd < 130.979 and attr rmsd > 129.979 )) >> ( attr rmsd < 2.055 and attr rmsd > 1.955 ) >> 6 6 0 peak 2983 volume 7.33230 ppm1 6.929 ppm2 2.005 >>assi (( attr rmsd < 7.399 and attr rmsd > 7.299 ) >> and bondedto( attr rmsd < 128.755 and attr rmsd > 127.755 )) >> ( attr rmsd < 1.653 and attr rmsd > 1.553 ) >> 6 6 0 peak 3013 volume 26.35200 ppm1 7.349 ppm2 1.603 >>assi (( attr rmsd < 7.466 and attr rmsd > 7.366 ) >> and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) >> ( attr rmsd < 1.629 and attr rmsd > 1.529 ) >> 6 6 0 peak 3063 volume 34.31660 ppm1 7.416 ppm2 1.579 >>assi (( attr rmsd < 7.451 and attr rmsd > 7.351 ) >> and bondedto( attr rmsd < 129.359 and attr rmsd > 128.359 )) >> ( attr rmsd < 0.652 and attr rmsd > 0.552 ) >> 6 6 0 peak 3083 volume 18.22250 ppm1 7.401 ppm2 0.602 >>assi (( attr rmsd < 7.516 and attr rmsd > 7.416 ) >> and bondedto( attr rmsd < 125.52 and attr rmsd > 124.52 )) >> ( attr rmsd < 1.556 and attr rmsd > 1.456 ) >> 6 6 0 peak 3103 volume 10.00520 ppm1 7.466 ppm2 1.506 >>assi (( attr rmsd < 7.528 and attr rmsd > 7.428 ) >> and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) >> ( attr rmsd < 1.162 and attr rmsd > 1.062 ) >> 6 6 0 peak 3223 volume 2.20870 ppm1 7.478 ppm2 1.112 >>assi (( attr rmsd < 7.526 and attr rmsd > 7.426 ) >> and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) >> ( attr rmsd < 1.45 and attr rmsd > 1.35 ) >> 6 6 0 peak 3233 volume 10.18320 ppm1 7.476 ppm2 1.400 >>assi (( attr rmsd < 7.52 and attr rmsd > 7.42 ) >> and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) >> ( attr rmsd < 1.568 and attr rmsd > 1.468 ) >> 6 6 0 peak 3243 volume 4.11300 ppm1 7.470 ppm2 1.518 >>assi (( attr rmsd < 7.525 and attr rmsd > 7.425 ) >> and bondedto( attr rmsd < 112.714 and attr rmsd > 111.714 )) >> ( attr rmsd < 1.516 and attr rmsd > 1.416 ) >> 6 6 0 peak 3253 volume 2.51540 ppm1 7.475 ppm2 1.466 >>assi (( attr rmsd < 6.66 and attr rmsd > 6.56 ) >> and bondedto( attr rmsd < 115.949 and attr rmsd > 114.949 )) >> ( attr rmsd < 7.503 and attr rmsd > 7.403 ) >> 6 6 0 peak 3283 volume 7.39090 ppm1 6.610 ppm2 7.453 >>assi (( attr rmsd < 6.743 and attr rmsd > 6.643 ) >> and bondedto( attr rmsd < 115.949 and attr rmsd > 114.949 )) >> ( attr rmsd < 7.671 and attr rmsd > 7.571 ) >> 6 6 0 peak 3383 volume 3.76280 ppm1 6.693 ppm2 7.621 >>assi (( attr rmsd < 6.775 and attr rmsd > 6.675 ) >> and bondedto( attr rmsd < 116.353 and attr rmsd > 115.353 )) >> ( attr rmsd < 6.901 and attr rmsd > 6.801 ) >> 6 6 0 peak 3393 volume 23.32010 ppm1 6.725 ppm2 6.851 >>assi (( attr rmsd < 7.221 and attr rmsd > 7.121 ) >> and bondedto( attr rmsd < 120.802 and attr rmsd > 119.802 )) >> ( attr rmsd < 1.415 and attr rmsd > 1.315 ) >> 6 6 0 peak 3483 volume 2.82400 ppm1 7.171 ppm2 1.365 >>assi (( attr rmsd < 7.298 and attr rmsd > 7.198 ) >> and bondedto( attr rmsd < 123.026 and attr rmsd > 122.026 )) >> ( attr rmsd < 1.448 and attr rmsd > 1.348 ) >> 6 6 0 peak 3563 volume 7.70640 ppm1 7.248 ppm2 1.398 >>assi (( attr rmsd < 7.13 and attr rmsd > 7.03 ) >> and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) >> ( attr rmsd < 2.043 and attr rmsd > 1.943 ) >> 6 6 0 peak 3753 volume 11.56740 ppm1 7.080 ppm2 1.993 >>assi (( attr rmsd < 7.398 and attr rmsd > 7.298 ) >> and bondedto( attr rmsd < 128.687 and attr rmsd > 127.687 )) >> ( attr rmsd < 2.732 and attr rmsd > 2.632 ) >> 6 6 0 peak 3863 volume 13.05180 ppm1 7.348 ppm2 2.682 >>assi (( attr rmsd < 7.353 and attr rmsd > 7.253 ) >> and bondedto( attr rmsd < 129.294 and attr rmsd > 128.294 )) >> ( attr rmsd < 2.052 and attr rmsd > 1.952 ) >> 6 6 0 peak 3893 volume 13.13840 ppm1 7.303 ppm2 2.002 >>assi (( attr rmsd < 7.355 and attr rmsd > 7.255 ) >> and bondedto( attr rmsd < 129.294 and attr rmsd > 128.294 )) >> ( attr rmsd < 1.971 and attr rmsd > 1.871 ) >> 6 6 0 peak 3903 volume 10.34060 ppm1 7.305 ppm2 1.921 >>assi (( attr rmsd < 7.445 and attr rmsd > 7.345 ) >> and bondedto( attr rmsd < 129.761 and attr rmsd > 128.761 )) >> ( attr rmsd < 2.79 and attr rmsd > 2.69 ) >> 6 6 0 peak 4043 volume 6.41920 ppm1 7.395 ppm2 2.740 >>assi (( attr rmsd < 7.366 and attr rmsd > 7.266 ) >> and bondedto( attr rmsd < 130.103 and attr rmsd > 129.103 )) >> ( attr rmsd < 2.801 and attr rmsd > 2.701 ) >> 6 6 0 peak 4173 volume 8.94300 ppm1 7.316 ppm2 2.751 >>assi (( attr rmsd < 6.977 and attr rmsd > 6.877 ) >> and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) >> ( attr rmsd < 1.419 and attr rmsd > 1.319 ) >> 6 6 0 peak 4243 volume 3.86440 ppm1 6.927 ppm2 1.369 >>assi (( attr rmsd < 6.973 and attr rmsd > 6.873 ) >> and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) >> ( attr rmsd < 3.619 and attr rmsd > 3.519 ) >> 6 6 0 peak 4263 volume 6.74920 ppm1 6.923 ppm2 3.569 >>assi (( attr rmsd < 7.443 and attr rmsd > 7.343 ) >> and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) >> ( attr rmsd < 6.089 and attr rmsd > 5.989 ) >> 6 6 0 peak 4293 volume 3.54020 ppm1 7.393 ppm2 6.039 >>assi (( attr rmsd < 6.754 and attr rmsd > 6.654 ) >> and bondedto( attr rmsd < 131.518 and attr rmsd > 130.518 )) >> ( attr rmsd < 0.653 and attr rmsd > 0.553 ) >> 6 6 0 peak 4303 volume 4.84080 ppm1 6.704 ppm2 0.603 >>assi (( attr rmsd < 6.751 and attr rmsd > 6.651 ) >> and bondedto( attr rmsd < 131.518 and attr rmsd > 130.518 )) >> ( attr rmsd < 6.969 and attr rmsd > 6.869 ) >> 6 6 0 peak 4343 volume 9.61660 ppm1 6.701 ppm2 6.919 >>assi (( attr rmsd < 7.369 and attr rmsd > 7.269 ) >> and bondedto( attr rmsd < 130.305 and attr rmsd > 129.305 )) >> ( attr rmsd < 7.138 and attr rmsd > 7.038 ) >> 6 6 0 peak 4373 volume 11.56470 ppm1 7.319 ppm2 7.088 >>assi (( attr rmsd < 7.426 and attr rmsd > 7.326 ) >> and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) >> ( attr rmsd < 5.131 and attr rmsd > 5.031 ) >> 6 6 0 peak 4393 volume 5.01480 ppm1 7.376 ppm2 5.081 >>assi (( attr rmsd < 7.437 and attr rmsd > 7.337 ) >> and bondedto( attr rmsd < 127.879 and attr rmsd > 126.879 )) >> ( attr rmsd < 5.431 and attr rmsd > 5.331 ) >> 6 6 0 peak 4493 volume 1.60590 ppm1 7.387 ppm2 5.381 >>assi (( attr rmsd < 6.997 and attr rmsd > 6.897 ) >> and bondedto( attr rmsd < 130.912 and attr rmsd > 129.912 )) >> ( attr rmsd < 7.53 and attr rmsd > 7.43 ) >> 6 6 0 peak 4553 volume 3.38020 ppm1 6.947 ppm2 7.480 >> >>; >> >>save_ >> ; save_ save_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_1 _Sample_conditions_label $conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_2 >> _Spectral_peak_list.Entry_ID 7110 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $conditions_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>! >>! >>!The last digit in peak ID is the spectrum number >> >>ASSI { 05} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 05 weight 0.1000E+01 volume 18.67810 ppm1 6.901 ppm2 2.510 >>ASSI { 15} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 15 weight 0.1000E+01 volume 8.73250 ppm1 7.390 ppm2 2.512 >>ASSI { 25} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 25 weight 0.1000E+01 volume 45.90880 ppm1 7.346 ppm2 2.502 >>ASSI { 45} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "LIGA" and resid 201 and name HE3 )) >> 6 6 0 peak 45 weight 0.1000E+01 volume 51.22220 ppm1 6.679 ppm2 7.627 >>ASSI { 55} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "LIGA" and resid 201 and name HZ3 )) >> 6 6 0 peak 55 weight 0.1000E+01 volume 19.20700 ppm1 6.652 ppm2 7.486 >>ASSI { 65} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "LIGA" and resid 201 and name HE3 )) >> 6 6 0 peak 65 weight 0.1000E+01 volume 12.16250 ppm1 6.896 ppm2 7.624 >>ASSI { 75} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 75 weight 0.1000E+01 volume 3.89940 ppm1 6.574 ppm2 2.518 >>ASSI { 85} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 85 weight 0.1000E+01 volume 3.86450 ppm1 6.553 ppm2 2.928 >>! F3 (1H): 0.05 ppm >>! F2 (X): 0.5 ppm >>! F1 (1H): 0.05 ppm >>!The last digit in peak ID is the spectrum number >>assi (( attr rmsd < 6.171 and attr rmsd > 6.071 ) >> and bondedto( attr rmsd < 114.769 and attr rmsd > 113.769 )) >> ( attr rmsd < 2.546 and attr rmsd > 2.446 ) >> 6 6 0 peak 35 volume 18.33210 ppm1 6.121 ppm2 2.496 >>; >> >>save_ >> ; save_ save_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_1 _Sample_conditions_label $conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_3 >> _Spectral_peak_list.Entry_ID 7110 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $conditions_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>! >>! >>!The last digit in peak ID is the spectrum number >> >>ASSI { 02} >> (( segid "PROT" and resid 17 and name HA )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 02 weight 0.1000E+01 volume 326.72290 ppm1 4.179 ppm2 1.332 >>ASSI { 12} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 12 weight 0.1000E+01 volume 140.78520 ppm1 1.338 ppm2 4.177 >>ASSI { 22} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 22 weight 0.1000E+01 volume 6.89940 ppm1 4.429 ppm2 1.335 >>ASSI { 32} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 32 weight 0.1000E+01 volume 5.32060 ppm1 7.417 ppm2 1.337 >>ASSI { 42} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 42 weight 0.1000E+01 volume 44.01400 ppm1 3.789 ppm2 1.334 >>ASSI { 62} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 62 weight 0.1000E+01 volume 20.65850 ppm1 1.037 ppm2 1.335 >>ASSI { 72} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 72 weight 0.1000E+01 volume 104.56790 ppm1 0.658 ppm2 1.334 >>ASSI { 82} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 82 weight 0.1000E+01 volume 91.74620 ppm1 0.613 ppm2 1.336 >>ASSI { 92} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 92 weight 0.1000E+01 volume 50.13060 ppm1 0.506 ppm2 1.334 >>ASSI { 102} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 102 weight 0.1000E+01 volume 22.66430 ppm1 0.354 ppm2 1.335 >>ASSI { 112} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 112 weight 0.1000E+01 volume 24.07720 ppm1 0.249 ppm2 1.336 >>ASSI { 122} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 122 weight 0.1000E+01 volume 7.73870 ppm1 0.775 ppm2 4.175 >>ASSI { 132} >> (( segid "PROT" and resid 88 and name HA )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 132 weight 0.1000E+01 volume 136.71339 ppm1 4.397 ppm2 1.749 >>ASSI { 142} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 88 and name HA )) >> 6 6 0 peak 142 weight 0.1000E+01 volume 73.69680 ppm1 1.752 ppm2 4.400 >>ASSI { 152} >> (( segid "PROT" and resid 85 and name HA )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 152 weight 0.1000E+01 volume 23.80760 ppm1 4.182 ppm2 1.744 >>ASSI { 162} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 162 weight 0.1000E+01 volume 10.28500 ppm1 3.240 ppm2 1.744 >>ASSI { 172} >> (( segid "PROT" and resid 102 and name HB1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 172 weight 0.1000E+01 volume 12.68080 ppm1 3.049 ppm2 1.746 >>ASSI { 182} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 182 weight 0.1000E+01 volume 21.31700 ppm1 7.031 ppm2 1.747 >>ASSI { 192} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 192 weight 0.1000E+01 volume 93.03940 ppm1 7.352 ppm2 1.743 >>ASSI { 202} >> (( segid "PROT" and resid 24 and name HA )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 202 weight 0.1000E+01 volume 309.89890 ppm1 3.950 ppm2 1.410 >>ASSI { 212} >> (( segid "PROT" and resid 21 and name HA )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 212 weight 0.1000E+01 volume 131.03461 ppm1 4.145 ppm2 1.410 >>ASSI { 222} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 222 weight 0.1000E+01 volume 56.11570 ppm1 2.498 ppm2 1.410 >>ASSI { 242} >> (( segid "PROT" and resid 112 and name HG2 )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 242 weight 0.1000E+01 volume 144.83090 ppm1 2.018 ppm2 1.413 >>ASSI { 252} >> (( segid "PROT" and resid 24 and name HB# )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 252 weight 0.1000E+01 volume 186.23630 ppm1 1.414 ppm2 3.949 >>ASSI { 262} >> (( segid "PROT" and resid 27 and name HD1 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 262 weight 0.1000E+01 volume 8.24520 ppm1 3.192 ppm2 3.951 >>ASSI { 272} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 272 weight 0.1000E+01 volume 38.24440 ppm1 3.423 ppm2 0.919 >>ASSI { 282} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 282 weight 0.1000E+01 volume 63.27150 ppm1 0.912 ppm2 3.423 >>ASSI { 292} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 292 weight 0.1000E+01 volume 27.60630 ppm1 4.120 ppm2 0.919 >>ASSI { 302} >> (( segid "PROT" and resid 103 and name HA )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 302 weight 0.1000E+01 volume 60.60420 ppm1 4.453 ppm2 0.921 >>ASSI { 312} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 312 weight 0.1000E+01 volume 59.87620 ppm1 6.048 ppm2 0.919 >>ASSI { 322} >> (( segid "PROT" and resid 89 and name HH2 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 322 weight 0.1000E+01 volume 112.91640 ppm1 6.958 ppm2 0.921 >>ASSI { 332} >> (( segid "PROT" and resid 89 and name HZ3 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 332 weight 0.1000E+01 volume 20.83740 ppm1 7.250 ppm2 0.916 >>ASSI { 342} >> (( segid "PROT" and resid 82 and name HZ3 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 342 weight 0.1000E+01 volume 62.75260 ppm1 7.485 ppm2 0.921 >>ASSI { 352} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 352 weight 0.1000E+01 volume 10.68250 ppm1 7.719 ppm2 0.916 >>ASSI { 362} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 362 weight 0.1000E+01 volume 50.90580 ppm1 6.057 ppm2 3.425 >>ASSI { 372} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 372 weight 0.1000E+01 volume 5.77540 ppm1 7.035 ppm2 3.425 >>ASSI { 382} >> (( segid "PROT" and resid 8 and name HB )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 382 weight 0.1000E+01 volume 83.37790 ppm1 1.742 ppm2 4.283 >>ASSI { 392} >> (( segid "PROT" and resid 8 and name HG11 )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 392 weight 0.1000E+01 volume 22.81200 ppm1 1.433 ppm2 4.271 >>ASSI { 402} >> (( segid "PROT" and resid 8 and name HG12 )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 402 weight 0.1000E+01 volume 43.53360 ppm1 1.137 ppm2 4.279 >>ASSI { 412} >> (( segid "PROT" and resid 8 and name HG2# )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 412 weight 0.1000E+01 volume 12.41660 ppm1 0.879 ppm2 4.276 >>ASSI { 422} >> (( segid "PROT" and resid 8 and name HD1# )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 422 weight 0.1000E+01 volume 23.82380 ppm1 0.829 ppm2 4.276 >>ASSI { 432} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 432 weight 0.1000E+01 volume 13.58600 ppm1 7.333 ppm2 4.281 >>ASSI { 442} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 442 weight 0.1000E+01 volume 55.99740 ppm1 4.278 ppm2 1.739 >>ASSI { 452} >> (( segid "PROT" and resid 8 and name HG11 )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 452 weight 0.1000E+01 volume 55.48710 ppm1 1.433 ppm2 1.739 >>ASSI { 462} >> (( segid "PROT" and resid 8 and name HG12 )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 462 weight 0.1000E+01 volume 60.14330 ppm1 1.138 ppm2 1.732 >>ASSI { 472} >> (( segid "PROT" and resid 8 and name HG2# )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 472 weight 0.1000E+01 volume 72.58460 ppm1 0.874 ppm2 1.736 >>ASSI { 482} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 8 and name HG11 )) >> 6 6 0 peak 482 weight 0.1000E+01 volume 28.55280 ppm1 4.277 ppm2 1.434 >>ASSI { 492} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 492 weight 0.1000E+01 volume 50.97310 ppm1 4.276 ppm2 1.134 >>ASSI { 502} >> (( segid "PROT" and resid 8 and name HB )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 502 weight 0.1000E+01 volume 205.07420 ppm1 1.744 ppm2 1.138 >>ASSI { 512} >> (( segid "PROT" and resid 8 and name HB )) >> (( segid "PROT" and resid 8 and name HG11 )) >> 6 6 0 peak 512 weight 0.1000E+01 volume 299.02319 ppm1 1.741 ppm2 1.434 >>ASSI { 522} >> (( segid "PROT" and resid 8 and name HG11 )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 522 weight 0.1000E+01 volume 576.40472 ppm1 1.437 ppm2 1.143 >>ASSI { 532} >> (( segid "PROT" and resid 8 and name HG12 )) >> (( segid "PROT" and resid 8 and name HG11 )) >> 6 6 0 peak 532 weight 0.1000E+01 volume 398.45599 ppm1 1.136 ppm2 1.428 >>ASSI { 542} >> (( segid "PROT" and resid 8 and name HD1# )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 542 weight 0.1000E+01 volume 255.07111 ppm1 0.828 ppm2 1.130 >>ASSI { 552} >> (( segid "PROT" and resid 8 and name HB )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 552 weight 0.1000E+01 volume 303.00229 ppm1 1.741 ppm2 0.857 >>ASSI { 562} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 562 weight 0.1000E+01 volume 191.39830 ppm1 4.276 ppm2 0.856 >>ASSI { 572} >> (( segid "PROT" and resid 8 and name HG11 )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 572 weight 0.1000E+01 volume 73.42690 ppm1 1.434 ppm2 0.857 >>ASSI { 582} >> (( segid "PROT" and resid 8 and name HG12 )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 582 weight 0.1000E+01 volume 80.59850 ppm1 1.140 ppm2 0.856 >>ASSI { 592} >> (( segid "PROT" and resid 8 and name HA )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 592 weight 0.1000E+01 volume 79.87710 ppm1 4.274 ppm2 0.823 >>ASSI { 602} >> (( segid "PROT" and resid 8 and name HB )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 602 weight 0.1000E+01 volume 80.47540 ppm1 1.740 ppm2 0.827 >>ASSI { 612} >> (( segid "PROT" and resid 8 and name HG11 )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 612 weight 0.1000E+01 volume 210.87660 ppm1 1.433 ppm2 0.829 >>ASSI { 622} >> (( segid "PROT" and resid 8 and name HG12 )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 622 weight 0.1000E+01 volume 168.70399 ppm1 1.140 ppm2 0.829 >>ASSI { 632} >> (( segid "PROT" and resid 8 and name HD1# )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 632 weight 0.1000E+01 volume 75.33220 ppm1 0.837 ppm2 1.735 >>ASSI { 642} >> (( segid "PROT" and resid 52 and name HA )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 642 weight 0.1000E+01 volume 30.88720 ppm1 3.995 ppm2 1.829 >>ASSI { 652} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 652 weight 0.1000E+01 volume 62.62850 ppm1 0.999 ppm2 1.827 >>ASSI { 662} >> (( segid "PROT" and resid 52 and name HG12 )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 662 weight 0.1000E+01 volume 19.02160 ppm1 1.401 ppm2 1.822 >>ASSI { 672} >> (( segid "PROT" and resid 52 and name HG11 )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 672 weight 0.1000E+01 volume 15.41710 ppm1 1.561 ppm2 1.830 >>ASSI { 682} >> (( segid "PROT" and resid 49 and name HA )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 682 weight 0.1000E+01 volume 11.66770 ppm1 3.583 ppm2 1.823 >>ASSI { 692} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 692 weight 0.1000E+01 volume 10.95210 ppm1 6.707 ppm2 1.828 >>ASSI { 702} >> (( segid "PROT" and resid 53 and name HB )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 702 weight 0.1000E+01 volume 64.96590 ppm1 1.000 ppm2 3.529 >>ASSI { 712} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 712 weight 0.1000E+01 volume 71.79620 ppm1 0.607 ppm2 3.531 >>ASSI { 722} >> (( segid "PROT" and resid 53 and name HA )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 722 weight 0.1000E+01 volume 25.51570 ppm1 3.536 ppm2 1.025 >>ASSI { 732} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 732 weight 0.1000E+01 volume 82.71650 ppm1 0.611 ppm2 1.024 >>ASSI { 742} >> (( segid "PROT" and resid 53 and name HA )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 742 weight 0.1000E+01 volume 109.40060 ppm1 3.535 ppm2 0.445 >>ASSI { 752} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 752 weight 0.1000E+01 volume 17.75830 ppm1 6.939 ppm2 0.439 >>ASSI { 762} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 762 weight 0.1000E+01 volume 64.42990 ppm1 6.712 ppm2 0.502 >>ASSI { 772} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 772 weight 0.1000E+01 volume 40.75220 ppm1 6.612 ppm2 0.504 >>ASSI { 782} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 782 weight 0.1000E+01 volume 50.97420 ppm1 6.150 ppm2 0.442 >>ASSI { 792} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 792 weight 0.1000E+01 volume 150.75549 ppm1 4.191 ppm2 0.501 >>ASSI { 802} >> (( segid "PROT" and resid 87 and name HB1 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 802 weight 0.1000E+01 volume 24.62930 ppm1 3.076 ppm2 0.440 >>ASSI { 812} >> (( segid "PROT" and resid 53 and name HB )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 812 weight 0.1000E+01 volume 154.12959 ppm1 1.009 ppm2 0.445 >>ASSI { 822} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 822 weight 0.1000E+01 volume 185.32460 ppm1 0.233 ppm2 0.504 >>ASSI { 832} >> (( segid "PROT" and resid 53 and name HA )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 832 weight 0.1000E+01 volume 86.23680 ppm1 3.536 ppm2 0.608 >>ASSI { 842} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 842 weight 0.1000E+01 volume 18.79810 ppm1 7.409 ppm2 0.608 >>ASSI { 852} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 852 weight 0.1000E+01 volume 48.38800 ppm1 6.149 ppm2 0.608 >>ASSI { 862} >> (( segid "PROT" and resid 87 and name HA )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 862 weight 0.1000E+01 volume 12.66080 ppm1 4.455 ppm2 0.608 >>ASSI { 872} >> (( segid "PROT" and resid 87 and name HB1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 872 weight 0.1000E+01 volume 22.47610 ppm1 3.081 ppm2 0.607 >>ASSI { 882} >> (( segid "PROT" and resid 87 and name HB2 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 882 weight 0.1000E+01 volume 38.73520 ppm1 2.749 ppm2 0.609 >>ASSI { 892} >> (( segid "PROT" and resid 53 and name HB )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 892 weight 0.1000E+01 volume 131.06000 ppm1 1.022 ppm2 0.608 >>ASSI { 902} >> (( segid "PROT" and resid 39 and name HA )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 902 weight 0.1000E+01 volume 108.76930 ppm1 3.204 ppm2 0.741 >>ASSI { 912} >> (( segid "PROT" and resid 39 and name HB )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 912 weight 0.1000E+01 volume 199.89951 ppm1 1.471 ppm2 0.734 >>ASSI { 922} >> (( segid "PROT" and resid 39 and name HB )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 922 weight 0.1000E+01 volume 139.80350 ppm1 1.470 ppm2 -0.369 >>ASSI { 932} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 932 weight 0.1000E+01 volume 315.98459 ppm1 0.740 ppm2 -0.370 >>ASSI { 942} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 942 weight 0.1000E+01 volume 7.21210 ppm1 1.097 ppm2 -0.371 >>ASSI { 952} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 952 weight 0.1000E+01 volume 23.64400 ppm1 1.574 ppm2 -0.367 >>ASSI { 962} >> (( segid "PROT" and resid 39 and name HA )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 962 weight 0.1000E+01 volume 47.47680 ppm1 3.205 ppm2 -0.374 >>ASSI { 972} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 972 weight 0.1000E+01 volume 8.58790 ppm1 5.084 ppm2 -0.368 >>ASSI { 982} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 982 weight 0.1000E+01 volume 21.31620 ppm1 6.152 ppm2 -0.368 >>ASSI { 1002} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 1002 weight 0.1000E+01 volume 93.94220 ppm1 1.041 ppm2 3.676 >>ASSI { 1012} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 1012 weight 0.1000E+01 volume 78.69610 ppm1 0.779 ppm2 3.675 >>ASSI { 1022} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 1022 weight 0.1000E+01 volume 29.33780 ppm1 2.068 ppm2 3.678 >>ASSI { 1032} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 28 and name HG2 )) >> 6 6 0 peak 1032 weight 0.1000E+01 volume 14.36370 ppm1 0.570 ppm2 2.034 >>ASSI { 1042} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1042 weight 0.1000E+01 volume 94.92040 ppm1 0.776 ppm2 2.067 >>ASSI { 1052} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1052 weight 0.1000E+01 volume 108.15450 ppm1 1.040 ppm2 2.069 >>ASSI { 1062} >> (( segid "PROT" and resid 100 and name HG2 )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 1062 weight 0.1000E+01 volume 248.84160 ppm1 1.616 ppm2 2.034 >>ASSI { 1072} >> (( segid "PROT" and resid 100 and name HG1 )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 1072 weight 0.1000E+01 volume 224.21500 ppm1 1.710 ppm2 2.030 >>ASSI { 1082} >> (( segid "PROT" and resid 118 and name HG2 )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1082 weight 0.1000E+01 volume 256.02802 ppm1 2.441 ppm2 2.039 >>ASSI { 1092} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 28 and name HG2 )) >> 6 6 0 peak 1092 weight 0.1000E+01 volume 62.95610 ppm1 2.799 ppm2 2.034 >>ASSI { 1102} >> (( segid "PROT" and resid 116 and name HA )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1102 weight 0.1000E+01 volume 84.90530 ppm1 3.658 ppm2 2.051 >>ASSI { 1112} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1112 weight 0.1000E+01 volume 89.66320 ppm1 4.074 ppm2 2.040 >>ASSI { 1122} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 11 and name HB2 )) >> 6 6 0 peak 1122 weight 0.1000E+01 volume 131.81660 ppm1 4.233 ppm2 2.035 >>ASSI { 1132} >> (( segid "PROT" and resid 116 and name HA )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1132 weight 0.1000E+01 volume 119.36390 ppm1 3.680 ppm2 0.770 >>ASSI { 1142} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1142 weight 0.1000E+01 volume 3.68070 ppm1 6.610 ppm2 0.771 >>ASSI { 1152} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1152 weight 0.1000E+01 volume 8.09900 ppm1 4.309 ppm2 0.772 >>ASSI { 1162} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1162 weight 0.1000E+01 volume 87.43320 ppm1 4.186 ppm2 0.776 >>ASSI { 1172} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1172 weight 0.1000E+01 volume 53.55810 ppm1 2.069 ppm2 0.771 >>ASSI { 1182} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1182 weight 0.1000E+01 volume 50.60910 ppm1 1.784 ppm2 0.769 >>ASSI { 1192} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1192 weight 0.1000E+01 volume 30.96600 ppm1 1.565 ppm2 0.766 >>ASSI { 1202} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1202 weight 0.1000E+01 volume 144.27240 ppm1 1.310 ppm2 0.776 >>ASSI { 1212} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1212 weight 0.1000E+01 volume 201.40849 ppm1 1.036 ppm2 0.780 >>ASSI { 1222} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1222 weight 0.1000E+01 volume 112.37040 ppm1 0.505 ppm2 0.774 >>ASSI { 1232} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1232 weight 0.1000E+01 volume 10.24130 ppm1 0.237 ppm2 0.767 >>ASSI { 1242} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 1242 weight 0.1000E+01 volume 200.55409 ppm1 0.774 ppm2 1.037 >>ASSI { 1252} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 1252 weight 0.1000E+01 volume 32.86770 ppm1 0.507 ppm2 1.031 >>ASSI { 1262} >> (( segid "PROT" and resid 83 and name HG )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 1262 weight 0.1000E+01 volume 226.13240 ppm1 1.406 ppm2 1.097 >>ASSI { 1272} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 1272 weight 0.1000E+01 volume 213.73801 ppm1 2.064 ppm2 1.032 >>ASSI { 1282} >> (( segid "PROT" and resid 116 and name HA )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 1282 weight 0.1000E+01 volume 189.18620 ppm1 3.680 ppm2 1.029 >>ASSI { 1292} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 1292 weight 0.1000E+01 volume 105.60280 ppm1 4.232 ppm2 1.102 >>ASSI { 1302} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1302 weight 0.1000E+01 volume 44.18870 ppm1 0.959 ppm2 3.634 >>ASSI { 1312} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1312 weight 0.1000E+01 volume 92.79360 ppm1 0.869 ppm2 3.636 >>ASSI { 1322} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1322 weight 0.1000E+01 volume 54.47060 ppm1 2.173 ppm2 3.642 >>ASSI { 1332} >> (( segid "PROT" and resid 111 and name HB1 )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1332 weight 0.1000E+01 volume 15.95010 ppm1 2.280 ppm2 3.646 >>ASSI { 1342} >> (( segid "PROT" and resid 111 and name HG2 )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1342 weight 0.1000E+01 volume 7.70040 ppm1 2.440 ppm2 3.639 >>ASSI { 1352} >> (( segid "PROT" and resid 111 and name HG1 )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1352 weight 0.1000E+01 volume 7.46140 ppm1 2.518 ppm2 3.638 >>ASSI { 1362} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 1362 weight 0.1000E+01 volume 84.95850 ppm1 3.637 ppm2 2.157 >>ASSI { 1372} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 73 and name HB1 )) >> 6 6 0 peak 1372 weight 0.1000E+01 volume 7.53360 ppm1 7.472 ppm2 2.182 >>ASSI { 1382} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 1382 weight 0.1000E+01 volume 125.84800 ppm1 0.957 ppm2 2.166 >>ASSI { 1392} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 1392 weight 0.1000E+01 volume 160.23050 ppm1 0.874 ppm2 2.157 >>ASSI { 1402} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 1402 weight 0.1000E+01 volume 234.80780 ppm1 2.159 ppm2 0.957 >>ASSI { 1412} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 1412 weight 0.1000E+01 volume 344.11609 ppm1 3.640 ppm2 0.961 >>ASSI { 1422} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 1422 weight 0.1000E+01 volume 130.96660 ppm1 3.636 ppm2 0.869 >>ASSI { 1432} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 1432 weight 0.1000E+01 volume 4.62730 ppm1 2.502 ppm2 0.869 >>ASSI { 1442} >> (( segid "PROT" and resid 107 and name HB1 )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 1442 weight 0.1000E+01 volume 5.86030 ppm1 2.282 ppm2 0.867 >>ASSI { 1452} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 1452 weight 0.1000E+01 volume 115.80970 ppm1 2.158 ppm2 0.866 >>ASSI { 1462} >> (( segid "PROT" and resid 95 and name HA )) >> (( segid "PROT" and resid 95 and name HB )) >> 6 6 0 peak 1462 weight 0.1000E+01 volume 91.62050 ppm1 4.100 ppm2 4.441 >>ASSI { 1472} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1472 weight 0.1000E+01 volume 89.40790 ppm1 0.721 ppm2 4.092 >>ASSI { 1482} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1482 weight 0.1000E+01 volume 106.11620 ppm1 0.887 ppm2 4.100 >>ASSI { 1492} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1492 weight 0.1000E+01 volume 16.86400 ppm1 1.038 ppm2 4.091 >>ASSI { 1502} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1502 weight 0.1000E+01 volume 40.45630 ppm1 1.302 ppm2 4.088 >>ASSI { 1512} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 1512 weight 0.1000E+01 volume 28.79750 ppm1 4.093 ppm2 0.714 >>ASSI { 1522} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 1522 weight 0.1000E+01 volume 127.10770 ppm1 4.092 ppm2 0.887 >>ASSI { 1532} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1532 weight 0.1000E+01 volume 27.61300 ppm1 1.211 ppm2 4.090 >>ASSI { 1542} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1542 weight 0.1000E+01 volume 24.43540 ppm1 0.355 ppm2 3.792 >>ASSI { 1552} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1552 weight 0.1000E+01 volume 44.36870 ppm1 0.269 ppm2 3.789 >>ASSI { 1562} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1562 weight 0.1000E+01 volume 7.17490 ppm1 0.657 ppm2 3.793 >>ASSI { 1572} >> (( segid "PROT" and resid 14 and name HB2 )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1572 weight 0.1000E+01 volume 49.42990 ppm1 1.321 ppm2 3.786 >>ASSI { 1582} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1582 weight 0.1000E+01 volume 29.86880 ppm1 1.388 ppm2 3.783 >>ASSI { 1592} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1592 weight 0.1000E+01 volume 60.01140 ppm1 1.658 ppm2 3.793 >>ASSI { 1602} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1602 weight 0.1000E+01 volume 41.00990 ppm1 0.354 ppm2 1.644 >>ASSI { 1612} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 1612 weight 0.1000E+01 volume 15.96660 ppm1 0.353 ppm2 1.310 >>ASSI { 1622} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1622 weight 0.1000E+01 volume 20.91850 ppm1 0.268 ppm2 1.651 >>ASSI { 1632} >> (( segid "PROT" and resid 14 and name HB2 )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1632 weight 0.1000E+01 volume 85.75330 ppm1 1.304 ppm2 1.657 >>ASSI { 1642} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 1642 weight 0.1000E+01 volume 25.45920 ppm1 1.401 ppm2 1.295 >>ASSI { 1652} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1652 weight 0.1000E+01 volume 36.95480 ppm1 1.400 ppm2 1.653 >>ASSI { 1662} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 1662 weight 0.1000E+01 volume 112.79770 ppm1 1.655 ppm2 1.304 >>ASSI { 1672} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 1672 weight 0.1000E+01 volume 63.79600 ppm1 3.787 ppm2 1.319 >>ASSI { 1682} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1682 weight 0.1000E+01 volume 40.22970 ppm1 3.789 ppm2 1.653 >>ASSI { 1692} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1692 weight 0.1000E+01 volume 10.63440 ppm1 4.232 ppm2 1.661 >>ASSI { 1702} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 1702 weight 0.1000E+01 volume 89.43150 ppm1 0.353 ppm2 1.399 >>ASSI { 1712} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 1712 weight 0.1000E+01 volume 48.24370 ppm1 0.262 ppm2 1.401 >>ASSI { 1722} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 1722 weight 0.1000E+01 volume 21.08080 ppm1 3.790 ppm2 1.402 >>ASSI { 1732} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 1732 weight 0.1000E+01 volume 49.40220 ppm1 7.365 ppm2 0.390 >>ASSI { 1742} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 1742 weight 0.1000E+01 volume 46.10010 ppm1 6.059 ppm2 0.394 >>ASSI { 1752} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1752 weight 0.1000E+01 volume 206.81509 ppm1 3.784 ppm2 0.268 >>ASSI { 1762} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1762 weight 0.1000E+01 volume 157.07230 ppm1 0.610 ppm2 0.265 >>ASSI { 1772} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1772 weight 0.1000E+01 volume 36.74140 ppm1 0.658 ppm2 0.268 >>ASSI { 1782} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1782 weight 0.1000E+01 volume 156.77271 ppm1 1.402 ppm2 0.265 >>ASSI { 1792} >> (( segid "PROT" and resid 14 and name HB2 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1792 weight 0.1000E+01 volume 136.64410 ppm1 1.311 ppm2 0.270 >>ASSI { 1802} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1802 weight 0.1000E+01 volume 65.06140 ppm1 1.653 ppm2 0.266 >>ASSI { 1812} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 1812 weight 0.1000E+01 volume 122.72260 ppm1 1.776 ppm2 0.231 >>ASSI { 1822} >> (( segid "PROT" and resid 74 and name HD2 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1822 weight 0.1000E+01 volume 48.86510 ppm1 2.764 ppm2 0.265 >>ASSI { 1832} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1832 weight 0.1000E+01 volume 57.34080 ppm1 2.865 ppm2 0.266 >>ASSI { 1842} >> (( segid "PROT" and resid 72 and name HA )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1842 weight 0.1000E+01 volume 16.11780 ppm1 4.292 ppm2 0.266 >>ASSI { 1852} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1852 weight 0.1000E+01 volume 40.65220 ppm1 4.629 ppm2 0.266 >>ASSI { 1862} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1862 weight 0.1000E+01 volume 10.76020 ppm1 7.329 ppm2 0.266 >>ASSI { 1872} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 1872 weight 0.1000E+01 volume 17.67770 ppm1 7.389 ppm2 0.265 >>ASSI { 1882} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 1882 weight 0.1000E+01 volume 25.70330 ppm1 1.303 ppm2 4.142 >>ASSI { 1892} >> (( segid "PROT" and resid 24 and name HB# )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 1892 weight 0.1000E+01 volume 30.09650 ppm1 1.411 ppm2 4.145 >>ASSI { 1902} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 1902 weight 0.1000E+01 volume 61.99870 ppm1 1.301 ppm2 4.197 >>ASSI { 1912} >> (( segid "PROT" and resid 21 and name HB )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1912 weight 0.1000E+01 volume 169.42410 ppm1 4.187 ppm2 1.304 >>ASSI { 1922} >> (( segid "PROT" and resid 21 and name HA )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1922 weight 0.1000E+01 volume 104.10790 ppm1 4.131 ppm2 1.303 >>ASSI { 1932} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1932 weight 0.1000E+01 volume 17.54770 ppm1 2.499 ppm2 1.308 >>ASSI { 1942} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1942 weight 0.1000E+01 volume 43.18980 ppm1 2.068 ppm2 1.299 >>ASSI { 1952} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1952 weight 0.1000E+01 volume 45.74860 ppm1 1.760 ppm2 1.303 >>ASSI { 1962} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 1962 weight 0.1000E+01 volume 26.21720 ppm1 0.504 ppm2 1.303 >>ASSI { 1972} >> (( segid "PROT" and resid 95 and name HA )) >> (( segid "PROT" and resid 95 and name HG2# )) >> 6 6 0 peak 1972 weight 0.1000E+01 volume 152.49719 ppm1 4.102 ppm2 1.120 >>ASSI { 1982} >> (( segid "PROT" and resid 95 and name HB )) >> (( segid "PROT" and resid 95 and name HG2# )) >> 6 6 0 peak 1982 weight 0.1000E+01 volume 176.49609 ppm1 4.440 ppm2 1.117 >>ASSI { 1992} >> (( segid "PROT" and resid 95 and name HG2# )) >> (( segid "PROT" and resid 95 and name HB )) >> 6 6 0 peak 1992 weight 0.1000E+01 volume 91.16990 ppm1 1.118 ppm2 4.437 >>ASSI { 2002} >> (( segid "PROT" and resid 95 and name HB )) >> (( segid "PROT" and resid 95 and name HA )) >> 6 6 0 peak 2002 weight 0.1000E+01 volume 90.14380 ppm1 4.440 ppm2 4.102 >>ASSI { 2012} >> (( segid "PROT" and resid 95 and name HG2# )) >> (( segid "PROT" and resid 95 and name HA )) >> 6 6 0 peak 2012 weight 0.1000E+01 volume 158.24260 ppm1 1.111 ppm2 4.091 >>ASSI { 2022} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 68 and name HB )) >> 6 6 0 peak 2022 weight 0.1000E+01 volume 40.95950 ppm1 1.227 ppm2 4.510 >>ASSI { 2032} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 68 and name HA )) >> 6 6 0 peak 2032 weight 0.1000E+01 volume 44.34220 ppm1 1.225 ppm2 4.501 >>ASSI { 2042} >> (( segid "PROT" and resid 68 and name HB )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 2042 weight 0.1000E+01 volume 231.31461 ppm1 4.511 ppm2 1.225 >>ASSI { 2052} >> (( segid "PROT" and resid 64 and name HD1 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 2052 weight 0.1000E+01 volume 13.17220 ppm1 3.220 ppm2 1.222 >>ASSI { 2062} >> (( segid "PROT" and resid 67 and name HB1 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 2062 weight 0.1000E+01 volume 21.06010 ppm1 2.845 ppm2 1.226 >>ASSI { 2072} >> (( segid "PROT" and resid 61 and name HG2# )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 2072 weight 0.1000E+01 volume 151.98930 ppm1 1.136 ppm2 4.224 >>ASSI { 2082} >> (( segid "PROT" and resid 61 and name HA )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 2082 weight 0.1000E+01 volume 22.02180 ppm1 3.883 ppm2 4.230 >>ASSI { 2092} >> (( segid "PROT" and resid 61 and name HB )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 2092 weight 0.1000E+01 volume 187.27130 ppm1 4.231 ppm2 1.137 >>ASSI { 2102} >> (( segid "PROT" and resid 61 and name HA )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 2102 weight 0.1000E+01 volume 188.89720 ppm1 3.880 ppm2 1.132 >>ASSI { 2112} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 2112 weight 0.1000E+01 volume 4.26280 ppm1 5.068 ppm2 1.138 >>ASSI { 2122} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 2122 weight 0.1000E+01 volume 161.26601 ppm1 1.993 ppm2 1.139 >>ASSI { 2132} >> (( segid "PROT" and resid 119 and name HB2 )) >> (( segid "PROT" and resid 119 and name HA )) >> 6 6 0 peak 2132 weight 0.1000E+01 volume 31.62980 ppm1 3.980 ppm2 4.434 >>ASSI { 2142} >> (( segid "PROT" and resid 119 and name HB1 )) >> (( segid "PROT" and resid 119 and name HA )) >> 6 6 0 peak 2142 weight 0.1000E+01 volume 98.08780 ppm1 4.029 ppm2 4.431 >>ASSI { 2152} >> (( segid "PROT" and resid 119 and name HA )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 2152 weight 0.1000E+01 volume 130.04190 ppm1 4.435 ppm2 3.979 >>ASSI { 2162} >> (( segid "PROT" and resid 119 and name HA )) >> (( segid "PROT" and resid 119 and name HB1 )) >> 6 6 0 peak 2162 weight 0.1000E+01 volume 109.23970 ppm1 4.432 ppm2 4.056 >>ASSI { 2172} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 2172 weight 0.1000E+01 volume 152.79201 ppm1 0.739 ppm2 3.207 >>ASSI { 2182} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 2182 weight 0.1000E+01 volume 33.09180 ppm1 -0.356 ppm2 3.196 >>ASSI { 2192} >> (( segid "PROT" and resid 39 and name HB )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 2192 weight 0.1000E+01 volume 32.27610 ppm1 1.472 ppm2 3.205 >>ASSI { 2202} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2202 weight 0.1000E+01 volume 48.37840 ppm1 1.262 ppm2 3.067 >>ASSI { 2212} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2212 weight 0.1000E+01 volume 51.20600 ppm1 1.111 ppm2 3.062 >>ASSI { 2222} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2222 weight 0.1000E+01 volume 5.25770 ppm1 -1.499 ppm2 3.060 >>ASSI { 2232} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2232 weight 0.1000E+01 volume 18.75270 ppm1 -0.257 ppm2 3.064 >>ASSI { 2242} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2242 weight 0.1000E+01 volume 47.11970 ppm1 0.871 ppm2 3.062 >>ASSI { 2252} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2252 weight 0.1000E+01 volume 12.87480 ppm1 2.274 ppm2 3.065 >>ASSI { 2262} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2262 weight 0.1000E+01 volume 1.46950 ppm1 6.723 ppm2 3.060 >>ASSI { 2272} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2272 weight 0.1000E+01 volume 19.42420 ppm1 6.855 ppm2 3.064 >>ASSI { 2282} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2282 weight 0.1000E+01 volume 7.13650 ppm1 7.199 ppm2 3.062 >>ASSI { 2292} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 2292 weight 0.1000E+01 volume 1.66130 ppm1 7.474 ppm2 3.071 >>ASSI { 2302} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 2302 weight 0.1000E+01 volume 9.16470 ppm1 3.064 ppm2 2.277 >>ASSI { 2312} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 2312 weight 0.1000E+01 volume 38.49320 ppm1 4.206 ppm2 2.273 >>ASSI { 2322} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 2322 weight 0.1000E+01 volume 66.00090 ppm1 1.261 ppm2 2.277 >>ASSI { 2332} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 2332 weight 0.1000E+01 volume 57.55440 ppm1 1.112 ppm2 2.280 >>ASSI { 2342} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2342 weight 0.1000E+01 volume 92.29730 ppm1 3.067 ppm2 1.114 >>ASSI { 2352} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2352 weight 0.1000E+01 volume 69.66290 ppm1 3.068 ppm2 1.262 >>ASSI { 2362} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2362 weight 0.1000E+01 volume 178.35780 ppm1 2.271 ppm2 1.114 >>ASSI { 2372} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2372 weight 0.1000E+01 volume 134.77161 ppm1 2.272 ppm2 1.262 >>ASSI { 2382} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2382 weight 0.1000E+01 volume 6.32500 ppm1 3.283 ppm2 1.256 >>ASSI { 2392} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2392 weight 0.1000E+01 volume 50.24850 ppm1 6.721 ppm2 1.117 >>ASSI { 2402} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2402 weight 0.1000E+01 volume 18.81290 ppm1 7.039 ppm2 1.262 >>ASSI { 2412} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2412 weight 0.1000E+01 volume 6.99400 ppm1 7.041 ppm2 1.115 >>ASSI { 2422} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2422 weight 0.1000E+01 volume 17.50460 ppm1 6.851 ppm2 1.110 >>ASSI { 2432} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2432 weight 0.1000E+01 volume 22.40130 ppm1 6.855 ppm2 1.259 >>ASSI { 2442} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2442 weight 0.1000E+01 volume 75.83130 ppm1 7.188 ppm2 1.259 >>ASSI { 2452} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 2452 weight 0.1000E+01 volume 51.62180 ppm1 7.191 ppm2 1.117 >>ASSI { 2462} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 2462 weight 0.1000E+01 volume 179.66679 ppm1 7.479 ppm2 1.259 >>ASSI { 2472} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 2472 weight 0.1000E+01 volume 36.35320 ppm1 -0.257 ppm2 2.473 >>ASSI { 2482} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 2482 weight 0.1000E+01 volume 31.94750 ppm1 -1.494 ppm2 2.473 >>ASSI { 2492} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 2492 weight 0.1000E+01 volume 24.04270 ppm1 0.345 ppm2 2.473 >>ASSI { 2502} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 2502 weight 0.1000E+01 volume 15.61880 ppm1 0.876 ppm2 2.478 >>ASSI { 2512} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 2512 weight 0.1000E+01 volume 13.62240 ppm1 1.199 ppm2 2.478 >>ASSI { 2522} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 2522 weight 0.1000E+01 volume 59.71540 ppm1 -0.256 ppm2 0.871 >>ASSI { 2532} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 2532 weight 0.1000E+01 volume 64.00240 ppm1 -1.493 ppm2 0.872 >>ASSI { 2542} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 2542 weight 0.1000E+01 volume 25.16840 ppm1 0.346 ppm2 0.881 >>ASSI { 2552} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 2552 weight 0.1000E+01 volume 21.66080 ppm1 2.476 ppm2 0.866 >>ASSI { 2562} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 2562 weight 0.1000E+01 volume 21.90610 ppm1 3.066 ppm2 0.871 >>ASSI { 2572} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 2572 weight 0.1000E+01 volume 2.95010 ppm1 6.851 ppm2 0.864 >>ASSI { 2582} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2582 weight 0.1000E+01 volume 111.43620 ppm1 0.344 ppm2 -0.258 >>ASSI { 2592} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2592 weight 0.1000E+01 volume 10.69050 ppm1 0.347 ppm2 -1.491 >>ASSI { 2602} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2602 weight 0.1000E+01 volume 10.76200 ppm1 0.580 ppm2 -0.264 >>ASSI { 2612} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2612 weight 0.1000E+01 volume 12.34170 ppm1 0.580 ppm2 -1.498 >>ASSI { 2622} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2622 weight 0.1000E+01 volume 27.91990 ppm1 0.676 ppm2 -0.262 >>ASSI { 2632} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2632 weight 0.1000E+01 volume 43.34050 ppm1 0.671 ppm2 -1.501 >>ASSI { 2642} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2642 weight 0.1000E+01 volume 141.60159 ppm1 0.873 ppm2 -0.258 >>ASSI { 2652} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2652 weight 0.1000E+01 volume 113.98910 ppm1 0.884 ppm2 -1.495 >>ASSI { 2662} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2662 weight 0.1000E+01 volume 18.81060 ppm1 1.184 ppm2 -0.264 >>ASSI { 2672} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2672 weight 0.1000E+01 volume 37.98870 ppm1 1.243 ppm2 -1.498 >>ASSI { 2682} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2682 weight 0.1000E+01 volume 95.21840 ppm1 2.476 ppm2 -0.265 >>ASSI { 2692} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2692 weight 0.1000E+01 volume 52.34660 ppm1 2.478 ppm2 -1.498 >>ASSI { 2702} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2702 weight 0.1000E+01 volume 2.87870 ppm1 2.216 ppm2 -0.255 >>ASSI { 2712} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2712 weight 0.1000E+01 volume 12.71510 ppm1 1.250 ppm2 -0.260 >>ASSI { 2722} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2722 weight 0.1000E+01 volume 66.61340 ppm1 1.107 ppm2 -0.258 >>ASSI { 2732} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2732 weight 0.1000E+01 volume 31.11850 ppm1 3.066 ppm2 -0.260 >>ASSI { 2742} >> (( segid "PROT" and resid 78 and name HA )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2742 weight 0.1000E+01 volume 18.75960 ppm1 3.067 ppm2 -1.491 >>ASSI { 2752} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2752 weight 0.1000E+01 volume 7.29660 ppm1 3.985 ppm2 -1.496 >>ASSI { 2762} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2762 weight 0.1000E+01 volume 7.85210 ppm1 6.059 ppm2 -0.250 >>ASSI { 2772} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2772 weight 0.1000E+01 volume 59.92750 ppm1 6.058 ppm2 -1.489 >>ASSI { 2782} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2782 weight 0.1000E+01 volume 25.05450 ppm1 6.615 ppm2 -0.257 >>ASSI { 2792} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2792 weight 0.1000E+01 volume 26.11970 ppm1 6.862 ppm2 -0.253 >>ASSI { 2802} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2802 weight 0.1000E+01 volume 11.29120 ppm1 6.853 ppm2 -1.501 >>ASSI { 2812} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2812 weight 0.1000E+01 volume 13.98190 ppm1 6.721 ppm2 -0.255 >>ASSI { 2822} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2822 weight 0.1000E+01 volume 7.54150 ppm1 7.042 ppm2 -0.257 >>ASSI { 2832} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 2832 weight 0.1000E+01 volume 35.29490 ppm1 7.186 ppm2 -0.257 >>ASSI { 2842} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2842 weight 0.1000E+01 volume 21.15590 ppm1 7.193 ppm2 -1.498 >>ASSI { 2852} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 2852 weight 0.1000E+01 volume 19.79640 ppm1 7.045 ppm2 -1.496 >>ASSI { 2862} >> (( segid "PROT" and resid 98 and name HG1# )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 2862 weight 0.1000E+01 volume 11.10700 ppm1 0.812 ppm2 3.292 >>ASSI { 2872} >> (( segid "PROT" and resid 98 and name HG2# )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 2872 weight 0.1000E+01 volume 8.21310 ppm1 0.633 ppm2 3.287 >>ASSI { 2882} >> (( segid "PROT" and resid 98 and name HB )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 2882 weight 0.1000E+01 volume 7.47530 ppm1 1.661 ppm2 3.294 >>ASSI { 2892} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 2892 weight 0.1000E+01 volume 13.59900 ppm1 0.351 ppm2 1.787 >>ASSI { 2902} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 2902 weight 0.1000E+01 volume 26.02210 ppm1 0.256 ppm2 1.784 >>ASSI { 2912} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 2912 weight 0.1000E+01 volume 33.23340 ppm1 2.295 ppm2 0.892 >>ASSI { 2922} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 2922 weight 0.1000E+01 volume 342.00119 ppm1 0.673 ppm2 0.898 >>ASSI { 2932} >> (( segid "PROT" and resid 75 and name HB2 )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 2932 weight 0.1000E+01 volume 61.23800 ppm1 3.258 ppm2 4.191 >>ASSI { 2942} >> (( segid "PROT" and resid 75 and name HB1 )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 2942 weight 0.1000E+01 volume 54.08290 ppm1 3.608 ppm2 4.197 >>ASSI { 2952} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 2952 weight 0.1000E+01 volume 14.06620 ppm1 7.546 ppm2 4.198 >>ASSI { 2962} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 2962 weight 0.1000E+01 volume 9.75600 ppm1 7.483 ppm2 4.197 >>ASSI { 2972} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 2972 weight 0.1000E+01 volume 25.16260 ppm1 4.204 ppm2 3.610 >>ASSI { 2982} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 2982 weight 0.1000E+01 volume 40.41210 ppm1 4.204 ppm2 3.262 >>ASSI { 2992} >> (( segid "PROT" and resid 75 and name HB2 )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 2992 weight 0.1000E+01 volume 71.71010 ppm1 3.260 ppm2 3.607 >>ASSI { 3002} >> (( segid "PROT" and resid 75 and name HB1 )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 3002 weight 0.1000E+01 volume 65.55940 ppm1 3.602 ppm2 3.277 >>ASSI { 3012} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 3012 weight 0.1000E+01 volume 8.30950 ppm1 7.540 ppm2 3.264 >>ASSI { 3022} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 3022 weight 0.1000E+01 volume 18.21170 ppm1 7.477 ppm2 3.268 >>ASSI { 3032} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 3032 weight 0.1000E+01 volume 4.31320 ppm1 7.546 ppm2 3.597 >>ASSI { 3042} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 3042 weight 0.1000E+01 volume 14.44380 ppm1 7.476 ppm2 3.600 >>ASSI { 3052} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 3052 weight 0.1000E+01 volume 6.56470 ppm1 3.984 ppm2 3.103 >>ASSI { 3062} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 3062 weight 0.1000E+01 volume 8.79410 ppm1 3.982 ppm2 3.296 >>ASSI { 3072} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 3072 weight 0.1000E+01 volume 7.76700 ppm1 7.477 ppm2 3.290 >>ASSI { 3082} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 3082 weight 0.1000E+01 volume 6.51620 ppm1 7.473 ppm2 3.099 >>ASSI { 3092} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 3092 weight 0.1000E+01 volume 4.78570 ppm1 7.899 ppm2 3.277 >>ASSI { 3102} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3102 weight 0.1000E+01 volume 8.59740 ppm1 3.289 ppm2 3.973 >>ASSI { 3112} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3112 weight 0.1000E+01 volume 20.69740 ppm1 3.097 ppm2 3.973 >>ASSI { 3122} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3122 weight 0.1000E+01 volume 1.37620 ppm1 -1.494 ppm2 3.977 >>ASSI { 3132} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3132 weight 0.1000E+01 volume 19.77790 ppm1 6.058 ppm2 3.980 >>ASSI { 3142} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3142 weight 0.1000E+01 volume 7.80500 ppm1 7.483 ppm2 3.975 >>ASSI { 3152} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 3152 weight 0.1000E+01 volume 19.28220 ppm1 7.897 ppm2 3.978 >>ASSI { 3162} >> (( segid "PROT" and resid 55 and name HB1 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 3162 weight 0.1000E+01 volume 45.11730 ppm1 2.737 ppm2 5.243 >>ASSI { 3172} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 3172 weight 0.1000E+01 volume 67.87960 ppm1 5.248 ppm2 2.741 >>ASSI { 3182} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 3182 weight 0.1000E+01 volume 10.12780 ppm1 1.981 ppm2 5.245 >>ASSI { 3192} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 3192 weight 0.1000E+01 volume 9.11060 ppm1 2.136 ppm2 5.247 >>ASSI { 3202} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 3202 weight 0.1000E+01 volume 55.59060 ppm1 3.443 ppm2 5.245 >>ASSI { 3212} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 3212 weight 0.1000E+01 volume 68.13080 ppm1 3.693 ppm2 5.243 >>ASSI { 3222} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 3222 weight 0.1000E+01 volume 90.50010 ppm1 0.886 ppm2 2.732 >>ASSI { 3232} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 3232 weight 0.1000E+01 volume 74.02950 ppm1 1.106 ppm2 2.737 >>ASSI { 3242} >> (( segid "PROT" and resid 51 and name HB1 )) >> (( segid "PROT" and resid 51 and name HB2 )) >> 6 6 0 peak 3242 weight 0.1000E+01 volume 87.73130 ppm1 2.946 ppm2 2.683 >>ASSI { 3252} >> (( segid "PROT" and resid 51 and name HB2 )) >> (( segid "PROT" and resid 51 and name HB1 )) >> 6 6 0 peak 3252 weight 0.1000E+01 volume 226.56210 ppm1 2.693 ppm2 2.914 >>ASSI { 3262} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 3262 weight 0.1000E+01 volume 7.42510 ppm1 3.439 ppm2 2.734 >>ASSI { 3272} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 3272 weight 0.1000E+01 volume 21.02190 ppm1 2.894 ppm2 3.707 >>ASSI { 3282} >> (( segid "PROT" and resid 26 and name HA )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 3282 weight 0.1000E+01 volume 28.30750 ppm1 3.712 ppm2 2.898 >>ASSI { 3292} >> (( segid "PROT" and resid 23 and name HA )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 3292 weight 0.1000E+01 volume 58.24110 ppm1 4.023 ppm2 2.898 >>ASSI { 3302} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 3302 weight 0.1000E+01 volume 9.91860 ppm1 6.610 ppm2 2.890 >>ASSI { 3312} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 3312 weight 0.1000E+01 volume 46.08170 ppm1 6.964 ppm2 2.893 >>ASSI { 3322} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 3322 weight 0.1000E+01 volume 16.84180 ppm1 0.233 ppm2 3.709 >>ASSI { 3332} >> (( segid "PROT" and resid 32 and name HA )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 3332 weight 0.1000E+01 volume 8.80900 ppm1 4.383 ppm2 3.706 >>ASSI { 3342} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 3342 weight 0.1000E+01 volume 1.22800 ppm1 6.609 ppm2 3.709 >>ASSI { 3352} >> (( segid "PROT" and resid 80 and name HB1 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 3352 weight 0.1000E+01 volume 7.44120 ppm1 2.792 ppm2 3.386 >>ASSI { 3362} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 3362 weight 0.1000E+01 volume 7.46970 ppm1 2.641 ppm2 3.381 >>ASSI { 3372} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 3372 weight 0.1000E+01 volume 5.09310 ppm1 0.238 ppm2 3.383 >>ASSI { 3382} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 3382 weight 0.1000E+01 volume 16.30600 ppm1 6.727 ppm2 3.380 >>ASSI { 3392} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 3392 weight 0.1000E+01 volume 15.84400 ppm1 0.236 ppm2 2.655 >>ASSI { 3402} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 3402 weight 0.1000E+01 volume 11.69410 ppm1 6.725 ppm2 2.657 >>ASSI { 3412} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 3412 weight 0.1000E+01 volume 7.83430 ppm1 6.623 ppm2 2.646 >>ASSI { 3422} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 3422 weight 0.1000E+01 volume 42.78790 ppm1 7.431 ppm2 4.978 >>ASSI { 3432} >> (( segid "PROT" and resid 50 and name HB1 )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 3432 weight 0.1000E+01 volume 22.65440 ppm1 3.483 ppm2 4.974 >>ASSI { 3442} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 50 and name HB2 )) >> 6 6 0 peak 3442 weight 0.1000E+01 volume 8.26030 ppm1 7.437 ppm2 2.941 >>ASSI { 3452} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 50 and name HB1 )) >> 6 6 0 peak 3452 weight 0.1000E+01 volume 7.84250 ppm1 7.437 ppm2 3.484 >>ASSI { 3462} >> (( segid "PROT" and resid 50 and name HB2 )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 3462 weight 0.1000E+01 volume 23.74040 ppm1 2.934 ppm2 4.976 >>ASSI { 3472} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 50 and name HB1 )) >> 6 6 0 peak 3472 weight 0.1000E+01 volume 10.56030 ppm1 4.979 ppm2 3.486 >>ASSI { 3482} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 50 and name HB2 )) >> 6 6 0 peak 3482 weight 0.1000E+01 volume 8.56060 ppm1 4.982 ppm2 2.939 >>ASSI { 3492} >> (( segid "PROT" and resid 50 and name HB1 )) >> (( segid "PROT" and resid 50 and name HB2 )) >> 6 6 0 peak 3492 weight 0.1000E+01 volume 51.68760 ppm1 3.476 ppm2 2.939 >>ASSI { 3502} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 3502 weight 0.1000E+01 volume 35.00980 ppm1 6.944 ppm2 4.009 >>ASSI { 3512} >> (( segid "PROT" and resid 49 and name HB1 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 3512 weight 0.1000E+01 volume 11.49640 ppm1 2.750 ppm2 3.581 >>ASSI { 3522} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 3522 weight 0.1000E+01 volume 100.59170 ppm1 0.992 ppm2 3.995 >>ASSI { 3532} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 3532 weight 0.1000E+01 volume 16.56270 ppm1 0.447 ppm2 1.819 >>ASSI { 3542} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 3542 weight 0.1000E+01 volume 13.32960 ppm1 0.348 ppm2 3.915 >>ASSI { 3552} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 3552 weight 0.1000E+01 volume 30.26840 ppm1 0.346 ppm2 1.689 >>ASSI { 3562} >> (( segid "PROT" and resid 62 and name HA )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3562 weight 0.1000E+01 volume 21.01510 ppm1 3.911 ppm2 0.345 >>ASSI { 3572} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3572 weight 0.1000E+01 volume 133.84430 ppm1 0.345 ppm2 1.161 >>ASSI { 3582} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 3582 weight 0.1000E+01 volume 23.63770 ppm1 1.155 ppm2 3.917 >>ASSI { 3592} >> (( segid "PROT" and resid 62 and name HA )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3592 weight 0.1000E+01 volume 53.64890 ppm1 3.916 ppm2 1.161 >>ASSI { 3602} >> (( segid "PROT" and resid 62 and name HB )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 3602 weight 0.1000E+01 volume 7.80500 ppm1 1.695 ppm2 3.920 >>ASSI { 3612} >> (( segid "PROT" and resid 62 and name HA )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 3612 weight 0.1000E+01 volume 5.73490 ppm1 3.917 ppm2 1.690 >>ASSI { 3622} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 3622 weight 0.1000E+01 volume 17.94760 ppm1 3.840 ppm2 1.692 >>ASSI { 3632} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 3632 weight 0.1000E+01 volume 4.53150 ppm1 0.578 ppm2 1.687 >>ASSI { 3642} >> (( segid "PROT" and resid 62 and name HB )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3642 weight 0.1000E+01 volume 45.97660 ppm1 1.696 ppm2 0.343 >>ASSI { 3652} >> (( segid "PROT" and resid 62 and name HG12 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3652 weight 0.1000E+01 volume 78.19450 ppm1 0.887 ppm2 0.341 >>ASSI { 3662} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3662 weight 0.1000E+01 volume 77.73760 ppm1 6.614 ppm2 1.161 >>ASSI { 3672} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3672 weight 0.1000E+01 volume 23.98650 ppm1 6.720 ppm2 1.162 >>ASSI { 3682} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3682 weight 0.1000E+01 volume 14.34150 ppm1 2.486 ppm2 1.160 >>ASSI { 3692} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3692 weight 0.1000E+01 volume 27.92370 ppm1 -0.257 ppm2 1.156 >>ASSI { 3702} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3702 weight 0.1000E+01 volume 22.93170 ppm1 -1.490 ppm2 0.342 >>ASSI { 3712} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3712 weight 0.1000E+01 volume 97.29720 ppm1 -0.256 ppm2 0.342 >>ASSI { 3722} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3722 weight 0.1000E+01 volume 23.84370 ppm1 0.577 ppm2 0.336 >>ASSI { 3732} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3732 weight 0.1000E+01 volume 90.38260 ppm1 1.174 ppm2 0.346 >>ASSI { 3742} >> (( segid "PROT" and resid 62 and name HG11 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3742 weight 0.1000E+01 volume 41.23820 ppm1 1.895 ppm2 0.343 >>ASSI { 3752} >> (( segid "PROT" and resid 84 and name HB1 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3752 weight 0.1000E+01 volume 21.97830 ppm1 2.199 ppm2 0.347 >>ASSI { 3762} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3762 weight 0.1000E+01 volume 3.44480 ppm1 6.725 ppm2 0.345 >>ASSI { 3772} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3772 weight 0.1000E+01 volume 63.21270 ppm1 0.563 ppm2 3.629 >>ASSI { 3782} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 3782 weight 0.1000E+01 volume 32.94890 ppm1 0.568 ppm2 1.109 >>ASSI { 3792} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3792 weight 0.1000E+01 volume 12.00850 ppm1 0.567 ppm2 1.506 >>ASSI { 3802} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3802 weight 0.1000E+01 volume 147.21660 ppm1 0.394 ppm2 0.564 >>ASSI { 3812} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3812 weight 0.1000E+01 volume 7.03450 ppm1 0.390 ppm2 3.630 >>ASSI { 3822} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3822 weight 0.1000E+01 volume 29.50000 ppm1 0.956 ppm2 3.625 >>ASSI { 3832} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3832 weight 0.1000E+01 volume 28.08500 ppm1 1.116 ppm2 3.621 >>ASSI { 3842} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3842 weight 0.1000E+01 volume 17.44330 ppm1 1.651 ppm2 3.632 >>ASSI { 3852} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3852 weight 0.1000E+01 volume 35.47190 ppm1 2.158 ppm2 3.623 >>ASSI { 3862} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3862 weight 0.1000E+01 volume 3.47420 ppm1 6.059 ppm2 3.629 >>ASSI { 3872} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3872 weight 0.1000E+01 volume 29.01630 ppm1 0.394 ppm2 1.508 >>ASSI { 3882} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3882 weight 0.1000E+01 volume 21.74230 ppm1 1.112 ppm2 1.520 >>ASSI { 3892} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 3892 weight 0.1000E+01 volume 30.64860 ppm1 1.510 ppm2 1.113 >>ASSI { 3902} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 3902 weight 0.1000E+01 volume 5.43270 ppm1 1.646 ppm2 1.111 >>ASSI { 3912} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3912 weight 0.1000E+01 volume 11.91120 ppm1 3.634 ppm2 1.516 >>ASSI { 3922} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 3922 weight 0.1000E+01 volume 22.84900 ppm1 3.632 ppm2 1.121 >>ASSI { 3932} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3932 weight 0.1000E+01 volume 25.52560 ppm1 6.058 ppm2 1.502 >>ASSI { 3942} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 3942 weight 0.1000E+01 volume 20.20310 ppm1 6.057 ppm2 1.125 >>ASSI { 3952} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 3952 weight 0.1000E+01 volume 9.94490 ppm1 -1.497 ppm2 0.574 >>ASSI { 3962} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3962 weight 0.1000E+01 volume 81.83070 ppm1 0.232 ppm2 0.563 >>ASSI { 3972} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3972 weight 0.1000E+01 volume 180.59430 ppm1 1.100 ppm2 0.563 >>ASSI { 3982} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3982 weight 0.1000E+01 volume 73.71660 ppm1 1.520 ppm2 0.563 >>ASSI { 3992} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3992 weight 0.1000E+01 volume 161.23340 ppm1 1.648 ppm2 0.564 >>ASSI { 4002} >> (( segid "PROT" and resid 28 and name HG2 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4002 weight 0.1000E+01 volume 92.14370 ppm1 2.051 ppm2 0.567 >>ASSI { 4012} >> (( segid "PROT" and resid 28 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4012 weight 0.1000E+01 volume 62.92390 ppm1 2.137 ppm2 0.563 >>ASSI { 4022} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4022 weight 0.1000E+01 volume 52.73810 ppm1 2.300 ppm2 0.563 >>ASSI { 4032} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4032 weight 0.1000E+01 volume 33.66140 ppm1 2.801 ppm2 0.564 >>ASSI { 4042} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4042 weight 0.1000E+01 volume 64.18540 ppm1 3.635 ppm2 0.566 >>ASSI { 4052} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4052 weight 0.1000E+01 volume 57.26450 ppm1 4.108 ppm2 0.563 >>ASSI { 4062} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 4062 weight 0.1000E+01 volume 10.99420 ppm1 6.052 ppm2 0.566 >>ASSI { 4072} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 4072 weight 0.1000E+01 volume 18.49540 ppm1 6.149 ppm2 0.739 >>ASSI { 4082} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 4082 weight 0.1000E+01 volume 256.56851 ppm1 4.434 ppm2 0.656 >>ASSI { 4092} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 4092 weight 0.1000E+01 volume 31.74070 ppm1 4.437 ppm2 0.606 >>ASSI { 4102} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 4102 weight 0.1000E+01 volume 127.83420 ppm1 0.662 ppm2 4.433 >>ASSI { 4112} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 4112 weight 0.1000E+01 volume 49.44690 ppm1 0.659 ppm2 1.628 >>ASSI { 4122} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 4122 weight 0.1000E+01 volume 45.81440 ppm1 0.612 ppm2 1.764 >>ASSI { 4132} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 120 and name HG )) >> 6 6 0 peak 4132 weight 0.1000E+01 volume 78.34210 ppm1 0.661 ppm2 1.783 >>ASSI { 4142} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 120 and name HG )) >> 6 6 0 peak 4142 weight 0.1000E+01 volume 55.92010 ppm1 0.614 ppm2 1.788 >>ASSI { 4152} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 4152 weight 0.1000E+01 volume 14.48730 ppm1 0.447 ppm2 4.458 >>ASSI { 4162} >> (( segid "PROT" and resid 90 and name HD2# )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 4162 weight 0.1000E+01 volume 21.81770 ppm1 0.989 ppm2 4.459 >>ASSI { 4172} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 4172 weight 0.1000E+01 volume 46.02430 ppm1 0.659 ppm2 1.768 >>ASSI { 4182} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 4182 weight 0.1000E+01 volume 29.12310 ppm1 0.613 ppm2 1.628 >>ASSI { 4192} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 4192 weight 0.1000E+01 volume 10.14180 ppm1 0.238 ppm2 1.718 >>ASSI { 4202} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 4202 weight 0.1000E+01 volume 65.52610 ppm1 1.350 ppm2 1.726 >>ASSI { 4212} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 4212 weight 0.1000E+01 volume 71.91420 ppm1 1.631 ppm2 1.771 >>ASSI { 4222} >> (( segid "PROT" and resid 120 and name HB1 )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 4222 weight 0.1000E+01 volume 170.60100 ppm1 1.774 ppm2 1.628 >>ASSI { 4232} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 4232 weight 0.1000E+01 volume 4.83810 ppm1 3.841 ppm2 1.732 >>ASSI { 4242} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 4242 weight 0.1000E+01 volume 86.00540 ppm1 4.435 ppm2 1.773 >>ASSI { 4252} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 4252 weight 0.1000E+01 volume 48.32230 ppm1 4.432 ppm2 1.633 >>ASSI { 4262} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 120 and name HG )) >> 6 6 0 peak 4262 weight 0.1000E+01 volume 12.93660 ppm1 4.435 ppm2 1.785 >>ASSI { 4272} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 4272 weight 0.1000E+01 volume 48.23740 ppm1 -1.493 ppm2 0.670 >>ASSI { 4282} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 4282 weight 0.1000E+01 volume 172.17860 ppm1 1.629 ppm2 0.608 >>ASSI { 4292} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 4292 weight 0.1000E+01 volume 426.09991 ppm1 1.781 ppm2 0.610 >>ASSI { 4302} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 4302 weight 0.1000E+01 volume 19.20510 ppm1 3.784 ppm2 0.618 >>ASSI { 4322} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 4322 weight 0.1000E+01 volume 48.19300 ppm1 6.061 ppm2 0.665 >>ASSI { 4332} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 4332 weight 0.1000E+01 volume 50.15680 ppm1 7.046 ppm2 0.668 >>ASSI { 4342} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 4342 weight 0.1000E+01 volume 399.03201 ppm1 1.783 ppm2 0.660 >>ASSI { 4352} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 4352 weight 0.1000E+01 volume 102.52940 ppm1 1.632 ppm2 0.660 >>ASSI { 4362} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 4362 weight 0.1000E+01 volume 30.82260 ppm1 3.786 ppm2 0.658 >>ASSI { 4372} >> (( segid "PROT" and resid 40 and name HB2 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 4372 weight 0.1000E+01 volume 27.16270 ppm1 2.384 ppm2 5.085 >>ASSI { 4382} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 4382 weight 0.1000E+01 volume 6.58340 ppm1 -0.363 ppm2 5.084 >>ASSI { 4392} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 4392 weight 0.1000E+01 volume 48.58690 ppm1 3.801 ppm2 5.084 >>ASSI { 4402} >> (( segid "PROT" and resid 102 and name HB1 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 4402 weight 0.1000E+01 volume 33.14950 ppm1 3.040 ppm2 3.237 >>ASSI { 4412} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 4412 weight 0.1000E+01 volume 11.94840 ppm1 0.394 ppm2 3.239 >>ASSI { 4422} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 4422 weight 0.1000E+01 volume 8.53610 ppm1 7.031 ppm2 3.237 >>ASSI { 4432} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 4432 weight 0.1000E+01 volume 6.56040 ppm1 7.354 ppm2 3.236 >>ASSI { 4442} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 4442 weight 0.1000E+01 volume 33.49580 ppm1 0.837 ppm2 4.350 >>ASSI { 4452} >> (( segid "PROT" and resid 66 and name HB1 )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 4452 weight 0.1000E+01 volume 62.86240 ppm1 1.933 ppm2 4.347 >>ASSI { 4472} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 4472 weight 0.1000E+01 volume 21.56540 ppm1 6.874 ppm2 4.353 >>ASSI { 4482} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 4482 weight 0.1000E+01 volume 32.47490 ppm1 0.838 ppm2 1.924 >>ASSI { 4492} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 4492 weight 0.1000E+01 volume 53.94190 ppm1 0.737 ppm2 1.932 >>ASSI { 4502} >> (( segid "PROT" and resid 66 and name HB2 )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 4502 weight 0.1000E+01 volume 149.92300 ppm1 1.748 ppm2 1.924 >>ASSI { 4512} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 66 and name HG )) >> 6 6 0 peak 4512 weight 0.1000E+01 volume 88.15190 ppm1 0.739 ppm2 1.720 >>ASSI { 4522} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 4522 weight 0.1000E+01 volume 19.27050 ppm1 6.612 ppm2 0.834 >>ASSI { 4532} >> (( segid "PROT" and resid 66 and name HB2 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 4532 weight 0.1000E+01 volume 330.33780 ppm1 1.753 ppm2 0.834 >>ASSI { 4542} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 4542 weight 0.1000E+01 volume 103.94100 ppm1 0.236 ppm2 0.837 >>ASSI { 4552} >> (( segid "PROT" and resid 16 and name HG2 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 4552 weight 0.1000E+01 volume 50.14890 ppm1 2.400 ppm2 3.919 >>ASSI { 4562} >> (( segid "PROT" and resid 16 and name HA )) >> (( segid "PROT" and resid 16 and name HG1 )) >> 6 6 0 peak 4562 weight 0.1000E+01 volume 75.22950 ppm1 3.923 ppm2 2.484 >>ASSI { 4572} >> (( segid "PROT" and resid 16 and name HB2 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 4572 weight 0.1000E+01 volume 160.00810 ppm1 2.075 ppm2 3.921 >>ASSI { 4582} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 4582 weight 0.1000E+01 volume 51.90460 ppm1 7.327 ppm2 2.866 >>ASSI { 4592} >> (( segid "PROT" and resid 9 and name HA )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 4592 weight 0.1000E+01 volume 82.34560 ppm1 4.652 ppm2 2.863 >>ASSI { 4602} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 4602 weight 0.1000E+01 volume 29.65640 ppm1 4.163 ppm2 2.839 >>ASSI { 4612} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 9 and name HA )) >> 6 6 0 peak 4612 weight 0.1000E+01 volume 60.00880 ppm1 2.866 ppm2 4.641 >>ASSI { 4622} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 9 and name HA )) >> 6 6 0 peak 4622 weight 0.1000E+01 volume 13.02130 ppm1 7.313 ppm2 4.643 >>ASSI { 4632} >> (( segid "PROT" and resid 13 and name HB1 )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 4632 weight 0.1000E+01 volume 97.92800 ppm1 2.340 ppm2 4.139 >>ASSI { 4642} >> (( segid "PROT" and resid 117 and name HB1 )) >> (( segid "PROT" and resid 117 and name HB2 )) >> 6 6 0 peak 4642 weight 0.1000E+01 volume 430.58740 ppm1 2.202 ppm2 1.976 >>ASSI { 4652} >> (( segid "PROT" and resid 13 and name HA )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 4652 weight 0.1000E+01 volume 174.42239 ppm1 4.139 ppm2 2.341 >>ASSI { 4662} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 4662 weight 0.1000E+01 volume 190.27890 ppm1 2.207 ppm2 4.130 >>ASSI { 4672} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 4672 weight 0.1000E+01 volume 25.57600 ppm1 4.434 ppm2 2.309 >>ASSI { 4682} >> (( segid "PROT" and resid 10 and name HB2 )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 4682 weight 0.1000E+01 volume 33.75870 ppm1 1.675 ppm2 2.341 >>ASSI { 4692} >> (( segid "PROT" and resid 12 and name HA )) >> (( segid "PROT" and resid 12 and name HG1 )) >> 6 6 0 peak 4692 weight 0.1000E+01 volume 248.88049 ppm1 4.150 ppm2 2.333 >>ASSI { 4702} >> (( segid "PROT" and resid 12 and name HA )) >> (( segid "PROT" and resid 12 and name HB1 )) >> 6 6 0 peak 4702 weight 0.1000E+01 volume 326.53720 ppm1 4.145 ppm2 2.037 >>ASSI { 4712} >> (( segid "PROT" and resid 12 and name HG1 )) >> (( segid "PROT" and resid 12 and name HA )) >> 6 6 0 peak 4712 weight 0.1000E+01 volume 65.20830 ppm1 2.342 ppm2 4.144 >>ASSI { 4722} >> (( segid "PROT" and resid 67 and name HB1 )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 4722 weight 0.1000E+01 volume 67.49200 ppm1 2.839 ppm2 4.162 >>ASSI { 4742} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 4742 weight 0.1000E+01 volume 12.49080 ppm1 1.507 ppm2 4.166 >>ASSI { 4752} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 4752 weight 0.1000E+01 volume 151.65250 ppm1 4.260 ppm2 2.045 >>ASSI { 4762} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 4762 weight 0.1000E+01 volume 140.19099 ppm1 3.768 ppm2 2.040 >>ASSI { 4772} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 4772 weight 0.1000E+01 volume 115.54720 ppm1 3.520 ppm2 2.038 >>ASSI { 4782} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 4782 weight 0.1000E+01 volume 19.22240 ppm1 4.617 ppm2 2.431 >>ASSI { 4792} >> (( segid "PROT" and resid 12 and name HB1 )) >> (( segid "PROT" and resid 12 and name HG1 )) >> 6 6 0 peak 4792 weight 0.1000E+01 volume 251.66679 ppm1 2.041 ppm2 2.335 >>ASSI { 4802} >> (( segid "PROT" and resid 51 and name HB1 )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 4802 weight 0.1000E+01 volume 51.60450 ppm1 2.944 ppm2 4.462 >>ASSI { 4812} >> (( segid "PROT" and resid 51 and name HA )) >> (( segid "PROT" and resid 51 and name HB1 )) >> 6 6 0 peak 4812 weight 0.1000E+01 volume 35.28530 ppm1 4.463 ppm2 2.942 >>ASSI { 4822} >> (( segid "PROT" and resid 51 and name HA )) >> (( segid "PROT" and resid 51 and name HB2 )) >> 6 6 0 peak 4822 weight 0.1000E+01 volume 37.23380 ppm1 4.459 ppm2 2.689 >>ASSI { 4832} >> (( segid "PROT" and resid 52 and name HA )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 4832 weight 0.1000E+01 volume 64.41250 ppm1 4.000 ppm2 0.998 >>ASSI { 4842} >> (( segid "PROT" and resid 52 and name HA )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4842 weight 0.1000E+01 volume 131.39211 ppm1 3.994 ppm2 0.886 >>ASSI { 4852} >> (( segid "PROT" and resid 52 and name HA )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 4852 weight 0.1000E+01 volume 44.08580 ppm1 3.988 ppm2 1.391 >>ASSI { 4862} >> (( segid "PROT" and resid 52 and name HG12 )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 4862 weight 0.1000E+01 volume 36.48920 ppm1 1.403 ppm2 3.988 >>ASSI { 4872} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 4872 weight 0.1000E+01 volume 76.85870 ppm1 0.883 ppm2 3.990 >>ASSI { 4882} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 4882 weight 0.1000E+01 volume 63.71390 ppm1 0.883 ppm2 1.819 >>ASSI { 4892} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 4892 weight 0.1000E+01 volume 68.60310 ppm1 0.986 ppm2 1.559 >>ASSI { 4902} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 4902 weight 0.1000E+01 volume 84.18940 ppm1 0.884 ppm2 1.559 >>ASSI { 4912} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 4912 weight 0.1000E+01 volume 34.41670 ppm1 6.707 ppm2 1.000 >>ASSI { 4922} >> (( segid "PROT" and resid 53 and name HA )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 4922 weight 0.1000E+01 volume 14.48070 ppm1 3.539 ppm2 0.997 >>ASSI { 4932} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 4932 weight 0.1000E+01 volume 203.73090 ppm1 1.826 ppm2 0.995 >>ASSI { 4942} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 4942 weight 0.1000E+01 volume 83.89900 ppm1 0.446 ppm2 0.995 >>ASSI { 4952} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4952 weight 0.1000E+01 volume 13.92940 ppm1 6.910 ppm2 0.881 >>ASSI { 4962} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4962 weight 0.1000E+01 volume 85.88030 ppm1 6.707 ppm2 0.883 >>ASSI { 4972} >> (( segid "PROT" and resid 48 and name HB1 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4972 weight 0.1000E+01 volume 10.15610 ppm1 3.122 ppm2 0.879 >>ASSI { 4982} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4982 weight 0.1000E+01 volume 74.96340 ppm1 1.831 ppm2 0.885 >>ASSI { 4992} >> (( segid "PROT" and resid 52 and name HG12 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 4992 weight 0.1000E+01 volume 149.66220 ppm1 1.400 ppm2 0.881 >>ASSI { 5002} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 5002 weight 0.1000E+01 volume 91.98610 ppm1 1.017 ppm2 0.884 >>ASSI { 5012} >> (( segid "PROT" and resid 107 and name HB1 )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 5012 weight 0.1000E+01 volume 126.91110 ppm1 2.263 ppm2 4.142 >>ASSI { 5022} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 5022 weight 0.1000E+01 volume 34.94950 ppm1 2.506 ppm2 1.982 >>ASSI { 5032} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 5032 weight 0.1000E+01 volume 70.02520 ppm1 4.134 ppm2 2.485 >>ASSI { 5042} >> (( segid "PROT" and resid 107 and name HG1 )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 5042 weight 0.1000E+01 volume 39.55350 ppm1 2.498 ppm2 4.131 >>ASSI { 5052} >> (( segid "PROT" and resid 107 and name HB1 )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 5052 weight 0.1000E+01 volume 523.97632 ppm1 2.199 ppm2 2.486 >>ASSI { 5062} >> (( segid "PROT" and resid 114 and name HB1 )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 5062 weight 0.1000E+01 volume 31.10280 ppm1 2.835 ppm2 4.554 >>ASSI { 5072} >> (( segid "PROT" and resid 114 and name HB2 )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 5072 weight 0.1000E+01 volume 22.63580 ppm1 2.688 ppm2 4.549 >>ASSI { 5082} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 5082 weight 0.1000E+01 volume 88.13830 ppm1 4.552 ppm2 2.844 >>ASSI { 5092} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 5092 weight 0.1000E+01 volume 38.86500 ppm1 4.553 ppm2 2.679 >>ASSI { 5102} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 5102 weight 0.1000E+01 volume 38.21580 ppm1 3.516 ppm2 2.841 >>ASSI { 5112} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 5112 weight 0.1000E+01 volume 19.98390 ppm1 3.515 ppm2 2.675 >>ASSI { 5122} >> (( segid "PROT" and resid 114 and name HB2 )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 5122 weight 0.1000E+01 volume 184.14850 ppm1 2.684 ppm2 2.837 >>ASSI { 5132} >> (( segid "PROT" and resid 114 and name HB1 )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 5132 weight 0.1000E+01 volume 346.30719 ppm1 2.839 ppm2 2.684 >>ASSI { 5142} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 5142 weight 0.1000E+01 volume 19.19760 ppm1 2.040 ppm2 2.684 >>ASSI { 5152} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 5152 weight 0.1000E+01 volume 13.72630 ppm1 2.040 ppm2 2.851 >>ASSI { 5162} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 5162 weight 0.1000E+01 volume 47.62800 ppm1 5.244 ppm2 3.691 >>ASSI { 5172} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5172 weight 0.1000E+01 volume 34.40170 ppm1 5.249 ppm2 3.432 >>ASSI { 5182} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 5182 weight 0.1000E+01 volume 91.92640 ppm1 2.139 ppm2 3.698 >>ASSI { 5192} >> (( segid "PROT" and resid 56 and name HG1 )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5192 weight 0.1000E+01 volume 106.69040 ppm1 2.139 ppm2 3.448 >>ASSI { 5202} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5202 weight 0.1000E+01 volume 61.26340 ppm1 3.695 ppm2 3.443 >>ASSI { 5212} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5212 weight 0.1000E+01 volume 86.95500 ppm1 1.981 ppm2 3.448 >>ASSI { 5222} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 5222 weight 0.1000E+01 volume 68.57390 ppm1 1.973 ppm2 3.702 >>ASSI { 5232} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5232 weight 0.1000E+01 volume 5.83920 ppm1 0.612 ppm2 3.437 >>ASSI { 5242} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5242 weight 0.1000E+01 volume 5.57020 ppm1 4.550 ppm2 3.754 >>ASSI { 5252} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5252 weight 0.1000E+01 volume 6.45330 ppm1 4.553 ppm2 3.508 >>ASSI { 5262} >> (( segid "PROT" and resid 112 and name HA )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5262 weight 0.1000E+01 volume 8.87870 ppm1 4.116 ppm2 3.518 >>ASSI { 5272} >> (( segid "PROT" and resid 112 and name HA )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5272 weight 0.1000E+01 volume 17.66530 ppm1 4.114 ppm2 3.754 >>ASSI { 5282} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5282 weight 0.1000E+01 volume 81.86390 ppm1 3.763 ppm2 3.518 >>ASSI { 5292} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5292 weight 0.1000E+01 volume 116.57590 ppm1 3.514 ppm2 3.766 >>ASSI { 5302} >> (( segid "PROT" and resid 114 and name HB1 )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5302 weight 0.1000E+01 volume 26.52120 ppm1 2.841 ppm2 3.763 >>ASSI { 5312} >> (( segid "PROT" and resid 114 and name HB1 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5312 weight 0.1000E+01 volume 40.00560 ppm1 2.840 ppm2 3.518 >>ASSI { 5322} >> (( segid "PROT" and resid 114 and name HB2 )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5322 weight 0.1000E+01 volume 45.36940 ppm1 2.691 ppm2 3.763 >>ASSI { 5332} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5332 weight 0.1000E+01 volume 122.79030 ppm1 2.041 ppm2 3.760 >>ASSI { 5342} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5342 weight 0.1000E+01 volume 90.73140 ppm1 2.044 ppm2 3.511 >>ASSI { 5352} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 5352 weight 0.1000E+01 volume 2.90990 ppm1 0.269 ppm2 3.743 >>ASSI { 5362} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5362 weight 0.1000E+01 volume 9.79210 ppm1 4.266 ppm2 3.752 >>ASSI { 5372} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5372 weight 0.1000E+01 volume 14.61470 ppm1 4.267 ppm2 3.519 >>ASSI { 5382} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 5382 weight 0.1000E+01 volume 9.73510 ppm1 5.247 ppm2 2.129 >>ASSI { 5392} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 5392 weight 0.1000E+01 volume 3.92750 ppm1 5.247 ppm2 1.977 >>ASSI { 5402} >> (( segid "PROT" and resid 50 and name HE1 )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 5402 weight 0.1000E+01 volume 40.24620 ppm1 7.399 ppm2 2.136 >>ASSI { 5412} >> (( segid "PROT" and resid 50 and name HE1 )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 5412 weight 0.1000E+01 volume 23.77450 ppm1 7.403 ppm2 1.977 >>ASSI { 5422} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 5422 weight 0.1000E+01 volume 2.29310 ppm1 6.150 ppm2 1.979 >>ASSI { 5432} >> (( segid "PROT" and resid 16 and name HA )) >> (( segid "PROT" and resid 16 and name HB1 )) >> 6 6 0 peak 5432 weight 0.1000E+01 volume 261.26669 ppm1 3.924 ppm2 2.107 >>ASSI { 5442} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 5442 weight 0.1000E+01 volume 68.31700 ppm1 3.448 ppm2 1.966 >>ASSI { 5452} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 5452 weight 0.1000E+01 volume 7.41650 ppm1 3.769 ppm2 4.260 >>ASSI { 5462} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 5462 weight 0.1000E+01 volume 2.42170 ppm1 3.514 ppm2 4.260 >>ASSI { 5472} >> (( segid "PROT" and resid 115 and name HB1 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 5472 weight 0.1000E+01 volume 59.66990 ppm1 2.278 ppm2 4.265 >>ASSI { 5482} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 5482 weight 0.1000E+01 volume 63.52150 ppm1 2.048 ppm2 4.272 >>ASSI { 5492} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 5492 weight 0.1000E+01 volume 7.13010 ppm1 4.127 ppm2 3.450 >>ASSI { 5502} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 5502 weight 0.1000E+01 volume 8.89790 ppm1 3.696 ppm2 4.132 >>ASSI { 5512} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 5512 weight 0.1000E+01 volume 6.34110 ppm1 3.448 ppm2 4.132 >>ASSI { 5522} >> (( segid "PROT" and resid 38 and name HG1 )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 5522 weight 0.1000E+01 volume 57.75800 ppm1 1.971 ppm2 4.138 >>ASSI { 5532} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 5532 weight 0.1000E+01 volume 44.00370 ppm1 0.613 ppm2 4.125 >>ASSI { 5542} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 5542 weight 0.1000E+01 volume 14.70810 ppm1 3.517 ppm2 2.269 >>ASSI { 5552} >> (( segid "PROT" and resid 115 and name HD2 )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 5552 weight 0.1000E+01 volume 10.44890 ppm1 3.515 ppm2 1.852 >>ASSI { 5562} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 5562 weight 0.1000E+01 volume 120.53190 ppm1 4.273 ppm2 2.281 >>ASSI { 5572} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 5572 weight 0.1000E+01 volume 16.72010 ppm1 3.764 ppm2 2.279 >>ASSI { 5582} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 5582 weight 0.1000E+01 volume 14.86660 ppm1 3.453 ppm2 2.149 >>ASSI { 5592} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HB2 )) >> 6 6 0 peak 5592 weight 0.1000E+01 volume 47.60220 ppm1 3.691 ppm2 2.141 >>ASSI { 5602} >> (( segid "PROT" and resid 50 and name HE1 )) >> (( segid "PROT" and resid 56 and name HB2 )) >> 6 6 0 peak 5602 weight 0.1000E+01 volume 19.27350 ppm1 7.403 ppm2 2.137 >>ASSI { 5612} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 56 and name HB2 )) >> 6 6 0 peak 5612 weight 0.1000E+01 volume 2.66410 ppm1 6.150 ppm2 2.131 >>ASSI { 5622} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 5622 weight 0.1000E+01 volume 32.91330 ppm1 4.132 ppm2 2.139 >>ASSI { 5632} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 5632 weight 0.1000E+01 volume 15.36040 ppm1 6.149 ppm2 2.442 >>ASSI { 5642} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 5642 weight 0.1000E+01 volume 9.02350 ppm1 0.612 ppm2 2.436 >>ASSI { 5652} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 5652 weight 0.1000E+01 volume 78.92920 ppm1 3.444 ppm2 3.695 >>ASSI { 5662} >> (( segid "PROT" and resid 56 and name HB2 )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 5662 weight 0.1000E+01 volume 66.01550 ppm1 2.142 ppm2 4.131 >>ASSI { 5672} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 5672 weight 0.1000E+01 volume 81.53870 ppm1 3.697 ppm2 1.976 >>ASSI { 5682} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 5682 weight 0.1000E+01 volume 21.95490 ppm1 3.442 ppm2 2.131 >>ASSI { 5692} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 5692 weight 0.1000E+01 volume 113.72460 ppm1 2.044 ppm2 2.279 >>ASSI { 5702} >> (( segid "PROT" and resid 115 and name HB1 )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5702 weight 0.1000E+01 volume 60.91840 ppm1 2.272 ppm2 3.757 >>ASSI { 5712} >> (( segid "PROT" and resid 115 and name HB1 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 5712 weight 0.1000E+01 volume 23.03740 ppm1 2.275 ppm2 3.510 >>ASSI { 5722} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 5722 weight 0.1000E+01 volume 443.03311 ppm1 4.125 ppm2 2.229 >>ASSI { 5732} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 112 and name HA )) >> 6 6 0 peak 5732 weight 0.1000E+01 volume 12.05290 ppm1 3.767 ppm2 4.122 >>ASSI { 5742} >> (( segid "PROT" and resid 111 and name HG2 )) >> (( segid "PROT" and resid 111 and name HA )) >> 6 6 0 peak 5742 weight 0.1000E+01 volume 97.61870 ppm1 2.438 ppm2 4.107 >>ASSI { 5752} >> (( segid "PROT" and resid 111 and name HB1 )) >> (( segid "PROT" and resid 111 and name HA )) >> 6 6 0 peak 5752 weight 0.1000E+01 volume 117.32290 ppm1 2.280 ppm2 4.119 >>ASSI { 5762} >> (( segid "PROT" and resid 111 and name HB2 )) >> (( segid "PROT" and resid 111 and name HA )) >> 6 6 0 peak 5762 weight 0.1000E+01 volume 192.16200 ppm1 2.179 ppm2 4.103 >>ASSI { 5772} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 112 and name HA )) >> 6 6 0 peak 5772 weight 0.1000E+01 volume 172.79041 ppm1 2.027 ppm2 4.114 >>ASSI { 5782} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 5782 weight 0.1000E+01 volume 142.10870 ppm1 0.895 ppm2 4.104 >>ASSI { 5792} >> (( segid "PROT" and resid 112 and name HA )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 5792 weight 0.1000E+01 volume 44.03420 ppm1 4.124 ppm2 2.495 >>ASSI { 5802} >> (( segid "PROT" and resid 24 and name HB# )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 5802 weight 0.1000E+01 volume 25.39870 ppm1 1.415 ppm2 2.481 >>ASSI { 5812} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 5812 weight 0.1000E+01 volume 18.91930 ppm1 0.870 ppm2 2.480 >>ASSI { 5822} >> (( segid "PROT" and resid 107 and name HG1 )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 5822 weight 0.1000E+01 volume 317.32840 ppm1 2.503 ppm2 2.237 >>ASSI { 5832} >> (( segid "PROT" and resid 87 and name HA )) >> (( segid "PROT" and resid 87 and name HB1 )) >> 6 6 0 peak 5832 weight 0.1000E+01 volume 21.22330 ppm1 4.455 ppm2 3.076 >>ASSI { 5842} >> (( segid "PROT" and resid 87 and name HA )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 5842 weight 0.1000E+01 volume 29.99460 ppm1 4.457 ppm2 2.756 >>ASSI { 5852} >> (( segid "PROT" and resid 86 and name HB1 )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 5852 weight 0.1000E+01 volume 74.81410 ppm1 3.112 ppm2 2.881 >>ASSI { 5862} >> (( segid "PROT" and resid 86 and name HB1 )) >> (( segid "PROT" and resid 86 and name HA )) >> 6 6 0 peak 5862 weight 0.1000E+01 volume 6.95340 ppm1 3.124 ppm2 4.810 >>ASSI { 5872} >> (( segid "PROT" and resid 89 and name HE3 )) >> (( segid "PROT" and resid 86 and name HA )) >> 6 6 0 peak 5872 weight 0.1000E+01 volume 8.01920 ppm1 7.612 ppm2 4.792 >>ASSI { 5882} >> (( segid "PROT" and resid 86 and name HA )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 5882 weight 0.1000E+01 volume 13.08460 ppm1 4.807 ppm2 3.123 >>ASSI { 5892} >> (( segid "PROT" and resid 86 and name HA )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 5892 weight 0.1000E+01 volume 14.75270 ppm1 4.808 ppm2 2.889 >>ASSI { 5902} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 5902 weight 0.1000E+01 volume 4.18360 ppm1 4.232 ppm2 2.884 >>ASSI { 5912} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 5912 weight 0.1000E+01 volume 8.70560 ppm1 4.233 ppm2 3.123 >>ASSI { 5922} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 5922 weight 0.1000E+01 volume 6.74740 ppm1 1.104 ppm2 3.117 >>ASSI { 5932} >> (( segid "PROT" and resid 87 and name HB1 )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 5932 weight 0.1000E+01 volume 17.64080 ppm1 3.088 ppm2 2.750 >>ASSI { 5942} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 5942 weight 0.1000E+01 volume 4.81320 ppm1 0.446 ppm2 2.750 >>ASSI { 5952} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 5952 weight 0.1000E+01 volume 87.41720 ppm1 0.504 ppm2 4.191 >>ASSI { 5962} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 5962 weight 0.1000E+01 volume 42.51860 ppm1 5.084 ppm2 3.780 >>ASSI { 5972} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 5972 weight 0.1000E+01 volume 34.97970 ppm1 1.575 ppm2 3.782 >>ASSI { 5982} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 5982 weight 0.1000E+01 volume 6.06200 ppm1 -0.355 ppm2 3.783 >>ASSI { 5992} >> (( segid "PROT" and resid 10 and name HA )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 5992 weight 0.1000E+01 volume 24.61030 ppm1 4.678 ppm2 3.913 >>ASSI { 6002} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 6002 weight 0.1000E+01 volume 6.82160 ppm1 3.901 ppm2 4.228 >>ASSI { 6012} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 6012 weight 0.1000E+01 volume 6.48250 ppm1 4.432 ppm2 3.337 >>ASSI { 6022} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 6022 weight 0.1000E+01 volume 6.39000 ppm1 4.423 ppm2 3.613 >>ASSI { 6032} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 79 and name HB1 )) >> 6 6 0 peak 6032 weight 0.1000E+01 volume 59.72170 ppm1 4.552 ppm2 2.844 >>ASSI { 6042} >> (( segid "PROT" and resid 80 and name HB2 )) >> (( segid "PROT" and resid 80 and name HB1 )) >> 6 6 0 peak 6042 weight 0.1000E+01 volume 23.24870 ppm1 2.491 ppm2 2.790 >>ASSI { 6052} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 79 and name HB2 )) >> 6 6 0 peak 6052 weight 0.1000E+01 volume 47.13520 ppm1 4.550 ppm2 2.703 >>ASSI { 6062} >> (( segid "PROT" and resid 67 and name HA )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 6062 weight 0.1000E+01 volume 74.80790 ppm1 4.353 ppm2 2.586 >>ASSI { 6072} >> (( segid "PROT" and resid 67 and name HA )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 6072 weight 0.1000E+01 volume 39.61320 ppm1 4.356 ppm2 2.842 >>ASSI { 6082} >> (( segid "PROT" and resid 67 and name HB1 )) >> (( segid "PROT" and resid 67 and name HA )) >> 6 6 0 peak 6082 weight 0.1000E+01 volume 37.33840 ppm1 2.845 ppm2 4.345 >>ASSI { 6092} >> (( segid "PROT" and resid 67 and name HB2 )) >> (( segid "PROT" and resid 67 and name HA )) >> 6 6 0 peak 6092 weight 0.1000E+01 volume 80.37990 ppm1 2.598 ppm2 4.352 >>ASSI { 6102} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 67 and name HA )) >> 6 6 0 peak 6102 weight 0.1000E+01 volume 48.44370 ppm1 3.281 ppm2 4.350 >>ASSI { 6112} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 6112 weight 0.1000E+01 volume 35.09890 ppm1 0.739 ppm2 4.347 >>ASSI { 6122} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 6122 weight 0.1000E+01 volume 25.06080 ppm1 4.167 ppm2 2.588 >>ASSI { 6132} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6132 weight 0.1000E+01 volume 45.91850 ppm1 1.990 ppm2 5.069 >>ASSI { 6142} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 29 and name HB2 )) >> 6 6 0 peak 6142 weight 0.1000E+01 volume 4.03250 ppm1 5.037 ppm2 2.252 >>ASSI { 6152} >> (( segid "PROT" and resid 57 and name HB1 )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6152 weight 0.1000E+01 volume 32.23280 ppm1 2.169 ppm2 5.064 >>ASSI { 6162} >> (( segid "PROT" and resid 61 and name HB )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6162 weight 0.1000E+01 volume 3.67820 ppm1 4.233 ppm2 5.058 >>ASSI { 6172} >> (( segid "PROT" and resid 57 and name HG1 )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6172 weight 0.1000E+01 volume 5.01050 ppm1 3.010 ppm2 5.067 >>ASSI { 6182} >> (( segid "PROT" and resid 57 and name HB2 )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6182 weight 0.1000E+01 volume 21.20200 ppm1 1.245 ppm2 5.070 >>ASSI { 6192} >> (( segid "PROT" and resid 61 and name HG2# )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 6192 weight 0.1000E+01 volume 8.65120 ppm1 1.136 ppm2 5.061 >>ASSI { 6202} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 29 and name HB1 )) >> 6 6 0 peak 6202 weight 0.1000E+01 volume 2.19150 ppm1 5.035 ppm2 2.787 >>ASSI { 6212} >> (( segid "PROT" and resid 97 and name HA )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 6212 weight 0.1000E+01 volume 90.55210 ppm1 3.649 ppm2 1.610 >>ASSI { 6222} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6222 weight 0.1000E+01 volume 12.26960 ppm1 4.551 ppm2 1.985 >>ASSI { 6232} >> (( segid "PROT" and resid 61 and name HB )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6232 weight 0.1000E+01 volume 8.29350 ppm1 4.225 ppm2 1.985 >>ASSI { 6242} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6242 weight 0.1000E+01 volume 105.13470 ppm1 5.058 ppm2 1.988 >>ASSI { 6252} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6252 weight 0.1000E+01 volume 128.44360 ppm1 1.137 ppm2 1.985 >>ASSI { 6262} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6262 weight 0.1000E+01 volume 117.62990 ppm1 0.885 ppm2 1.988 >>ASSI { 6272} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 6272 weight 0.1000E+01 volume 6.75420 ppm1 0.341 ppm2 1.988 >>ASSI { 6282} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6282 weight 0.1000E+01 volume 6.33930 ppm1 7.479 ppm2 1.469 >>ASSI { 6292} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6292 weight 0.1000E+01 volume 18.13580 ppm1 4.310 ppm2 1.470 >>ASSI { 6302} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6302 weight 0.1000E+01 volume 10.94660 ppm1 4.202 ppm2 1.468 >>ASSI { 6312} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6312 weight 0.1000E+01 volume 14.75430 ppm1 2.604 ppm2 1.470 >>ASSI { 6322} >> (( segid "PROT" and resid 117 and name HG2 )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6322 weight 0.1000E+01 volume 12.49270 ppm1 2.507 ppm2 1.470 >>ASSI { 6332} >> (( segid "PROT" and resid 117 and name HB1 )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6332 weight 0.1000E+01 volume 20.62230 ppm1 2.206 ppm2 1.472 >>ASSI { 6342} >> (( segid "PROT" and resid 117 and name HB2 )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6342 weight 0.1000E+01 volume 34.40160 ppm1 1.974 ppm2 1.471 >>ASSI { 6352} >> (( segid "PROT" and resid 120 and name HG )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6352 weight 0.1000E+01 volume 65.04310 ppm1 1.784 ppm2 1.471 >>ASSI { 6362} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6362 weight 0.1000E+01 volume 17.71240 ppm1 1.113 ppm2 1.472 >>ASSI { 6382} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6382 weight 0.1000E+01 volume 3.13480 ppm1 0.609 ppm2 1.471 >>ASSI { 6392} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6392 weight 0.1000E+01 volume 8.53810 ppm1 0.888 ppm2 1.471 >>ASSI { 6402} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 6402 weight 0.1000E+01 volume 3.83860 ppm1 0.504 ppm2 1.472 >>ASSI { 6412} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6412 weight 0.1000E+01 volume 35.98480 ppm1 1.094 ppm2 2.016 >>ASSI { 6422} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6422 weight 0.1000E+01 volume 34.86220 ppm1 3.285 ppm2 2.014 >>ASSI { 6432} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6432 weight 0.1000E+01 volume 40.86030 ppm1 2.801 ppm2 2.013 >>ASSI { 6442} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6442 weight 0.1000E+01 volume 29.25700 ppm1 1.188 ppm2 2.014 >>ASSI { 6452} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6452 weight 0.1000E+01 volume 29.06300 ppm1 0.837 ppm2 2.014 >>ASSI { 6462} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 6462 weight 0.1000E+01 volume 69.16730 ppm1 0.739 ppm2 2.015 >>ASSI { 6472} >> (( segid "PROT" and resid 72 and name HG1 )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 6472 weight 0.1000E+01 volume 55.01170 ppm1 2.409 ppm2 4.297 >>ASSI { 6482} >> (( segid "PROT" and resid 22 and name HB1 )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 6482 weight 0.1000E+01 volume 147.22411 ppm1 2.246 ppm2 4.292 >>ASSI { 6492} >> (( segid "PROT" and resid 72 and name HA )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 6492 weight 0.1000E+01 volume 129.28030 ppm1 4.288 ppm2 2.250 >>ASSI { 6502} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 6502 weight 0.1000E+01 volume 7.85940 ppm1 0.669 ppm2 4.310 >>ASSI { 6512} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 6512 weight 0.1000E+01 volume 15.12860 ppm1 0.353 ppm2 4.296 >>ASSI { 6522} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 6522 weight 0.1000E+01 volume 4.99920 ppm1 0.266 ppm2 4.299 >>ASSI { 6532} >> (( segid "PROT" and resid 72 and name HA )) >> (( segid "PROT" and resid 72 and name HB2 )) >> 6 6 0 peak 6532 weight 0.1000E+01 volume 89.91720 ppm1 4.288 ppm2 2.131 >>ASSI { 6542} >> (( segid "PROT" and resid 72 and name HA )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 6542 weight 0.1000E+01 volume 116.20240 ppm1 4.292 ppm2 2.430 >>ASSI { 6552} >> (( segid "PROT" and resid 5 and name HD1 )) >> (( segid "PROT" and resid 5 and name HB1 )) >> 6 6 0 peak 6552 weight 0.1000E+01 volume 104.24170 ppm1 3.152 ppm2 1.754 >>ASSI { 6562} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 6562 weight 0.1000E+01 volume 90.54950 ppm1 4.269 ppm2 1.855 >>ASSI { 6572} >> (( segid "PROT" and resid 93 and name HB2 )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 6572 weight 0.1000E+01 volume 194.52020 ppm1 1.744 ppm2 4.307 >>ASSI { 6582} >> (( segid "PROT" and resid 93 and name HB1 )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 6582 weight 0.1000E+01 volume 63.86300 ppm1 1.904 ppm2 4.300 >>ASSI { 6592} >> (( segid "PROT" and resid 5 and name HG1 )) >> (( segid "PROT" and resid 5 and name HD1 )) >> 6 6 0 peak 6592 weight 0.1000E+01 volume 151.50529 ppm1 1.603 ppm2 3.148 >>ASSI { 6602} >> (( segid "PROT" and resid 5 and name HA )) >> (( segid "PROT" and resid 5 and name HD1 )) >> 6 6 0 peak 6602 weight 0.1000E+01 volume 53.98700 ppm1 4.324 ppm2 3.151 >>ASSI { 6612} >> (( segid "PROT" and resid 6 and name HA )) >> (( segid "PROT" and resid 6 and name HB1 )) >> 6 6 0 peak 6612 weight 0.1000E+01 volume 265.56351 ppm1 4.273 ppm2 1.756 >>ASSI { 6622} >> (( segid "PROT" and resid 20 and name HG1 )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 6622 weight 0.1000E+01 volume 2.74950 ppm1 2.127 ppm2 4.189 >>ASSI { 6632} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 6632 weight 0.1000E+01 volume 3.07760 ppm1 3.334 ppm2 4.170 >>ASSI { 6642} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 6642 weight 0.1000E+01 volume 106.74150 ppm1 0.776 ppm2 1.335 >>ASSI { 6652} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 6652 weight 0.1000E+01 volume 3.19860 ppm1 3.240 ppm2 1.510 >>ASSI { 6662} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 6662 weight 0.1000E+01 volume 10.15870 ppm1 0.354 ppm2 4.230 >>ASSI { 6672} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 6672 weight 0.1000E+01 volume 2.44110 ppm1 0.266 ppm2 4.223 >>ASSI { 6682} >> (( segid "PROT" and resid 11 and name HB1 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 6682 weight 0.1000E+01 volume 82.21030 ppm1 2.434 ppm2 4.226 >>ASSI { 6692} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 6692 weight 0.1000E+01 volume 35.85090 ppm1 3.765 ppm2 1.851 >>ASSI { 6702} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 6702 weight 0.1000E+01 volume 7.06490 ppm1 4.116 ppm2 3.649 >>ASSI { 6712} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6712 weight 0.1000E+01 volume 18.92280 ppm1 0.354 ppm2 3.775 >>ASSI { 6722} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6722 weight 0.1000E+01 volume 34.20910 ppm1 0.241 ppm2 3.777 >>ASSI { 6732} >> (( segid "PROT" and resid 74 and name HB1 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6732 weight 0.1000E+01 volume 149.56020 ppm1 1.784 ppm2 3.776 >>ASSI { 6742} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6742 weight 0.1000E+01 volume 5.93870 ppm1 0.505 ppm2 3.772 >>ASSI { 6752} >> (( segid "PROT" and resid 62 and name HG12 )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 6752 weight 0.1000E+01 volume 12.32750 ppm1 0.889 ppm2 3.912 >>ASSI { 6762} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6762 weight 0.1000E+01 volume 14.91060 ppm1 1.407 ppm2 3.775 >>ASSI { 6772} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 6772 weight 0.1000E+01 volume 3.58100 ppm1 6.723 ppm2 3.777 >>ASSI { 6782} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 6782 weight 0.1000E+01 volume 4.78040 ppm1 -0.358 ppm2 3.629 >>ASSI { 6792} >> (( segid "PROT" and resid 49 and name HB2 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 6792 weight 0.1000E+01 volume 9.79200 ppm1 1.978 ppm2 3.580 >>ASSI { 6802} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 6802 weight 0.1000E+01 volume 17.25900 ppm1 3.999 ppm2 0.445 >>ASSI { 6812} >> (( segid "PROT" and resid 52 and name HG11 )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 6812 weight 0.1000E+01 volume 25.55410 ppm1 1.560 ppm2 3.986 >>ASSI { 6822} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 6822 weight 0.1000E+01 volume 23.40610 ppm1 0.729 ppm2 3.411 >>ASSI { 6832} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 6832 weight 0.1000E+01 volume 19.64230 ppm1 0.560 ppm2 3.410 >>ASSI { 6842} >> (( segid "PROT" and resid 70 and name HB2 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 6842 weight 0.1000E+01 volume 31.22740 ppm1 1.090 ppm2 3.412 >>ASSI { 6852} >> (( segid "PROT" and resid 65 and name HD2 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 6852 weight 0.1000E+01 volume 4.32820 ppm1 1.344 ppm2 3.412 >>ASSI { 6862} >> (( segid "PROT" and resid 70 and name HG1 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 6862 weight 0.1000E+01 volume 13.50320 ppm1 2.262 ppm2 3.416 >>ASSI { 6872} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 6872 weight 0.1000E+01 volume 40.23530 ppm1 0.738 ppm2 3.670 >>ASSI { 6882} >> (( segid "PROT" and resid 15 and name HG1 )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 6882 weight 0.1000E+01 volume 20.04540 ppm1 1.548 ppm2 3.661 >>ASSI { 6892} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 6892 weight 0.1000E+01 volume 16.14350 ppm1 3.286 ppm2 3.664 >>ASSI { 6902} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 6902 weight 0.1000E+01 volume 5.70780 ppm1 4.356 ppm2 3.676 >>ASSI { 6912} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 6912 weight 0.1000E+01 volume 12.78950 ppm1 0.394 ppm2 4.364 >>ASSI { 6922} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 6922 weight 0.1000E+01 volume 6.93220 ppm1 0.233 ppm2 4.361 >>ASSI { 6932} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 6932 weight 0.1000E+01 volume 11.47910 ppm1 0.565 ppm2 4.360 >>ASSI { 6942} >> (( segid "PROT" and resid 100 and name HG2 )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 6942 weight 0.1000E+01 volume 24.98670 ppm1 1.607 ppm2 4.313 >>ASSI { 6952} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 6952 weight 0.1000E+01 volume 47.40060 ppm1 2.032 ppm2 4.318 >>ASSI { 6962} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 6962 weight 0.1000E+01 volume 17.29670 ppm1 0.235 ppm2 3.944 >>ASSI { 6972} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 6972 weight 0.1000E+01 volume 4.29050 ppm1 0.586 ppm2 3.953 >>ASSI { 6982} >> (( segid "PROT" and resid 36 and name HG2 )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 6982 weight 0.1000E+01 volume 59.06830 ppm1 1.335 ppm2 3.947 >>ASSI { 6992} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 6992 weight 0.1000E+01 volume 4.38380 ppm1 1.515 ppm2 3.244 >>ASSI { 7002} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 7002 weight 0.1000E+01 volume 1.52330 ppm1 1.639 ppm2 3.236 >>ASSI { 7012} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 7012 weight 0.1000E+01 volume 32.55350 ppm1 0.836 ppm2 3.668 >>ASSI { 7022} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 7022 weight 0.1000E+01 volume 3.13970 ppm1 0.240 ppm2 3.660 >>ASSI { 7032} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 7032 weight 0.1000E+01 volume 38.60640 ppm1 1.187 ppm2 3.694 >>ASSI { 7042} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 7042 weight 0.1000E+01 volume 41.82830 ppm1 1.089 ppm2 3.694 >>ASSI { 7052} >> (( segid "PROT" and resid 15 and name HA )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 7052 weight 0.1000E+01 volume 17.18740 ppm1 3.665 ppm2 3.280 >>ASSI { 7062} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7062 weight 0.1000E+01 volume 206.05701 ppm1 0.582 ppm2 0.228 >>ASSI { 7072} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 7072 weight 0.1000E+01 volume 155.27290 ppm1 0.235 ppm2 0.582 >>ASSI { 7082} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 7082 weight 0.1000E+01 volume 20.13860 ppm1 6.609 ppm2 0.578 >>ASSI { 7092} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7092 weight 0.1000E+01 volume 55.90550 ppm1 1.098 ppm2 0.232 >>ASSI { 7102} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7102 weight 0.1000E+01 volume 15.69320 ppm1 3.940 ppm2 0.225 >>ASSI { 7112} >> (( segid "PROT" and resid 32 and name HA )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7112 weight 0.1000E+01 volume 40.20330 ppm1 4.375 ppm2 0.232 >>ASSI { 7122} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7122 weight 0.1000E+01 volume 29.33880 ppm1 6.609 ppm2 0.234 >>ASSI { 7132} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7132 weight 0.1000E+01 volume 23.06250 ppm1 6.951 ppm2 0.232 >>ASSI { 7142} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 7142 weight 0.1000E+01 volume 7.23360 ppm1 3.943 ppm2 1.724 >>ASSI { 7152} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 7152 weight 0.1000E+01 volume 60.58010 ppm1 0.589 ppm2 1.725 >>ASSI { 7162} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 7162 weight 0.1000E+01 volume 82.29150 ppm1 3.698 ppm2 1.089 >>ASSI { 7172} >> (( segid "PROT" and resid 66 and name HB2 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 7172 weight 0.1000E+01 volume 29.25340 ppm1 1.749 ppm2 3.678 >>ASSI { 7182} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7182 weight 0.1000E+01 volume 63.22130 ppm1 -1.494 ppm2 1.219 >>ASSI { 7192} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7192 weight 0.1000E+01 volume 14.29340 ppm1 -0.255 ppm2 1.221 >>ASSI { 7202} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7202 weight 0.1000E+01 volume 11.68390 ppm1 0.235 ppm2 1.219 >>ASSI { 7212} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7212 weight 0.1000E+01 volume 12.82850 ppm1 0.351 ppm2 1.223 >>ASSI { 7222} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7222 weight 0.1000E+01 volume 30.73530 ppm1 0.574 ppm2 1.221 >>ASSI { 7232} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7232 weight 0.1000E+01 volume 12.34490 ppm1 0.670 ppm2 1.219 >>ASSI { 7242} >> (( segid "PROT" and resid 84 and name HA )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7242 weight 0.1000E+01 volume 15.26080 ppm1 3.649 ppm2 1.224 >>ASSI { 7252} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7252 weight 0.1000E+01 volume 34.61690 ppm1 6.049 ppm2 1.217 >>ASSI { 7262} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 7262 weight 0.1000E+01 volume 113.18530 ppm1 6.914 ppm2 0.994 >>ASSI { 7272} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 7272 weight 0.1000E+01 volume 10.25750 ppm1 7.371 ppm2 1.212 >>ASSI { 7282} >> (( segid "PROT" and resid 67 and name HA )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 7282 weight 0.1000E+01 volume 72.79710 ppm1 4.357 ppm2 3.278 >>ASSI { 7292} >> (( segid "PROT" and resid 111 and name HG1 )) >> (( segid "PROT" and resid 111 and name HA )) >> 6 6 0 peak 7292 weight 0.1000E+01 volume 38.56110 ppm1 2.519 ppm2 4.103 >>ASSI { 7302} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 7302 weight 0.1000E+01 volume 23.31490 ppm1 0.567 ppm2 4.102 >>ASSI { 7312} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 7312 weight 0.1000E+01 volume 13.57400 ppm1 0.674 ppm2 4.104 >>ASSI { 7322} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 7322 weight 0.1000E+01 volume 13.08680 ppm1 4.230 ppm2 1.308 >>ASSI { 7332} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 7332 weight 0.1000E+01 volume 19.70730 ppm1 0.316 ppm2 4.188 >>ASSI { 7342} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 7342 weight 0.1000E+01 volume 14.27450 ppm1 0.235 ppm2 4.186 >>ASSI { 7352} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 7352 weight 0.1000E+01 volume 2.14820 ppm1 0.268 ppm2 4.615 >>ASSI { 7362} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 7362 weight 0.1000E+01 volume 27.78140 ppm1 3.334 ppm2 3.618 >>ASSI { 7382} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 7382 weight 0.1000E+01 volume 19.06980 ppm1 3.732 ppm2 -0.371 >>ASSI { 7392} >> (( segid "PROT" and resid 17 and name HA )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 7392 weight 0.1000E+01 volume 2.40460 ppm1 4.186 ppm2 3.332 >>ASSI { 7402} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 7402 weight 0.1000E+01 volume 44.85800 ppm1 3.611 ppm2 3.334 >>ASSI { 7412} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7412 weight 0.1000E+01 volume 8.44730 ppm1 7.718 ppm2 2.823 >>ASSI { 7422} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 7422 weight 0.1000E+01 volume 39.47780 ppm1 7.722 ppm2 2.515 >>ASSI { 7432} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 7432 weight 0.1000E+01 volume 13.89610 ppm1 7.480 ppm2 2.515 >>ASSI { 7442} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7442 weight 0.1000E+01 volume 20.29230 ppm1 7.476 ppm2 2.822 >>ASSI { 7452} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7452 weight 0.1000E+01 volume 18.38770 ppm1 4.003 ppm2 2.817 >>ASSI { 7462} >> (( segid "PROT" and resid 110 and name HA )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 7462 weight 0.1000E+01 volume 62.83170 ppm1 4.001 ppm2 2.513 >>ASSI { 7472} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 7472 weight 0.1000E+01 volume 253.06950 ppm1 2.819 ppm2 2.522 >>ASSI { 7482} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7482 weight 0.1000E+01 volume 159.04289 ppm1 2.522 ppm2 2.820 >>ASSI { 7492} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7492 weight 0.1000E+01 volume 41.01720 ppm1 2.373 ppm2 2.820 >>ASSI { 7502} >> (( segid "PROT" and resid 110 and name HB2 )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7502 weight 0.1000E+01 volume 66.13920 ppm1 2.162 ppm2 2.822 >>ASSI { 7512} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 7512 weight 0.1000E+01 volume 20.81930 ppm1 0.721 ppm2 2.523 >>ASSI { 7522} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7522 weight 0.1000E+01 volume 10.25810 ppm1 0.720 ppm2 2.817 >>ASSI { 7532} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 7532 weight 0.1000E+01 volume 68.32680 ppm1 2.212 ppm2 4.411 >>ASSI { 7542} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 7542 weight 0.1000E+01 volume 10.70920 ppm1 1.084 ppm2 4.409 >>ASSI { 7552} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 7552 weight 0.1000E+01 volume 17.02430 ppm1 0.717 ppm2 4.548 >>ASSI { 7562} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 7562 weight 0.1000E+01 volume 65.80720 ppm1 4.426 ppm2 2.215 >>ASSI { 7572} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 19 and name HG1 )) >> 6 6 0 peak 7572 weight 0.1000E+01 volume 18.64750 ppm1 4.422 ppm2 2.660 >>ASSI { 7582} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 7582 weight 0.1000E+01 volume 6.80480 ppm1 6.607 ppm2 3.963 >>ASSI { 7592} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 7592 weight 0.1000E+01 volume 20.34570 ppm1 0.885 ppm2 4.552 >>ASSI { 7602} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 7602 weight 0.1000E+01 volume 8.21410 ppm1 1.106 ppm2 4.558 >>ASSI { 7612} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 7612 weight 0.1000E+01 volume 71.79300 ppm1 1.106 ppm2 4.237 >>ASSI { 7622} >> (( segid "PROT" and resid 86 and name HB1 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 7622 weight 0.1000E+01 volume 15.42830 ppm1 3.121 ppm2 4.232 >>ASSI { 7632} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 85 and name HA )) >> 6 6 0 peak 7632 weight 0.1000E+01 volume 38.86450 ppm1 6.056 ppm2 4.179 >>ASSI { 7642} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 7642 weight 0.1000E+01 volume 10.29530 ppm1 7.095 ppm2 3.292 >>ASSI { 7652} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 7652 weight 0.1000E+01 volume 12.01920 ppm1 3.061 ppm2 3.424 >>ASSI { 7662} >> (( segid "PROT" and resid 90 and name HD2# )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 7662 weight 0.1000E+01 volume 102.93980 ppm1 0.986 ppm2 1.826 >>ASSI { 7672} >> (( segid "PROT" and resid 65 and name HD2 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 7672 weight 0.1000E+01 volume 42.35620 ppm1 1.346 ppm2 2.371 >>ASSI { 7682} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 7682 weight 0.1000E+01 volume 12.43030 ppm1 0.354 ppm2 2.860 >>ASSI { 7692} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 7692 weight 0.1000E+01 volume 11.29940 ppm1 0.268 ppm2 2.857 >>ASSI { 7702} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 7702 weight 0.1000E+01 volume 66.68630 ppm1 0.268 ppm2 1.312 >>ASSI { 7712} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 80 and name HB1 )) >> 6 6 0 peak 7712 weight 0.1000E+01 volume 2.80540 ppm1 0.350 ppm2 2.790 >>ASSI { 7722} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 80 and name HB2 )) >> 6 6 0 peak 7722 weight 0.1000E+01 volume 3.64700 ppm1 0.348 ppm2 2.504 >>ASSI { 7732} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 7732 weight 0.1000E+01 volume 7.87190 ppm1 7.046 ppm2 3.346 >>ASSI { 7742} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 7742 weight 0.1000E+01 volume 16.33290 ppm1 4.025 ppm2 3.346 >>ASSI { 7752} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 7752 weight 0.1000E+01 volume 4.02490 ppm1 0.232 ppm2 2.629 >>ASSI { 7762} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 7762 weight 0.1000E+01 volume 9.40150 ppm1 0.897 ppm2 3.066 >>ASSI { 7772} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 7772 weight 0.1000E+01 volume 6.43740 ppm1 0.896 ppm2 3.339 >>ASSI { 7782} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 7782 weight 0.1000E+01 volume 13.97380 ppm1 6.054 ppm2 3.059 >>ASSI { 7792} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 35 and name HB1 )) >> 6 6 0 peak 7792 weight 0.1000E+01 volume 5.27410 ppm1 7.375 ppm2 3.846 >>ASSI { 7802} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 7802 weight 0.1000E+01 volume 5.27780 ppm1 4.034 ppm2 3.050 >>ASSI { 7812} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 35 and name HB1 )) >> 6 6 0 peak 7812 weight 0.1000E+01 volume 1.45930 ppm1 0.231 ppm2 3.846 >>ASSI { 7822} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 7822 weight 0.1000E+01 volume 5.11750 ppm1 7.052 ppm2 3.065 >>ASSI { 7832} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 7832 weight 0.1000E+01 volume 26.67930 ppm1 3.839 ppm2 1.598 >>ASSI { 7842} >> (( segid "PROT" and resid 33 and name HA )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 7842 weight 0.1000E+01 volume 28.33770 ppm1 3.914 ppm2 1.598 >>ASSI { 7852} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 7852 weight 0.1000E+01 volume 5.74540 ppm1 6.743 ppm2 1.778 >>ASSI { 7862} >> (( segid "PROT" and resid 77 and name HA )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 7862 weight 0.1000E+01 volume 23.56720 ppm1 3.387 ppm2 1.776 >>ASSI { 7872} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 7872 weight 0.1000E+01 volume 16.61380 ppm1 0.233 ppm2 1.783 >>ASSI { 7882} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 7882 weight 0.1000E+01 volume 37.29020 ppm1 1.772 ppm2 2.635 >>ASSI { 7892} >> (( segid "PROT" and resid 77 and name HA )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 7892 weight 0.1000E+01 volume 27.99290 ppm1 3.384 ppm2 2.640 >>ASSI { 7902} >> (( segid "PROT" and resid 7 and name HG2 )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 7902 weight 0.1000E+01 volume 61.12390 ppm1 0.964 ppm2 1.603 >>ASSI { 7912} >> (( segid "PROT" and resid 7 and name HG1 )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 7912 weight 0.1000E+01 volume 74.43580 ppm1 1.097 ppm2 1.602 >>ASSI { 7922} >> (( segid "PROT" and resid 7 and name HA )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 7922 weight 0.1000E+01 volume 246.83611 ppm1 4.238 ppm2 1.609 >>ASSI { 7932} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 7932 weight 0.1000E+01 volume 28.31920 ppm1 7.392 ppm2 1.604 >>ASSI { 7942} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 7942 weight 0.1000E+01 volume 9.32510 ppm1 0.568 ppm2 2.800 >>ASSI { 7952} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 7952 weight 0.1000E+01 volume 3.66990 ppm1 0.956 ppm2 2.800 >>ASSI { 7962} >> (( segid "PROT" and resid 28 and name HA )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 7962 weight 0.1000E+01 volume 5.42670 ppm1 4.113 ppm2 2.794 >>ASSI { 7972} >> (( segid "PROT" and resid 118 and name HA )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 7972 weight 0.1000E+01 volume 176.77390 ppm1 4.112 ppm2 2.417 >>ASSI { 7982} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 7982 weight 0.1000E+01 volume 6.57230 ppm1 4.977 ppm2 1.024 >>ASSI { 7992} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 7992 weight 0.1000E+01 volume 22.32890 ppm1 0.347 ppm2 1.892 >>ASSI { 8002} >> (( segid "PROT" and resid 90 and name HD2# )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 8002 weight 0.1000E+01 volume 181.41299 ppm1 0.983 ppm2 1.413 >>ASSI { 8012} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 8012 weight 0.1000E+01 volume 23.46040 ppm1 1.203 ppm2 0.232 >>ASSI { 8022} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 8022 weight 0.1000E+01 volume 23.41340 ppm1 -1.491 ppm2 0.898 >>ASSI { 8032} >> (( segid "PROT" and resid 25 and name HG )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 8032 weight 0.1000E+01 volume 88.09440 ppm1 2.383 ppm2 0.894 >>ASSI { 8042} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 8042 weight 0.1000E+01 volume 131.46170 ppm1 4.104 ppm2 0.896 >>ASSI { 8052} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 8052 weight 0.1000E+01 volume 68.92910 ppm1 7.044 ppm2 0.888 >>ASSI { 8062} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 8062 weight 0.1000E+01 volume 32.98010 ppm1 2.218 ppm2 0.831 >>ASSI { 8072} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 8072 weight 0.1000E+01 volume 32.69140 ppm1 0.740 ppm2 0.231 >>ASSI { 8082} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 8082 weight 0.1000E+01 volume 47.22320 ppm1 0.837 ppm2 0.231 >>ASSI { 8092} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 8092 weight 0.1000E+01 volume 10.63390 ppm1 -1.491 ppm2 1.262 >>ASSI { 8102} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 8102 weight 0.1000E+01 volume 29.06940 ppm1 4.092 ppm2 0.775 >>ASSI { 8112} >> (( segid "PROT" and resid 87 and name HA )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 8112 weight 0.1000E+01 volume 36.29260 ppm1 4.456 ppm2 0.444 >>ASSI { 8122} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 8122 weight 0.1000E+01 volume 119.20950 ppm1 -0.260 ppm2 -1.498 >>ASSI { 8132} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 8132 weight 0.1000E+01 volume 206.84270 ppm1 -1.495 ppm2 -0.261 >>ASSI { 8142} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 8142 weight 0.1000E+01 volume 112.00890 ppm1 0.871 ppm2 1.412 >>ASSI { 8152} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 8152 weight 0.1000E+01 volume 72.21630 ppm1 2.479 ppm2 0.342 >>ASSI { 8162} >> (( segid "PROT" and resid 117 and name HG2 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8162 weight 0.1000E+01 volume 11.51490 ppm1 2.509 ppm2 0.890 >>ASSI { 8172} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8172 weight 0.1000E+01 volume 29.87400 ppm1 2.068 ppm2 0.888 >>ASSI { 8182} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8182 weight 0.1000E+01 volume 142.12590 ppm1 1.300 ppm2 0.887 >>ASSI { 8192} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8192 weight 0.1000E+01 volume 165.98660 ppm1 0.718 ppm2 0.889 >>ASSI { 8202} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8202 weight 0.1000E+01 volume 12.85800 ppm1 0.235 ppm2 0.888 >>ASSI { 8212} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8212 weight 0.1000E+01 volume 54.47260 ppm1 6.613 ppm2 0.890 >>ASSI { 8222} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8222 weight 0.1000E+01 volume 12.41300 ppm1 6.734 ppm2 0.890 >>ASSI { 8232} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8232 weight 0.1000E+01 volume 22.88290 ppm1 6.852 ppm2 0.887 >>ASSI { 8242} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8242 weight 0.1000E+01 volume 7.82260 ppm1 7.055 ppm2 0.889 >>ASSI { 8252} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 8252 weight 0.1000E+01 volume 28.94980 ppm1 7.190 ppm2 0.888 >>ASSI { 8262} >> (( segid "PROT" and resid 46 and name HB )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 8262 weight 0.1000E+01 volume 9.49780 ppm1 2.266 ppm2 0.749 >>ASSI { 8272} >> (( segid "PROT" and resid 46 and name HA )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 8272 weight 0.1000E+01 volume 19.65360 ppm1 4.880 ppm2 0.750 >>ASSI { 8282} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 8282 weight 0.1000E+01 volume 9.97770 ppm1 6.707 ppm2 0.734 >>ASSI { 8292} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 8292 weight 0.1000E+01 volume 63.07410 ppm1 1.219 ppm2 0.772 >>ASSI { 8302} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 8302 weight 0.1000E+01 volume 10.68170 ppm1 0.394 ppm2 1.105 >>ASSI { 8312} >> (( segid "PROT" and resid 29 and name HB2 )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 8312 weight 0.1000E+01 volume 5.64760 ppm1 2.256 ppm2 5.037 >>ASSI { 8322} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 8322 weight 0.1000E+01 volume 26.70900 ppm1 2.111 ppm2 5.039 >>ASSI { 8332} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 8332 weight 0.1000E+01 volume 8.14900 ppm1 0.967 ppm2 5.043 >>ASSI { 8342} >> (( segid "PROT" and resid 33 and name HG )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 8342 weight 0.1000E+01 volume 6.89820 ppm1 1.683 ppm2 5.045 >>ASSI { 8352} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 8352 weight 0.1000E+01 volume 7.13880 ppm1 6.975 ppm2 4.014 >>ASSI { 8362} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 8362 weight 0.1000E+01 volume 22.14250 ppm1 2.834 ppm2 4.012 >>ASSI { 8372} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 8372 weight 0.1000E+01 volume 44.53830 ppm1 2.897 ppm2 4.016 >>ASSI { 8382} >> (( segid "PROT" and resid 89 and name HZ2 )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 8382 weight 0.1000E+01 volume 25.79350 ppm1 6.962 ppm2 4.453 >>ASSI { 8392} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 8392 weight 0.1000E+01 volume 3.26160 ppm1 4.232 ppm2 3.923 >>ASSI { 8402} >> (( segid "PROT" and resid 11 and name HB1 )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 8402 weight 0.1000E+01 volume 9.13100 ppm1 2.440 ppm2 3.941 >>ASSI { 8412} >> (( segid "PROT" and resid 11 and name HG1 )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 8412 weight 0.1000E+01 volume 36.59800 ppm1 2.289 ppm2 3.936 >>ASSI { 8422} >> (( segid "PROT" and resid 11 and name HG2 )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 8422 weight 0.1000E+01 volume 31.42280 ppm1 2.191 ppm2 3.936 >>ASSI { 8432} >> (( segid "PROT" and resid 10 and name HB2 )) >> (( segid "PROT" and resid 11 and name HD2 )) >> 6 6 0 peak 8432 weight 0.1000E+01 volume 10.02950 ppm1 1.663 ppm2 3.930 >>ASSI { 8442} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 8442 weight 0.1000E+01 volume 15.09080 ppm1 3.985 ppm2 4.680 >>ASSI { 8452} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 8452 weight 0.1000E+01 volume 19.70060 ppm1 0.239 ppm2 1.352 >>ASSI { 8462} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8462 weight 0.1000E+01 volume 11.98860 ppm1 7.098 ppm2 4.498 >>ASSI { 8472} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8472 weight 0.1000E+01 volume 6.72440 ppm1 7.327 ppm2 4.505 >>ASSI { 8482} >> (( segid "PROT" and resid 101 and name HB1 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8482 weight 0.1000E+01 volume 1.52300 ppm1 3.915 ppm2 4.498 >>ASSI { 8492} >> (( segid "PROT" and resid 104 and name HB2 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8492 weight 0.1000E+01 volume 2.42640 ppm1 2.008 ppm2 4.500 >>ASSI { 8502} >> (( segid "PROT" and resid 31 and name HG1 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8502 weight 0.1000E+01 volume 1.73960 ppm1 2.298 ppm2 4.512 >>ASSI { 8512} >> (( segid "PROT" and resid 31 and name HB1 )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 8512 weight 0.1000E+01 volume 2.51460 ppm1 1.587 ppm2 4.507 >>ASSI { 8522} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 8522 weight 0.1000E+01 volume 1.35000 ppm1 0.236 ppm2 2.900 >>ASSI { 8532} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 8532 weight 0.1000E+01 volume 10.86410 ppm1 6.709 ppm2 3.585 >>ASSI { 8542} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 8542 weight 0.1000E+01 volume 1.13110 ppm1 6.148 ppm2 3.585 >>ASSI { 8552} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 8552 weight 0.1000E+01 volume 0.92530 ppm1 5.447 ppm2 3.577 >>ASSI { 8562} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 8562 weight 0.1000E+01 volume 1.06430 ppm1 1.829 ppm2 3.576 >>ASSI { 8572} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 8572 weight 0.1000E+01 volume 1.30380 ppm1 1.003 ppm2 3.568 >>ASSI { 8582} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 8582 weight 0.1000E+01 volume 1.13800 ppm1 5.423 ppm2 1.969 >>ASSI { 8592} >> (( segid "PROT" and resid 49 and name HA )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 8592 weight 0.1000E+01 volume 3.12780 ppm1 3.591 ppm2 1.979 >>ASSI { 8602} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 8602 weight 0.1000E+01 volume 18.21600 ppm1 1.777 ppm2 3.381 >>ASSI { 8612} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 8612 weight 0.1000E+01 volume 2.40300 ppm1 6.619 ppm2 3.383 >>ASSI { 8622} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 71 and name HB1 )) >> 6 6 0 peak 8622 weight 0.1000E+01 volume 3.45550 ppm1 6.868 ppm2 2.693 >>ASSI { 8632} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 8632 weight 0.1000E+01 volume 1.04970 ppm1 6.640 ppm2 1.780 >>ASSI { 8642} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 8642 weight 0.1000E+01 volume 3.44820 ppm1 6.932 ppm2 2.962 >>ASSI { 8652} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 8652 weight 0.1000E+01 volume 3.37150 ppm1 6.934 ppm2 2.901 >>ASSI { 8662} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 8662 weight 0.1000E+01 volume 3.36910 ppm1 4.010 ppm2 2.910 >>ASSI { 8672} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 8672 weight 0.1000E+01 volume 3.67120 ppm1 4.008 ppm2 2.977 >>ASSI { 8682} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 8682 weight 0.1000E+01 volume 2.47070 ppm1 0.446 ppm2 2.911 >>ASSI { 8692} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 8692 weight 0.1000E+01 volume 2.97440 ppm1 0.445 ppm2 2.970 >>ASSI { 8702} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 8702 weight 0.1000E+01 volume 2.23900 ppm1 0.993 ppm2 2.967 >>ASSI { 8712} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 8712 weight 0.1000E+01 volume 2.57370 ppm1 0.994 ppm2 2.915 >>ASSI { 8722} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 8722 weight 0.1000E+01 volume 3.88660 ppm1 6.707 ppm2 4.006 >>ASSI { 8732} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 8732 weight 0.1000E+01 volume 4.04440 ppm1 3.056 ppm2 4.021 >>ASSI { 8742} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 8742 weight 0.1000E+01 volume 15.23610 ppm1 7.038 ppm2 4.028 >>ASSI { 8752} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 8752 weight 0.1000E+01 volume 5.53550 ppm1 6.063 ppm2 3.338 >>ASSI { 8762} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 8762 weight 0.1000E+01 volume 4.99460 ppm1 3.344 ppm2 3.065 >>ASSI { 8772} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 8772 weight 0.1000E+01 volume 0.98400 ppm1 3.420 ppm2 3.063 >>ASSI { 8782} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 8782 weight 0.1000E+01 volume 2.06380 ppm1 3.425 ppm2 3.349 >>ASSI { 8792} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 8792 weight 0.1000E+01 volume 2.40750 ppm1 3.053 ppm2 3.342 >>ASSI { 8802} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 8802 weight 0.1000E+01 volume 7.52430 ppm1 3.344 ppm2 4.023 >>ASSI { 8812} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 8812 weight 0.1000E+01 volume 1.62140 ppm1 7.090 ppm2 3.922 >>ASSI { 8822} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 8822 weight 0.1000E+01 volume 2.79050 ppm1 7.099 ppm2 3.673 >>ASSI { 8832} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 8832 weight 0.1000E+01 volume 2.50990 ppm1 7.353 ppm2 3.659 >>ASSI { 8842} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 8842 weight 0.1000E+01 volume 1.59510 ppm1 7.342 ppm2 3.910 >>ASSI { 8852} >> (( segid "PROT" and resid 101 and name HB1 )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 8852 weight 0.1000E+01 volume 2.41940 ppm1 3.921 ppm2 3.669 >>ASSI { 8862} >> (( segid "PROT" and resid 101 and name HB2 )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 8862 weight 0.1000E+01 volume 1.50700 ppm1 3.667 ppm2 3.916 >>ASSI { 8872} >> (( segid "PROT" and resid 98 and name HA )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 8872 weight 0.1000E+01 volume 1.58310 ppm1 3.289 ppm2 3.672 >>ASSI { 8882} >> (( segid "PROT" and resid 98 and name HA )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 8882 weight 0.1000E+01 volume 0.95860 ppm1 3.283 ppm2 3.919 >>ASSI { 8892} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 8892 weight 0.1000E+01 volume 3.71520 ppm1 7.125 ppm2 3.409 >>ASSI { 8902} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 8902 weight 0.1000E+01 volume 23.84520 ppm1 3.099 ppm2 3.303 >>ASSI { 8912} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 8912 weight 0.1000E+01 volume 23.64630 ppm1 3.295 ppm2 3.099 >>ASSI { 8922} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 8922 weight 0.1000E+01 volume 1.43860 ppm1 4.555 ppm2 3.295 >>ASSI { 8932} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 8932 weight 0.1000E+01 volume 2.09880 ppm1 4.552 ppm2 3.111 >>ASSI { 8942} >> (( segid "PROT" and resid 82 and name HB1 )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 8942 weight 0.1000E+01 volume 2.17290 ppm1 3.295 ppm2 4.540 >>ASSI { 8952} >> (( segid "PROT" and resid 82 and name HB2 )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 8952 weight 0.1000E+01 volume 0.71310 ppm1 3.108 ppm2 4.550 >>ASSI { 8962} >> (( segid "PROT" and resid 79 and name HB1 )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 8962 weight 0.1000E+01 volume 10.29950 ppm1 2.855 ppm2 4.560 >>ASSI { 8972} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 8972 weight 0.1000E+01 volume 1.42910 ppm1 7.475 ppm2 4.536 >>ASSI { 8982} >> (( segid "PROT" and resid 103 and name HB2 )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 8982 weight 0.1000E+01 volume 4.24080 ppm1 4.107 ppm2 4.445 >>ASSI { 8992} >> (( segid "PROT" and resid 103 and name HB1 )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 8992 weight 0.1000E+01 volume 4.49460 ppm1 4.259 ppm2 4.447 >>ASSI { 9002} >> (( segid "PROT" and resid 106 and name HB# )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 9002 weight 0.1000E+01 volume 5.12920 ppm1 0.928 ppm2 4.455 >>ASSI { 9012} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 9012 weight 0.1000E+01 volume 0.91340 ppm1 7.129 ppm2 4.332 >>ASSI { 9022} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 9022 weight 0.1000E+01 volume 2.35620 ppm1 7.133 ppm2 2.600 >>ASSI { 9032} >> (( segid "PROT" and resid 99 and name HB1 )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 9032 weight 0.1000E+01 volume 9.14350 ppm1 3.405 ppm2 2.607 >>ASSI { 9042} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 9042 weight 0.1000E+01 volume 1.69660 ppm1 3.776 ppm2 2.598 >>ASSI { 9052} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 9052 weight 0.1000E+01 volume 2.64600 ppm1 3.783 ppm2 3.411 >>ASSI { 9062} >> (( segid "PROT" and resid 99 and name HB2 )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 9062 weight 0.1000E+01 volume 5.39780 ppm1 2.604 ppm2 3.407 >>ASSI { 9072} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 85 and name HB1 )) >> 6 6 0 peak 9072 weight 0.1000E+01 volume 5.13290 ppm1 6.052 ppm2 2.495 >>ASSI { 9082} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 9082 weight 0.1000E+01 volume 5.35040 ppm1 6.048 ppm2 1.450 >>ASSI { 9092} >> (( segid "PROT" and resid 85 and name HA )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 9092 weight 0.1000E+01 volume 2.87950 ppm1 4.170 ppm2 1.465 >>ASSI { 9102} >> (( segid "PROT" and resid 82 and name HA )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 9102 weight 0.1000E+01 volume 1.27720 ppm1 3.979 ppm2 1.455 >>ASSI { 9112} >> (( segid "PROT" and resid 85 and name HB2 )) >> (( segid "PROT" and resid 85 and name HB1 )) >> 6 6 0 peak 9112 weight 0.1000E+01 volume 3.37650 ppm1 1.459 ppm2 2.481 >>ASSI { 9122} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 9122 weight 0.1000E+01 volume 4.33890 ppm1 2.491 ppm2 1.455 >>ASSI { 9132} >> (( segid "PROT" and resid 85 and name HD1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 9132 weight 0.1000E+01 volume 4.48960 ppm1 6.053 ppm2 1.743 >>ASSI { 9142} >> (( segid "PROT" and resid 50 and name HB2 )) >> (( segid "PROT" and resid 50 and name HB1 )) >> 6 6 0 peak 9142 weight 0.1000E+01 volume 13.62740 ppm1 2.946 ppm2 3.470 >>ASSI { 9152} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 9152 weight 0.1000E+01 volume 0.63670 ppm1 7.374 ppm2 2.626 >>ASSI { 9162} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 9162 weight 0.1000E+01 volume 3.69570 ppm1 3.845 ppm2 2.624 >>ASSI { 9172} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 35 and name HA )) >> 6 6 0 peak 9172 weight 0.1000E+01 volume 1.16500 ppm1 3.840 ppm2 4.752 >>ASSI { 9182} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 35 and name HA )) >> 6 6 0 peak 9182 weight 0.1000E+01 volume 1.56940 ppm1 7.364 ppm2 4.752 >>ASSI { 9192} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 9192 weight 0.1000E+01 volume 2.64110 ppm1 1.986 ppm2 4.220 >>ASSI { 9202} >> (( segid "PROT" and resid 61 and name HB )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 9202 weight 0.1000E+01 volume 8.61410 ppm1 4.226 ppm2 3.878 >>ASSI { 9212} >> (( segid "PROT" and resid 61 and name HG2# )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 9212 weight 0.1000E+01 volume 15.56760 ppm1 1.139 ppm2 3.879 >>ASSI { 9222} >> (( segid "PROT" and resid 94 and name HG2 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 9222 weight 0.1000E+01 volume 10.25530 ppm1 1.057 ppm2 2.175 >>ASSI { 9232} >> (( segid "PROT" and resid 94 and name HG1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 9232 weight 0.1000E+01 volume 6.88100 ppm1 1.168 ppm2 2.180 >>ASSI { 9242} >> (( segid "PROT" and resid 94 and name HB2 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 9242 weight 0.1000E+01 volume 8.15140 ppm1 1.371 ppm2 2.181 >>ASSI { 9252} >> (( segid "PROT" and resid 94 and name HB1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 9252 weight 0.1000E+01 volume 3.42100 ppm1 1.431 ppm2 2.181 >>ASSI { 9262} >> (( segid "PROT" and resid 96 and name HB2 )) >> (( segid "PROT" and resid 96 and name HA )) >> 6 6 0 peak 9262 weight 0.1000E+01 volume 6.74240 ppm1 3.998 ppm2 4.422 >>ASSI { 9282} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 9282 weight 0.1000E+01 volume 2.74460 ppm1 0.743 ppm2 4.877 >>ASSI { 9292} >> (( segid "PROT" and resid 47 and name HG1 )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 9292 weight 0.1000E+01 volume 0.79000 ppm1 1.932 ppm2 4.871 >>ASSI { 9302} >> (( segid "PROT" and resid 46 and name HB )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 9302 weight 0.1000E+01 volume 2.01360 ppm1 2.267 ppm2 4.865 >>ASSI { 9312} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 9312 weight 0.1000E+01 volume 3.50470 ppm1 3.277 ppm2 4.871 >>ASSI { 9322} >> (( segid "PROT" and resid 47 and name HD1 )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 9322 weight 0.1000E+01 volume 2.84250 ppm1 3.730 ppm2 4.871 >>ASSI { 9332} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 9332 weight 0.1000E+01 volume 3.97090 ppm1 0.749 ppm2 2.261 >>ASSI { 9342} >> (( segid "PROT" and resid 46 and name HG11 )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 9342 weight 0.1000E+01 volume 1.99360 ppm1 1.490 ppm2 2.303 >>ASSI { 9352} >> (( segid "PROT" and resid 46 and name HA )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 9352 weight 0.1000E+01 volume 2.91250 ppm1 4.876 ppm2 2.263 >>ASSI { 9362} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 9362 weight 0.1000E+01 volume 1.67740 ppm1 3.635 ppm2 1.604 >>ASSI { 9372} >> (( segid "PROT" and resid 52 and name HG11 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9372 weight 0.1000E+01 volume 34.11280 ppm1 1.560 ppm2 0.882 >>ASSI { 9382} >> (( segid "PROT" and resid 51 and name HB1 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9382 weight 0.1000E+01 volume 10.69160 ppm1 2.939 ppm2 0.886 >>ASSI { 9392} >> (( segid "PROT" and resid 49 and name HA )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9392 weight 0.1000E+01 volume 5.02970 ppm1 3.583 ppm2 0.881 >>ASSI { 9402} >> (( segid "PROT" and resid 48 and name HA )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9402 weight 0.1000E+01 volume 2.14330 ppm1 4.600 ppm2 0.883 >>ASSI { 9412} >> (( segid "PROT" and resid 52 and name HG11 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 9412 weight 0.1000E+01 volume 29.14780 ppm1 1.560 ppm2 0.997 >>ASSI { 9422} >> (( segid "PROT" and resid 52 and name HG12 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 9422 weight 0.1000E+01 volume 36.94800 ppm1 1.410 ppm2 0.998 >>ASSI { 9432} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 9432 weight 0.1000E+01 volume 6.22250 ppm1 2.969 ppm2 0.999 >>ASSI { 9442} >> (( segid "PROT" and resid 91 and name HB2 )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 9442 weight 0.1000E+01 volume 4.31090 ppm1 2.908 ppm2 0.997 >>ASSI { 9452} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 9452 weight 0.1000E+01 volume 9.14670 ppm1 1.830 ppm2 3.988 >>ASSI { 9462} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 9462 weight 0.1000E+01 volume 1.35700 ppm1 6.941 ppm2 1.823 >>ASSI { 9472} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 9472 weight 0.1000E+01 volume 2.97500 ppm1 6.705 ppm2 1.566 >>ASSI { 9482} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 9482 weight 0.1000E+01 volume 1.63770 ppm1 6.710 ppm2 1.399 >>ASSI { 9492} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 9492 weight 0.1000E+01 volume 3.63200 ppm1 6.909 ppm2 1.391 >>ASSI { 9502} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 9502 weight 0.1000E+01 volume 0.41020 ppm1 6.898 ppm2 1.562 >>ASSI { 9512} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 9512 weight 0.1000E+01 volume 16.46810 ppm1 0.882 ppm2 1.402 >>ASSI { 9522} >> (( segid "PROT" and resid 52 and name HG2# )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 9522 weight 0.1000E+01 volume 19.47360 ppm1 0.987 ppm2 1.399 >>ASSI { 9532} >> (( segid "PROT" and resid 52 and name HA )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 9532 weight 0.1000E+01 volume 7.48160 ppm1 3.993 ppm2 1.562 >>ASSI { 9542} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9542 weight 0.1000E+01 volume 6.43120 ppm1 0.439 ppm2 0.884 >>ASSI { 9552} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 9552 weight 0.1000E+01 volume 1.69230 ppm1 0.580 ppm2 0.886 >>ASSI { 9572} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 9572 weight 0.1000E+01 volume 9.06840 ppm1 3.837 ppm2 0.342 >>ASSI { 9582} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 9582 weight 0.1000E+01 volume 9.98300 ppm1 1.979 ppm2 0.346 >>ASSI { 9602} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 9602 weight 0.1000E+01 volume 4.02240 ppm1 6.615 ppm2 0.342 >>ASSI { 9612} >> (( segid "PROT" and resid 62 and name HG12 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9612 weight 0.1000E+01 volume 14.90700 ppm1 0.887 ppm2 1.162 >>ASSI { 9622} >> (( segid "PROT" and resid 62 and name HB )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9622 weight 0.1000E+01 volume 19.42690 ppm1 1.693 ppm2 1.157 >>ASSI { 9632} >> (( segid "PROT" and resid 62 and name HG11 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9632 weight 0.1000E+01 volume 11.07200 ppm1 1.898 ppm2 1.161 >>ASSI { 9642} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9642 weight 0.1000E+01 volume 3.21380 ppm1 3.842 ppm2 1.162 >>ASSI { 9652} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9652 weight 0.1000E+01 volume 1.92160 ppm1 3.693 ppm2 1.171 >>ASSI { 9662} >> (( segid "PROT" and resid 77 and name HA )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 9662 weight 0.1000E+01 volume 2.82700 ppm1 3.384 ppm2 1.165 >>ASSI { 9672} >> (( segid "PROT" and resid 65 and name HD2 )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 9672 weight 0.1000E+01 volume 0.58420 ppm1 1.340 ppm2 3.915 >>ASSI { 9682} >> (( segid "PROT" and resid 62 and name HG11 )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 9682 weight 0.1000E+01 volume 3.96000 ppm1 1.903 ppm2 3.919 >>ASSI { 9692} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 9692 weight 0.1000E+01 volume 2.29990 ppm1 3.937 ppm2 1.554 >>ASSI { 9702} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 9702 weight 0.1000E+01 volume 4.25050 ppm1 3.844 ppm2 1.555 >>ASSI { 9712} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9712 weight 0.1000E+01 volume 3.04540 ppm1 6.616 ppm2 0.717 >>ASSI { 9722} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9722 weight 0.1000E+01 volume 4.15310 ppm1 6.852 ppm2 0.720 >>ASSI { 9732} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9732 weight 0.1000E+01 volume 3.28030 ppm1 7.039 ppm2 0.721 >>ASSI { 9742} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9742 weight 0.1000E+01 volume 8.53600 ppm1 7.187 ppm2 0.720 >>ASSI { 9752} >> (( segid "PROT" and resid 110 and name HA )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9752 weight 0.1000E+01 volume 22.55020 ppm1 4.001 ppm2 0.717 >>ASSI { 9762} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9762 weight 0.1000E+01 volume 11.49350 ppm1 4.092 ppm2 0.717 >>ASSI { 9772} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9772 weight 0.1000E+01 volume 12.72910 ppm1 4.551 ppm2 0.718 >>ASSI { 9782} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9782 weight 0.1000E+01 volume 11.36100 ppm1 2.832 ppm2 0.718 >>ASSI { 9792} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9792 weight 0.1000E+01 volume 20.05540 ppm1 2.514 ppm2 0.720 >>ASSI { 9802} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9802 weight 0.1000E+01 volume 5.82840 ppm1 2.371 ppm2 0.717 >>ASSI { 9812} >> (( segid "PROT" and resid 110 and name HB2 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9812 weight 0.1000E+01 volume 5.75470 ppm1 2.166 ppm2 0.716 >>ASSI { 9822} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9822 weight 0.1000E+01 volume 20.65690 ppm1 1.220 ppm2 0.715 >>ASSI { 9832} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9832 weight 0.1000E+01 volume 17.44980 ppm1 1.116 ppm2 0.717 >>ASSI { 9842} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 9842 weight 0.1000E+01 volume 34.06450 ppm1 0.889 ppm2 0.718 >>ASSI { 9852} >> (( segid "PROT" and resid 21 and name HB )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 9852 weight 0.1000E+01 volume 13.79630 ppm1 4.188 ppm2 0.889 >>ASSI { 9862} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 9862 weight 0.1000E+01 volume 68.06600 ppm1 1.213 ppm2 0.887 >>ASSI { 9872} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 9872 weight 0.1000E+01 volume 31.28540 ppm1 1.113 ppm2 0.884 >>ASSI { 9882} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 9882 weight 0.1000E+01 volume 21.28610 ppm1 1.040 ppm2 0.887 >>ASSI { 9892} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 9892 weight 0.1000E+01 volume 12.88370 ppm1 0.505 ppm2 0.890 >>ASSI { 9902} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 9902 weight 0.1000E+01 volume 7.45470 ppm1 0.889 ppm2 0.715 >>ASSI { 9912} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 9912 weight 0.1000E+01 volume 1.64900 ppm1 1.117 ppm2 0.715 >>ASSI { 9922} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 9922 weight 0.1000E+01 volume 1.41750 ppm1 1.296 ppm2 0.713 >>ASSI { 9932} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 9932 weight 0.1000E+01 volume 8.18300 ppm1 1.214 ppm2 0.713 >>ASSI { 9942} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 9942 weight 0.1000E+01 volume 1.24680 ppm1 4.091 ppm2 1.223 >>ASSI { 9952} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 9952 weight 0.1000E+01 volume 22.74670 ppm1 0.718 ppm2 1.213 >>ASSI { 9962} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 9962 weight 0.1000E+01 volume 12.28120 ppm1 0.884 ppm2 1.215 >>ASSI { 9982} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 9982 weight 0.1000E+01 volume 10.04870 ppm1 3.616 ppm2 -0.369 >>ASSI { 9992} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 9992 weight 0.1000E+01 volume 6.26380 ppm1 7.383 ppm2 0.749 >>ASSI { 10012} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 10012 weight 0.1000E+01 volume 17.93330 ppm1 -0.365 ppm2 1.469 >>ASSI { 10022} >> (( segid "PROT" and resid 39 and name HA )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 10022 weight 0.1000E+01 volume 2.39220 ppm1 3.208 ppm2 1.461 >>ASSI { 10032} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10032 weight 0.1000E+01 volume 1.73400 ppm1 5.251 ppm2 0.603 >>ASSI { 10042} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10042 weight 0.1000E+01 volume 10.26060 ppm1 4.131 ppm2 0.605 >>ASSI { 10052} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10052 weight 0.1000E+01 volume 8.32190 ppm1 3.453 ppm2 0.613 >>ASSI { 10062} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10062 weight 0.1000E+01 volume 2.71890 ppm1 3.691 ppm2 0.609 >>ASSI { 10072} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10072 weight 0.1000E+01 volume 6.53450 ppm1 2.443 ppm2 0.608 >>ASSI { 10082} >> (( segid "PROT" and resid 56 and name HB2 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10082 weight 0.1000E+01 volume 12.44520 ppm1 2.142 ppm2 0.606 >>ASSI { 10092} >> (( segid "PROT" and resid 54 and name HB1 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10092 weight 0.1000E+01 volume 0.39520 ppm1 1.833 ppm2 0.606 >>ASSI { 10102} >> (( segid "PROT" and resid 56 and name HG2 )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 10102 weight 0.1000E+01 volume 6.04350 ppm1 1.983 ppm2 0.607 >>ASSI { 10112} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 10112 weight 0.1000E+01 volume 18.44380 ppm1 1.825 ppm2 0.449 >>ASSI { 10122} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 10122 weight 0.1000E+01 volume 24.04020 ppm1 2.979 ppm2 0.440 >>ASSI { 10132} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 10132 weight 0.1000E+01 volume 12.05280 ppm1 0.773 ppm2 1.301 >>ASSI { 10142} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 10142 weight 0.1000E+01 volume 28.07030 ppm1 1.034 ppm2 1.308 >>ASSI { 10152} >> (( segid "PROT" and resid 79 and name HA )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 10152 weight 0.1000E+01 volume 3.70730 ppm1 4.555 ppm2 1.262 >>ASSI { 10162} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 10162 weight 0.1000E+01 volume 6.00320 ppm1 6.614 ppm2 1.277 >>ASSI { 10172} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10172 weight 0.1000E+01 volume 3.57530 ppm1 -0.255 ppm2 1.107 >>ASSI { 10182} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10182 weight 0.1000E+01 volume 3.17770 ppm1 0.508 ppm2 1.114 >>ASSI { 10192} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10192 weight 0.1000E+01 volume 9.58320 ppm1 0.719 ppm2 1.114 >>ASSI { 10202} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10202 weight 0.1000E+01 volume 25.13510 ppm1 0.882 ppm2 1.115 >>ASSI { 10212} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10212 weight 0.1000E+01 volume 42.75390 ppm1 1.261 ppm2 1.112 >>ASSI { 10222} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10222 weight 0.1000E+01 volume 6.13330 ppm1 1.780 ppm2 1.114 >>ASSI { 10232} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10232 weight 0.1000E+01 volume 6.02030 ppm1 2.617 ppm2 1.114 >>ASSI { 10242} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10242 weight 0.1000E+01 volume 10.95030 ppm1 4.202 ppm2 1.107 >>ASSI { 10252} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10252 weight 0.1000E+01 volume 20.90240 ppm1 6.617 ppm2 1.110 >>ASSI { 10262} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 10262 weight 0.1000E+01 volume 5.80260 ppm1 7.480 ppm2 1.114 >>ASSI { 10272} >> (( segid "PROT" and resid 38 and name HB2 )) >> (( segid "PROT" and resid 38 and name HB1 )) >> 6 6 0 peak 10272 weight 0.1000E+01 volume 23.38120 ppm1 1.646 ppm2 2.264 >>ASSI { 10282} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 10282 weight 0.1000E+01 volume 1.88460 ppm1 3.338 ppm2 -1.498 >>ASSI { 10292} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 10292 weight 0.1000E+01 volume 1.75480 ppm1 2.205 ppm2 -1.498 >>ASSI { 10302} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 10302 weight 0.1000E+01 volume 9.56740 ppm1 1.098 ppm2 -1.495 >>ASSI { 10312} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 10312 weight 0.1000E+01 volume 5.72650 ppm1 1.199 ppm2 -1.498 >>ASSI { 10322} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 10322 weight 0.1000E+01 volume 3.71570 ppm1 1.182 ppm2 0.875 >>ASSI { 10332} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 10332 weight 0.1000E+01 volume 3.66030 ppm1 1.259 ppm2 0.869 >>ASSI { 10342} >> (( segid "PROT" and resid 62 and name HG11 )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 10342 weight 0.1000E+01 volume 4.14260 ppm1 1.895 ppm2 0.894 >>ASSI { 10352} >> (( segid "PROT" and resid 62 and name HA )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 10352 weight 0.1000E+01 volume 1.92470 ppm1 3.911 ppm2 0.897 >>ASSI { 10362} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 10362 weight 0.1000E+01 volume 4.86960 ppm1 1.152 ppm2 1.883 >>ASSI { 10372} >> (( segid "PROT" and resid 62 and name HA )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 10372 weight 0.1000E+01 volume 17.34920 ppm1 3.939 ppm2 1.877 >>ASSI { 10382} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 10382 weight 0.1000E+01 volume 15.34400 ppm1 6.611 ppm2 1.090 >>ASSI { 10392} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 10392 weight 0.1000E+01 volume 1.82440 ppm1 6.958 ppm2 1.090 >>ASSI { 10402} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 10402 weight 0.1000E+01 volume 10.15350 ppm1 3.636 ppm2 0.896 >>ASSI { 10412} >> (( segid "PROT" and resid 101 and name HB2 )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 10412 weight 0.1000E+01 volume 5.47290 ppm1 3.671 ppm2 3.292 >>ASSI { 10422} >> (( segid "PROT" and resid 101 and name HB1 )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 10422 weight 0.1000E+01 volume 2.11970 ppm1 3.936 ppm2 3.292 >>ASSI { 10432} >> (( segid "PROT" and resid 98 and name HG2# )) >> (( segid "PROT" and resid 98 and name HB )) >> 6 6 0 peak 10432 weight 0.1000E+01 volume 4.35800 ppm1 0.610 ppm2 1.658 >>ASSI { 10442} >> (( segid "PROT" and resid 98 and name HG1# )) >> (( segid "PROT" and resid 98 and name HB )) >> 6 6 0 peak 10442 weight 0.1000E+01 volume 1.41610 ppm1 0.806 ppm2 1.657 >>ASSI { 10452} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 10452 weight 0.1000E+01 volume 29.35300 ppm1 6.058 ppm2 0.897 >>ASSI { 10462} >> (( segid "PROT" and resid 24 and name HA )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10462 weight 0.1000E+01 volume 3.63680 ppm1 3.948 ppm2 0.871 >>ASSI { 10472} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10472 weight 0.1000E+01 volume 3.66170 ppm1 4.035 ppm2 0.867 >>ASSI { 10482} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10482 weight 0.1000E+01 volume 5.81380 ppm1 4.110 ppm2 0.864 >>ASSI { 10492} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10492 weight 0.1000E+01 volume 13.21090 ppm1 2.024 ppm2 0.867 >>ASSI { 10502} >> (( segid "PROT" and resid 24 and name HB# )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10502 weight 0.1000E+01 volume 22.02210 ppm1 1.409 ppm2 0.872 >>ASSI { 10512} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10512 weight 0.1000E+01 volume 23.12900 ppm1 2.822 ppm2 0.958 >>ASSI { 10522} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 10522 weight 0.1000E+01 volume 3.69220 ppm1 2.820 ppm2 0.867 >>ASSI { 10532} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 10 and name HB1 )) >> 6 6 0 peak 10532 weight 0.1000E+01 volume 4.69010 ppm1 3.910 ppm2 2.157 >>ASSI { 10542} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 10 and name HB1 )) >> 6 6 0 peak 10542 weight 0.1000E+01 volume 1.90230 ppm1 4.004 ppm2 2.161 >>ASSI { 10552} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 57 and name HB1 )) >> 6 6 0 peak 10552 weight 0.1000E+01 volume 1.06050 ppm1 5.068 ppm2 2.174 >>ASSI { 10562} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10562 weight 0.1000E+01 volume 1.20810 ppm1 4.240 ppm2 0.963 >>ASSI { 10572} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10572 weight 0.1000E+01 volume 2.11850 ppm1 4.116 ppm2 0.959 >>ASSI { 10582} >> (( segid "PROT" and resid 104 and name HG2 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10582 weight 0.1000E+01 volume 9.08990 ppm1 1.237 ppm2 0.961 >>ASSI { 10592} >> (( segid "PROT" and resid 104 and name HG1 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10592 weight 0.1000E+01 volume 4.76010 ppm1 1.480 ppm2 0.959 >>ASSI { 10602} >> (( segid "PROT" and resid 104 and name HD2 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10602 weight 0.1000E+01 volume 4.99420 ppm1 1.630 ppm2 0.956 >>ASSI { 10612} >> (( segid "PROT" and resid 104 and name HD1 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 10612 weight 0.1000E+01 volume 8.07050 ppm1 1.794 ppm2 0.964 >>ASSI { 10622} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 10622 weight 0.1000E+01 volume 13.04250 ppm1 1.642 ppm2 1.105 >>ASSI { 10632} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 10632 weight 0.1000E+01 volume 44.62240 ppm1 1.300 ppm2 1.033 >>ASSI { 10642} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 10642 weight 0.1000E+01 volume 1.84470 ppm1 7.105 ppm2 2.024 >>ASSI { 10652} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 10652 weight 0.1000E+01 volume 3.78260 ppm1 1.305 ppm2 3.683 >>ASSI { 10662} >> (( segid "PROT" and resid 119 and name HB2 )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 10662 weight 0.1000E+01 volume 3.80610 ppm1 3.982 ppm2 3.678 >>ASSI { 10672} >> (( segid "PROT" and resid 119 and name HB1 )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 10672 weight 0.1000E+01 volume 2.66730 ppm1 4.030 ppm2 3.676 >>ASSI { 10682} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 10682 weight 0.1000E+01 volume 1.52990 ppm1 0.884 ppm2 4.142 >>ASSI { 10692} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 10692 weight 0.1000E+01 volume 8.62850 ppm1 1.735 ppm2 4.068 >>ASSI { 10702} >> (( segid "PROT" and resid 47 and name HB2 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 10702 weight 0.1000E+01 volume 11.92640 ppm1 2.022 ppm2 4.059 >>ASSI { 10712} >> (( segid "PROT" and resid 47 and name HB1 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 10712 weight 0.1000E+01 volume 11.89860 ppm1 2.205 ppm2 4.059 >>ASSI { 10722} >> (( segid "PROT" and resid 47 and name HG1 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 10722 weight 0.1000E+01 volume 9.26090 ppm1 1.927 ppm2 4.064 >>ASSI { 10732} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10732 weight 0.1000E+01 volume 3.74110 ppm1 0.887 ppm2 4.191 >>ASSI { 10742} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10742 weight 0.1000E+01 volume 2.07810 ppm1 0.713 ppm2 4.195 >>ASSI { 10752} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10752 weight 0.1000E+01 volume 2.17590 ppm1 1.759 ppm2 4.192 >>ASSI { 10762} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10762 weight 0.1000E+01 volume 2.92370 ppm1 2.013 ppm2 4.196 >>ASSI { 10772} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10772 weight 0.1000E+01 volume 2.31400 ppm1 7.190 ppm2 4.198 >>ASSI { 10782} >> (( segid "PROT" and resid 109 and name HD1 )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 10782 weight 0.1000E+01 volume 2.17020 ppm1 7.046 ppm2 4.194 >>ASSI { 10792} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 10792 weight 0.1000E+01 volume 16.28000 ppm1 2.020 ppm2 1.298 >>ASSI { 10802} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 10802 weight 0.1000E+01 volume 2.21560 ppm1 4.167 ppm2 1.221 >>ASSI { 10812} >> (( segid "PROT" and resid 67 and name HA )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 10812 weight 0.1000E+01 volume 2.96410 ppm1 4.360 ppm2 1.223 >>ASSI { 10822} >> (( segid "PROT" and resid 64 and name HG1 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 10822 weight 0.1000E+01 volume 11.83420 ppm1 1.673 ppm2 1.225 >>ASSI { 10832} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 10832 weight 0.1000E+01 volume 4.24930 ppm1 1.505 ppm2 1.222 >>ASSI { 10842} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 10842 weight 0.1000E+01 volume 2.33350 ppm1 0.659 ppm2 4.178 >>ASSI { 10852} >> (( segid "PROT" and resid 27 and name HD2 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10852 weight 0.1000E+01 volume 1.41540 ppm1 3.123 ppm2 3.950 >>ASSI { 10862} >> (( segid "PROT" and resid 27 and name HG1 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10862 weight 0.1000E+01 volume 9.04300 ppm1 1.694 ppm2 3.947 >>ASSI { 10872} >> (( segid "PROT" and resid 27 and name HB2 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10872 weight 0.1000E+01 volume 4.69910 ppm1 1.816 ppm2 3.950 >>ASSI { 10882} >> (( segid "PROT" and resid 27 and name HB1 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10882 weight 0.1000E+01 volume 5.82920 ppm1 1.894 ppm2 3.950 >>ASSI { 10892} >> (( segid "PROT" and resid 23 and name HB1 )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10892 weight 0.1000E+01 volume 2.81520 ppm1 2.023 ppm2 3.950 >>ASSI { 10902} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 10902 weight 0.1000E+01 volume 2.66890 ppm1 0.871 ppm2 3.950 >>ASSI { 10912} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 10912 weight 0.1000E+01 volume 9.31400 ppm1 1.757 ppm2 1.409 >>ASSI { 10922} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 10922 weight 0.1000E+01 volume 2.39940 ppm1 3.785 ppm2 1.751 >>ASSI { 10932} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 10932 weight 0.1000E+01 volume 89.45000 ppm1 0.349 ppm2 0.262 >>ASSI { 10942} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 10942 weight 0.1000E+01 volume 40.48810 ppm1 0.512 ppm2 0.231 >>ASSI { 10952} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 10952 weight 0.1000E+01 volume 5.60310 ppm1 7.184 ppm2 0.668 >>ASSI { 10962} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 10962 weight 0.1000E+01 volume 2.56560 ppm1 7.394 ppm2 0.358 >>ASSI { 10972} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 10972 weight 0.1000E+01 volume 3.21120 ppm1 7.333 ppm2 0.358 >>ASSI { 10982} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 10982 weight 0.1000E+01 volume 13.58280 ppm1 4.624 ppm2 0.352 >>ASSI { 10992} >> (( segid "PROT" and resid 72 and name HA )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 10992 weight 0.1000E+01 volume 2.77640 ppm1 4.293 ppm2 0.350 >>ASSI { 11002} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11002 weight 0.1000E+01 volume 3.56230 ppm1 4.231 ppm2 0.352 >>ASSI { 11012} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11012 weight 0.1000E+01 volume 16.18150 ppm1 3.785 ppm2 0.356 >>ASSI { 11022} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11022 weight 0.1000E+01 volume 16.14290 ppm1 2.864 ppm2 0.349 >>ASSI { 11032} >> (( segid "PROT" and resid 74 and name HD2 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11032 weight 0.1000E+01 volume 10.73210 ppm1 2.762 ppm2 0.351 >>ASSI { 11042} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11042 weight 0.1000E+01 volume 3.85110 ppm1 2.197 ppm2 0.346 >>ASSI { 11052} >> (( segid "PROT" and resid 13 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11052 weight 0.1000E+01 volume 5.50780 ppm1 2.434 ppm2 0.353 >>ASSI { 11062} >> (( segid "PROT" and resid 74 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11062 weight 0.1000E+01 volume 10.92710 ppm1 1.786 ppm2 0.353 >>ASSI { 11072} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11072 weight 0.1000E+01 volume 16.43780 ppm1 1.648 ppm2 0.349 >>ASSI { 11092} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11092 weight 0.1000E+01 volume 13.45510 ppm1 1.396 ppm2 0.349 >>ASSI { 11102} >> (( segid "PROT" and resid 14 and name HB2 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11102 weight 0.1000E+01 volume 33.47940 ppm1 1.311 ppm2 0.351 >>ASSI { 11112} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 11112 weight 0.1000E+01 volume 34.41310 ppm1 0.265 ppm2 0.346 >>ASSI { 11122} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 11122 weight 0.1000E+01 volume 2.67380 ppm1 1.555 ppm2 3.795 >>ASSI { 11132} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11132 weight 0.1000E+01 volume 9.02020 ppm1 7.422 ppm2 0.388 >>ASSI { 11142} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11142 weight 0.1000E+01 volume 3.95720 ppm1 0.234 ppm2 0.390 >>ASSI { 11152} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11152 weight 0.1000E+01 volume 14.08140 ppm1 0.896 ppm2 0.391 >>ASSI { 11162} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11162 weight 0.1000E+01 volume 3.71620 ppm1 1.243 ppm2 0.393 >>ASSI { 11172} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11172 weight 0.1000E+01 volume 27.40590 ppm1 1.510 ppm2 0.392 >>ASSI { 11182} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11182 weight 0.1000E+01 volume 29.90590 ppm1 1.645 ppm2 0.391 >>ASSI { 11192} >> (( segid "PROT" and resid 28 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11192 weight 0.1000E+01 volume 3.17970 ppm1 2.137 ppm2 0.391 >>ASSI { 11202} >> (( segid "PROT" and resid 28 and name HB2 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11202 weight 0.1000E+01 volume 4.58660 ppm1 2.055 ppm2 0.391 >>ASSI { 11212} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11212 weight 0.1000E+01 volume 1.85630 ppm1 2.298 ppm2 0.391 >>ASSI { 11222} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11222 weight 0.1000E+01 volume 8.05520 ppm1 3.238 ppm2 0.394 >>ASSI { 11232} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11232 weight 0.1000E+01 volume 12.24890 ppm1 3.637 ppm2 0.390 >>ASSI { 11242} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11242 weight 0.1000E+01 volume 2.07950 ppm1 3.837 ppm2 0.390 >>ASSI { 11252} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11252 weight 0.1000E+01 volume 2.43250 ppm1 4.116 ppm2 0.393 >>ASSI { 11262} >> (( segid "PROT" and resid 32 and name HA )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 11262 weight 0.1000E+01 volume 19.26370 ppm1 4.365 ppm2 0.391 >>ASSI { 11272} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 11272 weight 0.1000E+01 volume 7.55920 ppm1 2.865 ppm2 1.393 >>ASSI { 11282} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 11282 weight 0.1000E+01 volume 15.57200 ppm1 1.657 ppm2 1.402 >>ASSI { 11292} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 11292 weight 0.1000E+01 volume 8.33390 ppm1 0.763 ppm2 4.189 >>ASSI { 11302} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 11302 weight 0.1000E+01 volume 8.63060 ppm1 1.311 ppm2 4.185 >>ASSI { 11312} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 11312 weight 0.1000E+01 volume 7.82080 ppm1 1.559 ppm2 4.191 >>ASSI { 11322} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11322 weight 0.1000E+01 volume 11.04440 ppm1 4.188 ppm2 0.233 >>ASSI { 11332} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11332 weight 0.1000E+01 volume 32.38300 ppm1 1.555 ppm2 0.233 >>ASSI { 11342} >> (( segid "PROT" and resid 77 and name HA )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11342 weight 0.1000E+01 volume 3.05720 ppm1 3.383 ppm2 0.230 >>ASSI { 11352} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11352 weight 0.1000E+01 volume 8.58300 ppm1 6.616 ppm2 0.235 >>ASSI { 11362} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11362 weight 0.1000E+01 volume 7.89060 ppm1 6.725 ppm2 0.232 >>ASSI { 11372} >> (( segid "PROT" and resid 109 and name HZ )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11372 weight 0.1000E+01 volume 2.26060 ppm1 6.833 ppm2 0.232 >>ASSI { 11382} >> (( segid "PROT" and resid 74 and name HA )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11382 weight 0.1000E+01 volume 4.99330 ppm1 3.781 ppm2 0.504 >>ASSI { 11392} >> (( segid "PROT" and resid 77 and name HB2 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11392 weight 0.1000E+01 volume 14.19600 ppm1 1.783 ppm2 0.507 >>ASSI { 11402} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11402 weight 0.1000E+01 volume 14.65980 ppm1 1.554 ppm2 0.505 >>ASSI { 11412} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11412 weight 0.1000E+01 volume 15.34180 ppm1 1.366 ppm2 0.509 >>ASSI { 11422} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11422 weight 0.1000E+01 volume 7.87560 ppm1 1.104 ppm2 0.507 >>ASSI { 11432} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11432 weight 0.1000E+01 volume 22.01330 ppm1 0.886 ppm2 0.507 >>ASSI { 11442} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11442 weight 0.1000E+01 volume 32.40310 ppm1 0.774 ppm2 0.502 >>ASSI { 11452} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 11452 weight 0.1000E+01 volume 3.71450 ppm1 4.191 ppm2 1.375 >>ASSI { 11462} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11462 weight 0.1000E+01 volume 4.68760 ppm1 4.188 ppm2 0.319 >>ASSI { 11472} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11472 weight 0.1000E+01 volume 8.62620 ppm1 1.374 ppm2 0.321 >>ASSI { 11482} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11482 weight 0.1000E+01 volume 3.47400 ppm1 1.554 ppm2 0.321 >>ASSI { 11492} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11492 weight 0.1000E+01 volume 2.05300 ppm1 0.823 ppm2 0.316 >>ASSI { 11502} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11502 weight 0.1000E+01 volume 2.28280 ppm1 0.739 ppm2 0.327 >>ASSI { 11512} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11512 weight 0.1000E+01 volume 5.17460 ppm1 0.503 ppm2 0.325 >>ASSI { 11522} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 18 and name HB2 )) >> 6 6 0 peak 11522 weight 0.1000E+01 volume 3.30770 ppm1 0.232 ppm2 0.327 >>ASSI { 11532} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 11532 weight 0.1000E+01 volume 2.73480 ppm1 0.509 ppm2 1.359 >>ASSI { 11542} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 11542 weight 0.1000E+01 volume 3.12490 ppm1 0.738 ppm2 1.344 >>ASSI { 11552} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 11552 weight 0.1000E+01 volume 0.78740 ppm1 0.833 ppm2 1.352 >>ASSI { 11562} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 11562 weight 0.1000E+01 volume 2.97090 ppm1 1.560 ppm2 1.354 >>ASSI { 11572} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11572 weight 0.1000E+01 volume 34.48490 ppm1 0.236 ppm2 1.552 >>ASSI { 11582} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11582 weight 0.1000E+01 volume 7.11100 ppm1 0.350 ppm2 1.551 >>ASSI { 11592} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11592 weight 0.1000E+01 volume 7.95320 ppm1 0.506 ppm2 1.551 >>ASSI { 11602} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11602 weight 0.1000E+01 volume 10.77000 ppm1 1.365 ppm2 1.551 >>ASSI { 11612} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11612 weight 0.1000E+01 volume 2.47760 ppm1 4.187 ppm2 1.544 >>ASSI { 11622} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 11622 weight 0.1000E+01 volume 47.89710 ppm1 1.394 ppm2 0.238 >>ASSI { 11632} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11632 weight 0.1000E+01 volume 31.03050 ppm1 0.345 ppm2 0.507 >>ASSI { 11642} >> (( segid "PROT" and resid 25 and name HB2 )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 11642 weight 0.1000E+01 volume 6.26170 ppm1 1.090 ppm2 4.112 >>ASSI { 11652} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11652 weight 0.1000E+01 volume 13.93440 ppm1 3.337 ppm2 0.893 >>ASSI { 11662} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11662 weight 0.1000E+01 volume 10.73750 ppm1 3.061 ppm2 0.894 >>ASSI { 11672} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11672 weight 0.1000E+01 volume 10.13860 ppm1 2.151 ppm2 0.904 >>ASSI { 11692} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11692 weight 0.1000E+01 volume 22.92060 ppm1 1.098 ppm2 0.897 >>ASSI { 11702} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11702 weight 0.1000E+01 volume 10.42760 ppm1 1.650 ppm2 0.890 >>ASSI { 11712} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11712 weight 0.1000E+01 volume 24.63370 ppm1 0.566 ppm2 0.896 >>ASSI { 11722} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11722 weight 0.1000E+01 volume 8.07420 ppm1 0.395 ppm2 0.889 >>ASSI { 11732} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 11732 weight 0.1000E+01 volume 2.01870 ppm1 4.316 ppm2 0.909 >>ASSI { 11742} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11742 weight 0.1000E+01 volume 3.99750 ppm1 4.105 ppm2 0.667 >>ASSI { 11752} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11752 weight 0.1000E+01 volume 24.81190 ppm1 2.300 ppm2 0.668 >>ASSI { 11762} >> (( segid "PROT" and resid 25 and name HG )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11762 weight 0.1000E+01 volume 20.59750 ppm1 2.379 ppm2 0.668 >>ASSI { 11772} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11772 weight 0.1000E+01 volume 5.41530 ppm1 -0.255 ppm2 0.659 >>ASSI { 11782} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11782 weight 0.1000E+01 volume 35.35590 ppm1 0.896 ppm2 0.676 >>ASSI { 11792} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11792 weight 0.1000E+01 volume 11.76800 ppm1 1.198 ppm2 0.672 >>ASSI { 11802} >> (( segid "PROT" and resid 25 and name HB2 )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 11802 weight 0.1000E+01 volume 25.14610 ppm1 1.096 ppm2 0.668 >>ASSI { 11812} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 11812 weight 0.1000E+01 volume 3.83830 ppm1 0.673 ppm2 2.301 >>ASSI { 11822} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 11822 weight 0.1000E+01 volume 4.70050 ppm1 0.899 ppm2 2.291 >>ASSI { 11832} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 11832 weight 0.1000E+01 volume 4.32150 ppm1 0.670 ppm2 1.090 >>ASSI { 11842} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 11842 weight 0.1000E+01 volume 5.25390 ppm1 0.900 ppm2 1.093 >>ASSI { 11852} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 11852 weight 0.1000E+01 volume 5.16370 ppm1 2.294 ppm2 1.087 >>ASSI { 11872} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 11872 weight 0.1000E+01 volume 3.06580 ppm1 4.103 ppm2 1.087 >>ASSI { 11882} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 11882 weight 0.1000E+01 volume 0.70470 ppm1 4.092 ppm2 2.295 >>ASSI { 11892} >> (( segid "PROT" and resid 25 and name HB2 )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 11892 weight 0.1000E+01 volume 15.86720 ppm1 1.094 ppm2 2.297 >>ASSI { 11902} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11902 weight 0.1000E+01 volume 3.85910 ppm1 0.571 ppm2 2.374 >>ASSI { 11912} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11912 weight 0.1000E+01 volume 17.65510 ppm1 0.674 ppm2 2.376 >>ASSI { 11922} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11922 weight 0.1000E+01 volume 19.85850 ppm1 0.897 ppm2 2.376 >>ASSI { 11932} >> (( segid "PROT" and resid 25 and name HB2 )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11932 weight 0.1000E+01 volume 6.42810 ppm1 1.096 ppm2 2.374 >>ASSI { 11942} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11942 weight 0.1000E+01 volume 2.34340 ppm1 4.099 ppm2 2.378 >>ASSI { 11952} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 11952 weight 0.1000E+01 volume 1.79110 ppm1 4.318 ppm2 2.376 >>ASSI { 11962} >> (( segid "PROT" and resid 33 and name HA )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 11962 weight 0.1000E+01 volume 28.85920 ppm1 3.912 ppm2 0.827 >>ASSI { 11972} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 11972 weight 0.1000E+01 volume 15.39880 ppm1 3.204 ppm2 0.824 >>ASSI { 11982} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 11982 weight 0.1000E+01 volume 17.99970 ppm1 3.050 ppm2 0.828 >>ASSI { 11992} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 11992 weight 0.1000E+01 volume 28.27970 ppm1 1.598 ppm2 0.821 >>ASSI { 12002} >> (( segid "PROT" and resid 33 and name HG )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 12002 weight 0.1000E+01 volume 48.11690 ppm1 1.685 ppm2 0.824 >>ASSI { 12012} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 12012 weight 0.1000E+01 volume 17.59350 ppm1 2.100 ppm2 0.822 >>ASSI { 12022} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 12022 weight 0.1000E+01 volume 17.43470 ppm1 0.967 ppm2 0.826 >>ASSI { 12032} >> (( segid "PROT" and resid 33 and name HA )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12032 weight 0.1000E+01 volume 13.16650 ppm1 3.911 ppm2 0.966 >>ASSI { 12042} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12042 weight 0.1000E+01 volume 7.53580 ppm1 3.840 ppm2 0.961 >>ASSI { 12052} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12052 weight 0.1000E+01 volume 33.31500 ppm1 2.104 ppm2 0.965 >>ASSI { 12062} >> (( segid "PROT" and resid 33 and name HG )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12062 weight 0.1000E+01 volume 34.68080 ppm1 1.684 ppm2 0.966 >>ASSI { 12072} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12072 weight 0.1000E+01 volume 53.73690 ppm1 1.598 ppm2 0.961 >>ASSI { 12082} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12082 weight 0.1000E+01 volume 31.92520 ppm1 0.826 ppm2 0.966 >>ASSI { 12092} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12092 weight 0.1000E+01 volume 5.47160 ppm1 3.831 ppm2 2.088 >>ASSI { 12102} >> (( segid "PROT" and resid 33 and name HA )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12102 weight 0.1000E+01 volume 2.98460 ppm1 3.912 ppm2 2.087 >>ASSI { 12112} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12112 weight 0.1000E+01 volume 4.99920 ppm1 0.968 ppm2 2.093 >>ASSI { 12122} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12122 weight 0.1000E+01 volume 4.81370 ppm1 0.828 ppm2 2.091 >>ASSI { 12132} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 12132 weight 0.1000E+01 volume 12.03680 ppm1 0.824 ppm2 1.594 >>ASSI { 12142} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 12142 weight 0.1000E+01 volume 9.04400 ppm1 0.967 ppm2 1.592 >>ASSI { 12152} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12152 weight 0.1000E+01 volume 8.17240 ppm1 1.594 ppm2 2.093 >>ASSI { 12162} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 12162 weight 0.1000E+01 volume 24.81240 ppm1 2.098 ppm2 1.596 >>ASSI { 12172} >> (( segid "PROT" and resid 33 and name HG )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 12172 weight 0.1000E+01 volume 11.83640 ppm1 1.678 ppm2 2.091 >>ASSI { 12182} >> (( segid "PROT" and resid 33 and name HA )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12182 weight 0.1000E+01 volume 11.55570 ppm1 3.914 ppm2 1.684 >>ASSI { 12192} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12192 weight 0.1000E+01 volume 6.72180 ppm1 5.037 ppm2 1.686 >>ASSI { 12202} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12202 weight 0.1000E+01 volume 17.49130 ppm1 0.964 ppm2 1.687 >>ASSI { 12212} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12212 weight 0.1000E+01 volume 55.26750 ppm1 1.550 ppm2 1.692 >>ASSI { 12222} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12222 weight 0.1000E+01 volume 12.65270 ppm1 0.829 ppm2 1.681 >>ASSI { 12232} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 12232 weight 0.1000E+01 volume 7.70890 ppm1 5.035 ppm2 0.827 >>ASSI { 12242} >> (( segid "PROT" and resid 29 and name HA )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 12242 weight 0.1000E+01 volume 7.52540 ppm1 4.723 ppm2 0.827 >>ASSI { 12252} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 12252 weight 0.1000E+01 volume 27.80920 ppm1 5.042 ppm2 0.964 >>ASSI { 12262} >> (( segid "PROT" and resid 29 and name HA )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 12262 weight 0.1000E+01 volume 2.14240 ppm1 4.733 ppm2 1.667 >>ASSI { 12272} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12272 weight 0.1000E+01 volume 11.32350 ppm1 2.108 ppm2 3.911 >>ASSI { 12282} >> (( segid "PROT" and resid 33 and name HG )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12282 weight 0.1000E+01 volume 4.42970 ppm1 1.689 ppm2 3.913 >>ASSI { 12292} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12292 weight 0.1000E+01 volume 8.30920 ppm1 1.598 ppm2 3.915 >>ASSI { 12302} >> (( segid "PROT" and resid 36 and name HG2 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12302 weight 0.1000E+01 volume 2.50260 ppm1 1.331 ppm2 3.913 >>ASSI { 12312} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12312 weight 0.1000E+01 volume 5.29670 ppm1 0.966 ppm2 3.906 >>ASSI { 12322} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12322 weight 0.1000E+01 volume 14.74830 ppm1 0.825 ppm2 3.915 >>ASSI { 12332} >> (( segid "PROT" and resid 36 and name HB1 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12332 weight 0.1000E+01 volume 1.67030 ppm1 2.169 ppm2 3.912 >>ASSI { 12342} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12342 weight 0.1000E+01 volume 6.13210 ppm1 3.052 ppm2 3.916 >>ASSI { 12352} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 12352 weight 0.1000E+01 volume 3.52530 ppm1 3.204 ppm2 3.906 >>ASSI { 12362} >> (( segid "PROT" and resid 43 and name HD2# )) >> (( segid "PROT" and resid 43 and name HA )) >> 6 6 0 peak 12362 weight 0.1000E+01 volume 45.58830 ppm1 0.862 ppm2 4.014 >>ASSI { 12372} >> (( segid "PROT" and resid 43 and name HG )) >> (( segid "PROT" and resid 43 and name HA )) >> 6 6 0 peak 12372 weight 0.1000E+01 volume 31.38520 ppm1 1.527 ppm2 4.005 >>ASSI { 12382} >> (( segid "PROT" and resid 43 and name HB1 )) >> (( segid "PROT" and resid 43 and name HA )) >> 6 6 0 peak 12382 weight 0.1000E+01 volume 3.78170 ppm1 1.576 ppm2 4.005 >>ASSI { 12392} >> (( segid "PROT" and resid 43 and name HA )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 12392 weight 0.1000E+01 volume 50.23500 ppm1 4.013 ppm2 0.862 >>ASSI { 12402} >> (( segid "PROT" and resid 43 and name HG )) >> (( segid "PROT" and resid 43 and name HD2# )) >> 6 6 0 peak 12402 weight 0.1000E+01 volume 26.92420 ppm1 1.497 ppm2 0.861 >>ASSI { 12412} >> (( segid "PROT" and resid 43 and name HD2# )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 12412 weight 0.1000E+01 volume 90.91870 ppm1 0.850 ppm2 1.556 >>ASSI { 12422} >> (( segid "PROT" and resid 43 and name HA )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 12422 weight 0.1000E+01 volume 49.47570 ppm1 4.011 ppm2 1.556 >>ASSI { 12432} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 12432 weight 0.1000E+01 volume 27.70100 ppm1 2.928 ppm2 1.560 >>ASSI { 12442} >> (( segid "PROT" and resid 40 and name HB2 )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 12442 weight 0.1000E+01 volume 32.17910 ppm1 2.385 ppm2 1.558 >>ASSI { 12452} >> (( segid "PROT" and resid 43 and name HA )) >> (( segid "PROT" and resid 43 and name HG )) >> 6 6 0 peak 12452 weight 0.1000E+01 volume 21.72600 ppm1 4.011 ppm2 1.495 >>ASSI { 12462} >> (( segid "PROT" and resid 90 and name HA )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 12462 weight 0.1000E+01 volume 9.17600 ppm1 4.453 ppm2 1.414 >>ASSI { 12472} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 12472 weight 0.1000E+01 volume 20.06250 ppm1 2.932 ppm2 0.851 >>ASSI { 12482} >> (( segid "PROT" and resid 40 and name HB2 )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 12482 weight 0.1000E+01 volume 23.08790 ppm1 2.382 ppm2 0.860 >>ASSI { 12492} >> (( segid "PROT" and resid 43 and name HG )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 12492 weight 0.1000E+01 volume 104.07340 ppm1 1.498 ppm2 0.853 >>ASSI { 12502} >> (( segid "PROT" and resid 43 and name HB1 )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 12502 weight 0.1000E+01 volume 32.65640 ppm1 1.576 ppm2 0.853 >>ASSI { 12512} >> (( segid "PROT" and resid 43 and name HA )) >> (( segid "PROT" and resid 43 and name HD2# )) >> 6 6 0 peak 12512 weight 0.1000E+01 volume 18.03280 ppm1 4.021 ppm2 0.878 >>ASSI { 12522} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 12522 weight 0.1000E+01 volume 17.86280 ppm1 0.828 ppm2 4.188 >>ASSI { 12532} >> (( segid "PROT" and resid 44 and name HB2 )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 12532 weight 0.1000E+01 volume 7.86890 ppm1 1.360 ppm2 4.192 >>ASSI { 12542} >> (( segid "PROT" and resid 44 and name HB1 )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 12542 weight 0.1000E+01 volume 7.16820 ppm1 1.439 ppm2 4.192 >>ASSI { 12552} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 12552 weight 0.1000E+01 volume 32.66270 ppm1 4.194 ppm2 0.826 >>ASSI { 12562} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 12562 weight 0.1000E+01 volume 59.73500 ppm1 1.693 ppm2 0.821 >>ASSI { 12572} >> (( segid "PROT" and resid 44 and name HB1 )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 12572 weight 0.1000E+01 volume 9.84360 ppm1 1.459 ppm2 0.823 >>ASSI { 12582} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 12582 weight 0.1000E+01 volume 6.99710 ppm1 4.193 ppm2 0.744 >>ASSI { 12592} >> (( segid "PROT" and resid 39 and name HA )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 12592 weight 0.1000E+01 volume 19.99740 ppm1 3.208 ppm2 0.746 >>ASSI { 12602} >> (( segid "PROT" and resid 44 and name HB1 )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 12602 weight 0.1000E+01 volume 14.62430 ppm1 1.445 ppm2 0.744 >>ASSI { 12612} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 12612 weight 0.1000E+01 volume 24.32120 ppm1 1.695 ppm2 0.743 >>ASSI { 12622} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 12622 weight 0.1000E+01 volume 33.89110 ppm1 -0.371 ppm2 0.747 >>ASSI { 12632} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 12632 weight 0.1000E+01 volume 8.77650 ppm1 4.193 ppm2 1.419 >>ASSI { 12642} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 44 and name HB2 )) >> 6 6 0 peak 12642 weight 0.1000E+01 volume 1.33320 ppm1 3.619 ppm2 1.393 >>ASSI { 12652} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 12652 weight 0.1000E+01 volume 7.95910 ppm1 1.696 ppm2 1.391 >>ASSI { 12662} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "PROT" and resid 44 and name HB2 )) >> 6 6 0 peak 12662 weight 0.1000E+01 volume 12.87660 ppm1 0.749 ppm2 1.400 >>ASSI { 12672} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 12672 weight 0.1000E+01 volume 7.82000 ppm1 0.825 ppm2 1.405 >>ASSI { 12682} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 12682 weight 0.1000E+01 volume 17.80100 ppm1 4.182 ppm2 1.684 >>ASSI { 12692} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 12692 weight 0.1000E+01 volume 5.32400 ppm1 1.728 ppm2 3.945 >>ASSI { 12702} >> (( segid "PROT" and resid 36 and name HB2 )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 12702 weight 0.1000E+01 volume 3.39620 ppm1 1.901 ppm2 3.948 >>ASSI { 12712} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12712 weight 0.1000E+01 volume 61.29840 ppm1 1.361 ppm2 0.230 >>ASSI { 12722} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12722 weight 0.1000E+01 volume 28.19830 ppm1 1.553 ppm2 0.228 >>ASSI { 12732} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12732 weight 0.1000E+01 volume 12.55310 ppm1 1.769 ppm2 0.232 >>ASSI { 12742} >> (( segid "PROT" and resid 36 and name HG1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12742 weight 0.1000E+01 volume 6.85440 ppm1 2.174 ppm2 0.230 >>ASSI { 12752} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12752 weight 0.1000E+01 volume 6.95000 ppm1 3.781 ppm2 0.234 >>ASSI { 12762} >> (( segid "PROT" and resid 35 and name HB1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12762 weight 0.1000E+01 volume 6.14480 ppm1 3.837 ppm2 0.232 >>ASSI { 12772} >> (( segid "PROT" and resid 32 and name HB2 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12772 weight 0.1000E+01 volume 32.69610 ppm1 3.705 ppm2 0.230 >>ASSI { 12782} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12782 weight 0.1000E+01 volume 2.87240 ppm1 7.373 ppm2 0.230 >>ASSI { 12792} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12792 weight 0.1000E+01 volume 1.52220 ppm1 6.925 ppm2 0.582 >>ASSI { 12802} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12802 weight 0.1000E+01 volume 7.49220 ppm1 3.935 ppm2 0.578 >>ASSI { 12812} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12812 weight 0.1000E+01 volume 14.92300 ppm1 3.836 ppm2 0.580 >>ASSI { 12822} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12822 weight 0.1000E+01 volume 8.24830 ppm1 1.357 ppm2 0.580 >>ASSI { 12832} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12832 weight 0.1000E+01 volume 13.32490 ppm1 1.553 ppm2 0.584 >>ASSI { 12842} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12842 weight 0.1000E+01 volume 19.51880 ppm1 1.708 ppm2 0.582 >>ASSI { 12852} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12852 weight 0.1000E+01 volume 4.43150 ppm1 1.875 ppm2 0.591 >>ASSI { 12862} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12862 weight 0.1000E+01 volume 24.21850 ppm1 1.196 ppm2 0.580 >>ASSI { 12872} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12872 weight 0.1000E+01 volume 39.29180 ppm1 1.096 ppm2 0.578 >>ASSI { 12882} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12882 weight 0.1000E+01 volume 22.37790 ppm1 0.673 ppm2 0.577 >>ASSI { 12892} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12892 weight 0.1000E+01 volume 1.64110 ppm1 3.947 ppm2 1.354 >>ASSI { 12902} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12902 weight 0.1000E+01 volume 2.42040 ppm1 3.843 ppm2 1.354 >>ASSI { 12912} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12912 weight 0.1000E+01 volume 3.13920 ppm1 1.721 ppm2 1.359 >>ASSI { 12922} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12922 weight 0.1000E+01 volume 3.22510 ppm1 0.573 ppm2 1.360 >>ASSI { 12932} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12932 weight 0.1000E+01 volume 1.85990 ppm1 6.604 ppm2 1.361 >>ASSI { 12942} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 12942 weight 0.1000E+01 volume 29.52920 ppm1 0.237 ppm2 1.552 >>ASSI { 12952} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 12952 weight 0.1000E+01 volume 1.22280 ppm1 1.560 ppm2 3.949 >>ASSI { 12962} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12962 weight 0.1000E+01 volume 6.25130 ppm1 0.668 ppm2 0.228 >>ASSI { 12972} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 12972 weight 0.1000E+01 volume 17.53280 ppm1 2.636 ppm2 0.234 >>ASSI { 12982} >> (( segid "PROT" and resid 66 and name HB2 )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 12982 weight 0.1000E+01 volume 10.52490 ppm1 1.750 ppm2 4.354 >>ASSI { 12992} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 12992 weight 0.1000E+01 volume 16.98060 ppm1 4.356 ppm2 0.829 >>ASSI { 13002} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13002 weight 0.1000E+01 volume 29.19930 ppm1 3.669 ppm2 0.827 >>ASSI { 13012} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13012 weight 0.1000E+01 volume 3.11130 ppm1 4.198 ppm2 0.831 >>ASSI { 13022} >> (( segid "PROT" and resid 66 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13022 weight 0.1000E+01 volume 17.61510 ppm1 1.930 ppm2 0.829 >>ASSI { 13032} >> (( segid "PROT" and resid 19 and name HE# )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13032 weight 0.1000E+01 volume 8.22800 ppm1 2.042 ppm2 0.832 >>ASSI { 13042} >> (( segid "PROT" and resid 15 and name HG1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13042 weight 0.1000E+01 volume 14.14770 ppm1 1.552 ppm2 0.829 >>ASSI { 13052} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13052 weight 0.1000E+01 volume 9.25940 ppm1 1.377 ppm2 0.831 >>ASSI { 13072} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13072 weight 0.1000E+01 volume 7.95760 ppm1 2.218 ppm2 0.734 >>ASSI { 13082} >> (( segid "PROT" and resid 19 and name HE# )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13082 weight 0.1000E+01 volume 8.87280 ppm1 2.041 ppm2 0.734 >>ASSI { 13092} >> (( segid "PROT" and resid 66 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13092 weight 0.1000E+01 volume 36.63490 ppm1 1.934 ppm2 0.736 >>ASSI { 13102} >> (( segid "PROT" and resid 62 and name HG11 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13102 weight 0.1000E+01 volume 22.69490 ppm1 1.863 ppm2 0.732 >>ASSI { 13112} >> (( segid "PROT" and resid 66 and name HG )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13112 weight 0.1000E+01 volume 51.45860 ppm1 1.749 ppm2 0.736 >>ASSI { 13122} >> (( segid "PROT" and resid 15 and name HG1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13122 weight 0.1000E+01 volume 18.07210 ppm1 1.552 ppm2 0.736 >>ASSI { 13132} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13132 weight 0.1000E+01 volume 12.17520 ppm1 0.235 ppm2 0.740 >>ASSI { 13142} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13142 weight 0.1000E+01 volume 21.38880 ppm1 3.668 ppm2 0.736 >>ASSI { 13152} >> (( segid "PROT" and resid 18 and name HA )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13152 weight 0.1000E+01 volume 8.20130 ppm1 4.191 ppm2 0.736 >>ASSI { 13162} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13162 weight 0.1000E+01 volume 9.14160 ppm1 4.355 ppm2 0.734 >>ASSI { 13172} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13172 weight 0.1000E+01 volume 18.09550 ppm1 6.614 ppm2 0.738 >>ASSI { 13182} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13182 weight 0.1000E+01 volume 10.55090 ppm1 6.723 ppm2 0.735 >>ASSI { 13192} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 13192 weight 0.1000E+01 volume 6.90750 ppm1 6.840 ppm2 0.733 >>ASSI { 13202} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13202 weight 0.1000E+01 volume 12.18610 ppm1 6.739 ppm2 0.837 >>ASSI { 13212} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 13212 weight 0.1000E+01 volume 4.43960 ppm1 6.835 ppm2 0.828 >>ASSI { 13222} >> (( segid "PROT" and resid 65 and name HZ2 )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 13222 weight 0.1000E+01 volume 3.34750 ppm1 6.778 ppm2 1.938 >>ASSI { 13232} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 13232 weight 0.1000E+01 volume 0.75830 ppm1 6.855 ppm2 1.936 >>ASSI { 13242} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13242 weight 0.1000E+01 volume 2.51370 ppm1 6.855 ppm2 1.758 >>ASSI { 13252} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 13252 weight 0.1000E+01 volume 9.26530 ppm1 4.354 ppm2 1.938 >>ASSI { 13262} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13262 weight 0.1000E+01 volume 20.38860 ppm1 4.352 ppm2 1.760 >>ASSI { 13272} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13272 weight 0.1000E+01 volume 6.25660 ppm1 3.689 ppm2 1.749 >>ASSI { 13282} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 13282 weight 0.1000E+01 volume 2.97100 ppm1 3.694 ppm2 1.933 >>ASSI { 13292} >> (( segid "PROT" and resid 66 and name HB1 )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13292 weight 0.1000E+01 volume 22.98090 ppm1 1.937 ppm2 1.754 >>ASSI { 13302} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13302 weight 0.1000E+01 volume 12.10490 ppm1 0.738 ppm2 1.754 >>ASSI { 13312} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 13312 weight 0.1000E+01 volume 7.92730 ppm1 0.838 ppm2 1.753 >>ASSI { 13322} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 66 and name HG )) >> 6 6 0 peak 13322 weight 0.1000E+01 volume 18.20710 ppm1 0.833 ppm2 1.729 >>ASSI { 13332} >> (( segid "PROT" and resid 66 and name HA )) >> (( segid "PROT" and resid 66 and name HG )) >> 6 6 0 peak 13332 weight 0.1000E+01 volume 4.49140 ppm1 4.352 ppm2 1.733 >>ASSI { 13342} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 66 and name HG )) >> 6 6 0 peak 13342 weight 0.1000E+01 volume 3.18940 ppm1 3.667 ppm2 1.734 >>ASSI { 13352} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 13352 weight 0.1000E+01 volume 4.68180 ppm1 0.888 ppm2 4.238 >>ASSI { 13362} >> (( segid "PROT" and resid 104 and name HG2 )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 13362 weight 0.1000E+01 volume 4.53360 ppm1 1.236 ppm2 4.246 >>ASSI { 13372} >> (( segid "PROT" and resid 104 and name HG1 )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 13372 weight 0.1000E+01 volume 4.40390 ppm1 1.479 ppm2 4.235 >>ASSI { 13382} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 13382 weight 0.1000E+01 volume 9.36610 ppm1 1.632 ppm2 4.233 >>ASSI { 13392} >> (( segid "PROT" and resid 104 and name HD1 )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 13392 weight 0.1000E+01 volume 5.87930 ppm1 1.799 ppm2 4.241 >>ASSI { 13402} >> (( segid "PROT" and resid 104 and name HB1 )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 13402 weight 0.1000E+01 volume 10.28060 ppm1 2.007 ppm2 4.241 >>ASSI { 13412} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 13412 weight 0.1000E+01 volume 8.69080 ppm1 2.202 ppm2 4.226 >>ASSI { 13422} >> (( segid "PROT" and resid 86 and name HB2 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 13422 weight 0.1000E+01 volume 3.84250 ppm1 2.890 ppm2 4.235 >>ASSI { 13432} >> (( segid "PROT" and resid 7 and name HA )) >> (( segid "PROT" and resid 7 and name HD1 )) >> 6 6 0 peak 13432 weight 0.1000E+01 volume 15.80890 ppm1 4.238 ppm2 1.503 >>ASSI { 13442} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13442 weight 0.1000E+01 volume 8.81140 ppm1 4.232 ppm2 0.884 >>ASSI { 13452} >> (( segid "PROT" and resid 7 and name HA )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 13452 weight 0.1000E+01 volume 21.04980 ppm1 4.238 ppm2 1.095 >>ASSI { 13462} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13462 weight 0.1000E+01 volume 18.57380 ppm1 2.172 ppm2 0.882 >>ASSI { 13472} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13472 weight 0.1000E+01 volume 37.29360 ppm1 1.989 ppm2 0.884 >>ASSI { 13482} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13482 weight 0.1000E+01 volume 15.89530 ppm1 1.644 ppm2 0.884 >>ASSI { 13492} >> (( segid "PROT" and resid 83 and name HG )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13492 weight 0.1000E+01 volume 56.47270 ppm1 1.411 ppm2 0.890 >>ASSI { 13502} >> (( segid "PROT" and resid 57 and name HB2 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13502 weight 0.1000E+01 volume 11.71130 ppm1 1.248 ppm2 0.889 >>ASSI { 13512} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13512 weight 0.1000E+01 volume 21.60150 ppm1 1.107 ppm2 0.888 >>ASSI { 13522} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13522 weight 0.1000E+01 volume 2.42090 ppm1 4.238 ppm2 2.174 >>ASSI { 13532} >> (( segid "PROT" and resid 83 and name HA )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 13532 weight 0.1000E+01 volume 2.94750 ppm1 4.232 ppm2 1.648 >>ASSI { 13542} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 13542 weight 0.1000E+01 volume 3.02110 ppm1 4.560 ppm2 1.648 >>ASSI { 13552} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13552 weight 0.1000E+01 volume 2.98680 ppm1 4.553 ppm2 2.166 >>ASSI { 13562} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13562 weight 0.1000E+01 volume 5.76560 ppm1 1.638 ppm2 2.164 >>ASSI { 13572} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 13572 weight 0.1000E+01 volume 9.44150 ppm1 2.171 ppm2 1.641 >>ASSI { 13582} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13582 weight 0.1000E+01 volume 6.30210 ppm1 0.885 ppm2 2.169 >>ASSI { 13592} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13592 weight 0.1000E+01 volume 13.45990 ppm1 1.098 ppm2 2.196 >>ASSI { 13602} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 13602 weight 0.1000E+01 volume 5.88030 ppm1 0.875 ppm2 1.648 >>ASSI { 13612} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 13612 weight 0.1000E+01 volume 7.60670 ppm1 1.106 ppm2 1.656 >>ASSI { 13622} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 13622 weight 0.1000E+01 volume 12.77430 ppm1 4.549 ppm2 0.882 >>ASSI { 13632} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 13632 weight 0.1000E+01 volume 6.21320 ppm1 4.549 ppm2 1.108 >>ASSI { 13642} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 13642 weight 0.1000E+01 volume 13.57640 ppm1 2.173 ppm2 1.106 >>ASSI { 13652} >> (( segid "PROT" and resid 22 and name HB1 )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 13652 weight 0.1000E+01 volume 9.63170 ppm1 2.213 ppm2 2.067 >>ASSI { 13662} >> (( segid "PROT" and resid 83 and name HG )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 13662 weight 0.1000E+01 volume 2.98580 ppm1 1.413 ppm2 2.172 >>ASSI { 13672} >> (( segid "PROT" and resid 90 and name HD1# )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 13672 weight 0.1000E+01 volume 19.59060 ppm1 0.985 ppm2 4.444 >>ASSI { 13682} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 13682 weight 0.1000E+01 volume 3.20900 ppm1 1.416 ppm2 4.451 >>ASSI { 13692} >> (( segid "PROT" and resid 90 and name HB2 )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 13692 weight 0.1000E+01 volume 7.40100 ppm1 1.829 ppm2 4.456 >>ASSI { 13702} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 13702 weight 0.1000E+01 volume 3.81080 ppm1 2.141 ppm2 4.454 >>ASSI { 13712} >> (( segid "PROT" and resid 90 and name HD2# )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 13712 weight 0.1000E+01 volume 31.19410 ppm1 0.989 ppm2 2.125 >>ASSI { 13722} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 13722 weight 0.1000E+01 volume 5.08570 ppm1 1.416 ppm2 2.125 >>ASSI { 13732} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 13732 weight 0.1000E+01 volume 8.30170 ppm1 1.421 ppm2 1.808 >>ASSI { 13742} >> (( segid "PROT" and resid 90 and name HB2 )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 13742 weight 0.1000E+01 volume 7.51960 ppm1 1.828 ppm2 2.125 >>ASSI { 13752} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 13752 weight 0.1000E+01 volume 12.63620 ppm1 2.140 ppm2 1.833 >>ASSI { 13762} >> (( segid "PROT" and resid 90 and name HA )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 13762 weight 0.1000E+01 volume 13.91590 ppm1 4.455 ppm2 2.136 >>ASSI { 13772} >> (( segid "PROT" and resid 90 and name HA )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 13772 weight 0.1000E+01 volume 25.93930 ppm1 4.446 ppm2 1.817 >>ASSI { 13782} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 13782 weight 0.1000E+01 volume 10.53010 ppm1 2.138 ppm2 1.413 >>ASSI { 13792} >> (( segid "PROT" and resid 90 and name HB2 )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 13792 weight 0.1000E+01 volume 23.91330 ppm1 1.827 ppm2 0.984 >>ASSI { 13802} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 13802 weight 0.1000E+01 volume 31.20740 ppm1 1.416 ppm2 0.983 >>ASSI { 13812} >> (( segid "PROT" and resid 90 and name HA )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 13812 weight 0.1000E+01 volume 23.85900 ppm1 4.455 ppm2 0.986 >>ASSI { 13822} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 13822 weight 0.1000E+01 volume 7.14400 ppm1 4.422 ppm2 1.085 >>ASSI { 13832} >> (( segid "PROT" and resid 87 and name HA )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13832 weight 0.1000E+01 volume 19.23800 ppm1 4.456 ppm2 0.989 >>ASSI { 13842} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13842 weight 0.1000E+01 volume 4.21100 ppm1 4.005 ppm2 0.988 >>ASSI { 13852} >> (( segid "PROT" and resid 101 and name HZ )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13852 weight 0.1000E+01 volume 1.33780 ppm1 7.143 ppm2 1.016 >>ASSI { 13862} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13862 weight 0.1000E+01 volume 1.64950 ppm1 7.313 ppm2 1.010 >>ASSI { 13872} >> (( segid "PROT" and resid 53 and name HA )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13872 weight 0.1000E+01 volume 6.92640 ppm1 3.536 ppm2 0.987 >>ASSI { 13882} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13882 weight 0.1000E+01 volume 16.05010 ppm1 3.011 ppm2 1.016 >>ASSI { 13892} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13892 weight 0.1000E+01 volume 10.46480 ppm1 2.139 ppm2 0.987 >>ASSI { 13902} >> (( segid "PROT" and resid 90 and name HB2 )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13902 weight 0.1000E+01 volume 12.57830 ppm1 1.828 ppm2 0.989 >>ASSI { 13912} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 13912 weight 0.1000E+01 volume 31.92120 ppm1 1.418 ppm2 0.985 >>ASSI { 13922} >> (( segid "PROT" and resid 97 and name HB2 )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13922 weight 0.1000E+01 volume 8.78210 ppm1 1.344 ppm2 1.015 >>ASSI { 13932} >> (( segid "PROT" and resid 97 and name HB1 )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13932 weight 0.1000E+01 volume 12.65540 ppm1 1.604 ppm2 1.018 >>ASSI { 13942} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 13942 weight 0.1000E+01 volume 22.16300 ppm1 0.687 ppm2 1.012 >>ASSI { 13952} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 13952 weight 0.1000E+01 volume 3.78420 ppm1 0.580 ppm2 1.083 >>ASSI { 13962} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 13962 weight 0.1000E+01 volume 17.67250 ppm1 0.891 ppm2 3.623 >>ASSI { 13972} >> (( segid "PROT" and resid 105 and name HB1 )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 13972 weight 0.1000E+01 volume 4.08720 ppm1 1.512 ppm2 3.627 >>ASSI { 13982} >> (( segid "PROT" and resid 28 and name HG2 )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 13982 weight 0.1000E+01 volume 3.42440 ppm1 2.057 ppm2 3.641 >>ASSI { 13992} >> (( segid "PROT" and resid 25 and name HA )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 13992 weight 0.1000E+01 volume 0.92270 ppm1 4.119 ppm2 3.634 >>ASSI { 14002} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 14002 weight 0.1000E+01 volume 11.01640 ppm1 0.392 ppm2 1.645 >>ASSI { 14012} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 14012 weight 0.1000E+01 volume 11.48250 ppm1 0.570 ppm2 1.641 >>ASSI { 14022} >> (( segid "PROT" and resid 105 and name HA )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 14022 weight 0.1000E+01 volume 4.09760 ppm1 3.633 ppm2 1.649 >>ASSI { 14032} >> (( segid "PROT" and resid 5 and name HA )) >> (( segid "PROT" and resid 5 and name HG1 )) >> 6 6 0 peak 14032 weight 0.1000E+01 volume 18.70990 ppm1 4.328 ppm2 1.600 >>ASSI { 14042} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 14042 weight 0.1000E+01 volume 2.59230 ppm1 7.036 ppm2 0.388 >>ASSI { 14052} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 14052 weight 0.1000E+01 volume 2.95580 ppm1 7.088 ppm2 0.387 >>ASSI { 14062} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 14062 weight 0.1000E+01 volume 13.58860 ppm1 1.112 ppm2 0.388 >>ASSI { 14072} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 14072 weight 0.1000E+01 volume 28.27450 ppm1 0.567 ppm2 0.392 >>ASSI { 14082} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 14082 weight 0.1000E+01 volume 20.91930 ppm1 0.896 ppm2 0.563 >>ASSI { 14092} >> (( segid "PROT" and resid 32 and name HA )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 14092 weight 0.1000E+01 volume 17.40770 ppm1 4.367 ppm2 0.563 >>ASSI { 14112} >> (( segid "PROT" and resid 43 and name HD2# )) >> (( segid "PROT" and resid 43 and name HG )) >> 6 6 0 peak 14112 weight 0.1000E+01 volume 77.89970 ppm1 0.840 ppm2 1.470 >>ASSI { 14122} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 14122 weight 0.1000E+01 volume 14.20140 ppm1 1.632 ppm2 4.429 >>ASSI { 14132} >> (( segid "PROT" and resid 120 and name HB1 )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 14132 weight 0.1000E+01 volume 25.01080 ppm1 1.775 ppm2 4.432 >>ASSI { 14142} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 14142 weight 0.1000E+01 volume 3.67100 ppm1 7.390 ppm2 4.430 >>ASSI { 14162} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 14162 weight 0.1000E+01 volume 6.82480 ppm1 7.392 ppm2 0.608 >>ASSI { 14172} >> (( segid "PROT" and resid 17 and name HA )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 14172 weight 0.1000E+01 volume 3.70360 ppm1 4.186 ppm2 0.614 >>ASSI { 14182} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 14182 weight 0.1000E+01 volume 15.10060 ppm1 1.346 ppm2 0.610 >>ASSI { 14192} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 14192 weight 0.1000E+01 volume 6.43050 ppm1 1.400 ppm2 0.610 >>ASSI { 14202} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 14202 weight 0.1000E+01 volume 6.78220 ppm1 0.258 ppm2 0.612 >>ASSI { 14212} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 14212 weight 0.1000E+01 volume 16.49740 ppm1 7.387 ppm2 0.663 >>ASSI { 14222} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 14222 weight 0.1000E+01 volume 6.01200 ppm1 0.267 ppm2 0.662 >>ASSI { 14232} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 14232 weight 0.1000E+01 volume 37.48560 ppm1 1.339 ppm2 0.657 >>ASSI { 14242} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 14242 weight 0.1000E+01 volume 20.29860 ppm1 1.097 ppm2 4.310 >>ASSI { 14252} >> (( segid "PROT" and resid 72 and name HB2 )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 14252 weight 0.1000E+01 volume 41.10180 ppm1 2.130 ppm2 4.294 >>ASSI { 14262} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 85 and name HA )) >> 6 6 0 peak 14262 weight 0.1000E+01 volume 1.93650 ppm1 2.492 ppm2 4.188 >>ASSI { 14272} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 14272 weight 0.1000E+01 volume 12.59660 ppm1 1.088 ppm2 2.065 >>ASSI { 14282} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 14282 weight 0.1000E+01 volume 4.86680 ppm1 1.871 ppm2 2.208 >>ASSI { 14292} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 14292 weight 0.1000E+01 volume 6.86150 ppm1 1.875 ppm2 2.067 >>ASSI { 14302} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 14302 weight 0.1000E+01 volume 3.28170 ppm1 4.313 ppm2 2.212 >>ASSI { 14312} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 14312 weight 0.1000E+01 volume 2.53090 ppm1 4.422 ppm2 2.212 >>ASSI { 14322} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 14322 weight 0.1000E+01 volume 5.60400 ppm1 4.422 ppm2 2.058 >>ASSI { 14332} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 14332 weight 0.1000E+01 volume 4.16150 ppm1 4.306 ppm2 2.065 >>ASSI { 14342} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 14342 weight 0.1000E+01 volume 3.02240 ppm1 6.616 ppm2 2.065 >>ASSI { 14352} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 14352 weight 0.1000E+01 volume 1.81490 ppm1 6.613 ppm2 2.206 >>ASSI { 14362} >> (( segid "PROT" and resid 70 and name HB2 )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 14362 weight 0.1000E+01 volume 9.23020 ppm1 1.084 ppm2 1.997 >>ASSI { 14372} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 22 and name HG )) >> 6 6 0 peak 14372 weight 0.1000E+01 volume 25.54810 ppm1 1.093 ppm2 1.868 >>ASSI { 14382} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14382 weight 0.1000E+01 volume 22.44220 ppm1 1.873 ppm2 1.095 >>ASSI { 14392} >> (( segid "PROT" and resid 22 and name HB2 )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14392 weight 0.1000E+01 volume 26.81400 ppm1 2.055 ppm2 1.099 >>ASSI { 14402} >> (( segid "PROT" and resid 22 and name HB1 )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14402 weight 0.1000E+01 volume 16.59690 ppm1 2.211 ppm2 1.096 >>ASSI { 14412} >> (( segid "PROT" and resid 7 and name HB1 )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 14412 weight 0.1000E+01 volume 44.95640 ppm1 1.600 ppm2 1.098 >>ASSI { 14422} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 14422 weight 0.1000E+01 volume 17.03770 ppm1 1.699 ppm2 1.096 >>ASSI { 14432} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14432 weight 0.1000E+01 volume 9.51610 ppm1 0.236 ppm2 1.099 >>ASSI { 14442} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14442 weight 0.1000E+01 volume 6.52100 ppm1 0.347 ppm2 1.096 >>ASSI { 14452} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14452 weight 0.1000E+01 volume 23.02220 ppm1 0.579 ppm2 1.099 >>ASSI { 14462} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14462 weight 0.1000E+01 volume 16.07560 ppm1 0.670 ppm2 1.099 >>ASSI { 14472} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14472 weight 0.1000E+01 volume 5.56840 ppm1 -0.259 ppm2 1.102 >>ASSI { 14482} >> (( segid "PROT" and resid 22 and name HB1 )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 14482 weight 0.1000E+01 volume 13.26270 ppm1 2.213 ppm2 1.089 >>ASSI { 14492} >> (( segid "PROT" and resid 22 and name HB2 )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14492 weight 0.1000E+01 volume 12.64640 ppm1 2.040 ppm2 1.087 >>ASSI { 14502} >> (( segid "PROT" and resid 22 and name HG )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14502 weight 0.1000E+01 volume 28.14660 ppm1 1.873 ppm2 1.090 >>ASSI { 14512} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 14512 weight 0.1000E+01 volume 5.14870 ppm1 4.313 ppm2 1.086 >>ASSI { 14522} >> (( segid "PROT" and resid 22 and name HA )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14522 weight 0.1000E+01 volume 16.90280 ppm1 4.314 ppm2 1.100 >>ASSI { 14532} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14532 weight 0.1000E+01 volume 5.79540 ppm1 3.839 ppm2 1.097 >>ASSI { 14542} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14542 weight 0.1000E+01 volume 33.99480 ppm1 6.608 ppm2 1.095 >>ASSI { 14552} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 14552 weight 0.1000E+01 volume 4.97880 ppm1 6.960 ppm2 1.099 >>ASSI { 14562} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 22 and name HG )) >> 6 6 0 peak 14562 weight 0.1000E+01 volume 4.50020 ppm1 6.606 ppm2 1.870 >>ASSI { 14572} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 22 and name HG )) >> 6 6 0 peak 14572 weight 0.1000E+01 volume 2.63790 ppm1 6.926 ppm2 1.869 >>ASSI { 14582} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 14582 weight 0.1000E+01 volume 18.75310 ppm1 1.095 ppm2 2.215 >>ASSI { 14592} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 14592 weight 0.1000E+01 volume 2.51730 ppm1 6.611 ppm2 4.312 >>ASSI { 14602} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 14602 weight 0.1000E+01 volume 6.33040 ppm1 0.737 ppm2 4.419 >>ASSI { 14612} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 14612 weight 0.1000E+01 volume 2.35600 ppm1 0.839 ppm2 4.424 >>ASSI { 14622} >> (( segid "PROT" and resid 19 and name HE# )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 14622 weight 0.1000E+01 volume 7.42950 ppm1 2.047 ppm2 4.416 >>ASSI { 14632} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 14632 weight 0.1000E+01 volume 2.54450 ppm1 0.736 ppm2 2.208 >>ASSI { 14642} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 14642 weight 0.1000E+01 volume 5.35970 ppm1 0.850 ppm2 2.203 >>ASSI { 14652} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 14652 weight 0.1000E+01 volume 42.13940 ppm1 3.634 ppm2 2.203 >>ASSI { 14662} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 19 and name HG1 )) >> 6 6 0 peak 14662 weight 0.1000E+01 volume 2.25380 ppm1 3.626 ppm2 2.660 >>ASSI { 14672} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 19 and name HG2 )) >> 6 6 0 peak 14672 weight 0.1000E+01 volume 2.97460 ppm1 3.615 ppm2 2.558 >>ASSI { 14682} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 19 and name HG2 )) >> 6 6 0 peak 14682 weight 0.1000E+01 volume 4.31320 ppm1 4.421 ppm2 2.556 >>ASSI { 14692} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 19 and name HG1 )) >> 6 6 0 peak 14692 weight 0.1000E+01 volume 34.08780 ppm1 2.224 ppm2 2.664 >>ASSI { 14702} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 19 and name HG2 )) >> 6 6 0 peak 14702 weight 0.1000E+01 volume 16.22540 ppm1 2.223 ppm2 2.544 >>ASSI { 14712} >> (( segid "PROT" and resid 15 and name HG2 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 14712 weight 0.1000E+01 volume 27.17340 ppm1 1.460 ppm2 2.014 >>ASSI { 14722} >> (( segid "PROT" and resid 15 and name HG1 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 14722 weight 0.1000E+01 volume 13.08590 ppm1 1.550 ppm2 2.013 >>ASSI { 14732} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 14732 weight 0.1000E+01 volume 6.08770 ppm1 3.681 ppm2 2.010 >>ASSI { 14742} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 14742 weight 0.1000E+01 volume 7.29250 ppm1 4.421 ppm2 2.015 >>ASSI { 14752} >> (( segid "PROT" and resid 19 and name HE# )) >> (( segid "PROT" and resid 19 and name HG1 )) >> 6 6 0 peak 14752 weight 0.1000E+01 volume 15.93820 ppm1 2.001 ppm2 2.652 >>ASSI { 14762} >> (( segid "PROT" and resid 57 and name HG1 )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 14762 weight 0.1000E+01 volume 14.41840 ppm1 3.004 ppm2 1.994 >>ASSI { 14772} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 57 and name HB2 )) >> 6 6 0 peak 14772 weight 0.1000E+01 volume 2.04950 ppm1 5.064 ppm2 1.262 >>ASSI { 14782} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 57 and name HB2 )) >> 6 6 0 peak 14782 weight 0.1000E+01 volume 3.60210 ppm1 1.987 ppm2 1.262 >>ASSI { 14792} >> (( segid "PROT" and resid 60 and name HB2 )) >> (( segid "PROT" and resid 60 and name HB1 )) >> 6 6 0 peak 14792 weight 0.1000E+01 volume 7.76260 ppm1 3.975 ppm2 4.353 >>ASSI { 14802} >> (( segid "PROT" and resid 60 and name HB1 )) >> (( segid "PROT" and resid 60 and name HB2 )) >> 6 6 0 peak 14802 weight 0.1000E+01 volume 21.76000 ppm1 4.350 ppm2 3.974 >>ASSI { 14812} >> (( segid "PROT" and resid 60 and name HA )) >> (( segid "PROT" and resid 60 and name HB2 )) >> 6 6 0 peak 14812 weight 0.1000E+01 volume 15.69380 ppm1 4.238 ppm2 3.978 >>ASSI { 14822} >> (( segid "PROT" and resid 60 and name HB2 )) >> (( segid "PROT" and resid 60 and name HA )) >> 6 6 0 peak 14822 weight 0.1000E+01 volume 4.22090 ppm1 3.973 ppm2 4.241 >>ASSI { 14832} >> (( segid "PROT" and resid 60 and name HB1 )) >> (( segid "PROT" and resid 60 and name HA )) >> 6 6 0 peak 14832 weight 0.1000E+01 volume 15.17950 ppm1 4.351 ppm2 4.245 >>ASSI { 14842} >> (( segid "PROT" and resid 103 and name HB2 )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 14842 weight 0.1000E+01 volume 7.71120 ppm1 4.112 ppm2 4.243 >>ASSI { 14852} >> (( segid "PROT" and resid 96 and name HB2 )) >> (( segid "PROT" and resid 96 and name HB1 )) >> 6 6 0 peak 14852 weight 0.1000E+01 volume 9.43840 ppm1 3.998 ppm2 4.346 >>ASSI { 14862} >> (( segid "PROT" and resid 96 and name HA )) >> (( segid "PROT" and resid 96 and name HB2 )) >> 6 6 0 peak 14862 weight 0.1000E+01 volume 3.71540 ppm1 4.422 ppm2 3.995 >>ASSI { 14872} >> (( segid "PROT" and resid 96 and name HB1 )) >> (( segid "PROT" and resid 96 and name HB2 )) >> 6 6 0 peak 14872 weight 0.1000E+01 volume 5.40740 ppm1 4.346 ppm2 3.995 >>ASSI { 14882} >> (( segid "PROT" and resid 103 and name HA )) >> (( segid "PROT" and resid 103 and name HB2 )) >> 6 6 0 peak 14882 weight 0.1000E+01 volume 7.67060 ppm1 4.452 ppm2 4.124 >>ASSI { 14892} >> (( segid "PROT" and resid 103 and name HA )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 14892 weight 0.1000E+01 volume 3.36700 ppm1 4.451 ppm2 4.243 >>ASSI { 14902} >> (( segid "PROT" and resid 105 and name HB2 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 14902 weight 0.1000E+01 volume 1.34280 ppm1 1.123 ppm2 3.244 >>ASSI { 14912} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 14912 weight 0.1000E+01 volume 2.18310 ppm1 6.056 ppm2 3.237 >>ASSI { 14922} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 14922 weight 0.1000E+01 volume 6.55040 ppm1 3.234 ppm2 3.038 >>ASSI { 14932} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 14932 weight 0.1000E+01 volume 5.30840 ppm1 3.242 ppm2 2.705 >>ASSI { 14942} >> (( segid "PROT" and resid 102 and name HB1 )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 14942 weight 0.1000E+01 volume 7.71140 ppm1 3.039 ppm2 2.708 >>ASSI { 14952} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 14952 weight 0.1000E+01 volume 1.92100 ppm1 3.782 ppm2 2.701 >>ASSI { 14962} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 14962 weight 0.1000E+01 volume 3.57630 ppm1 3.788 ppm2 3.040 >>ASSI { 14972} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 14972 weight 0.1000E+01 volume 2.35610 ppm1 7.033 ppm2 3.035 >>ASSI { 14982} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 14982 weight 0.1000E+01 volume 4.31560 ppm1 7.031 ppm2 2.704 >>ASSI { 14992} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 14992 weight 0.1000E+01 volume 1.35610 ppm1 7.349 ppm2 2.704 >>ASSI { 15002} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 15002 weight 0.1000E+01 volume 0.98260 ppm1 7.349 ppm2 3.033 >>ASSI { 15012} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 15012 weight 0.1000E+01 volume 2.39980 ppm1 1.746 ppm2 3.036 >>ASSI { 15022} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 15022 weight 0.1000E+01 volume 2.96130 ppm1 1.751 ppm2 2.708 >>ASSI { 15032} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 15032 weight 0.1000E+01 volume 6.94110 ppm1 5.039 ppm2 4.722 >>ASSI { 15042} >> (( segid "PROT" and resid 29 and name HB2 )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 15042 weight 0.1000E+01 volume 3.02170 ppm1 2.259 ppm2 4.721 >>ASSI { 15052} >> (( segid "PROT" and resid 33 and name HB1 )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 15052 weight 0.1000E+01 volume 1.59800 ppm1 2.118 ppm2 4.717 >>ASSI { 15062} >> (( segid "PROT" and resid 58 and name HA )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 15062 weight 0.1000E+01 volume 3.03220 ppm1 4.866 ppm2 2.301 >>ASSI { 15072} >> (( segid "PROT" and resid 58 and name HA )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 15072 weight 0.1000E+01 volume 7.56500 ppm1 4.863 ppm2 2.588 >>ASSI { 15082} >> (( segid "PROT" and resid 58 and name HB2 )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 15082 weight 0.1000E+01 volume 7.39880 ppm1 2.298 ppm2 2.596 >>ASSI { 15092} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 40 and name HB1 )) >> 6 6 0 peak 15092 weight 0.1000E+01 volume 4.32930 ppm1 5.084 ppm2 2.928 >>ASSI { 15102} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 40 and name HB2 )) >> 6 6 0 peak 15102 weight 0.1000E+01 volume 8.55460 ppm1 5.085 ppm2 2.389 >>ASSI { 15112} >> (( segid "PROT" and resid 29 and name HB2 )) >> (( segid "PROT" and resid 29 and name HB1 )) >> 6 6 0 peak 15112 weight 0.1000E+01 volume 18.62620 ppm1 2.255 ppm2 2.768 >>ASSI { 15122} >> (( segid "PROT" and resid 29 and name HB1 )) >> (( segid "PROT" and resid 29 and name HB2 )) >> 6 6 0 peak 15122 weight 0.1000E+01 volume 10.43960 ppm1 2.773 ppm2 2.256 >>ASSI { 15132} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 15132 weight 0.1000E+01 volume 1.93880 ppm1 1.091 ppm2 5.082 >>ASSI { 15142} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 15142 weight 0.1000E+01 volume 4.92750 ppm1 1.576 ppm2 5.084 >>ASSI { 15152} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 15152 weight 0.1000E+01 volume 10.04480 ppm1 2.932 ppm2 5.084 >>ASSI { 15162} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 15162 weight 0.1000E+01 volume 3.65430 ppm1 3.738 ppm2 5.085 >>ASSI { 15172} >> (( segid "PROT" and resid 40 and name HB2 )) >> (( segid "PROT" and resid 40 and name HB1 )) >> 6 6 0 peak 15172 weight 0.1000E+01 volume 22.28200 ppm1 2.386 ppm2 2.936 >>ASSI { 15182} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 40 and name HB2 )) >> 6 6 0 peak 15182 weight 0.1000E+01 volume 22.25250 ppm1 2.927 ppm2 2.387 >>ASSI { 15192} >> (( segid "PROT" and resid 65 and name HD1 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 15192 weight 0.1000E+01 volume 12.11870 ppm1 1.556 ppm2 2.375 >>ASSI { 15202} >> (( segid "PROT" and resid 48 and name HB1 )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 15202 weight 0.1000E+01 volume 8.88270 ppm1 3.124 ppm2 4.606 >>ASSI { 15212} >> (( segid "PROT" and resid 48 and name HB1 )) >> (( segid "PROT" and resid 48 and name HB2 )) >> 6 6 0 peak 15212 weight 0.1000E+01 volume 7.90780 ppm1 3.122 ppm2 2.621 >>ASSI { 15222} >> (( segid "PROT" and resid 48 and name HA )) >> (( segid "PROT" and resid 48 and name HB1 )) >> 6 6 0 peak 15222 weight 0.1000E+01 volume 3.27770 ppm1 4.601 ppm2 3.115 >>ASSI { 15232} >> (( segid "PROT" and resid 48 and name HA )) >> (( segid "PROT" and resid 48 and name HB2 )) >> 6 6 0 peak 15232 weight 0.1000E+01 volume 5.94500 ppm1 4.597 ppm2 2.647 >>ASSI { 15242} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 15242 weight 0.1000E+01 volume 3.06900 ppm1 0.888 ppm2 5.067 >>ASSI { 15252} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 15252 weight 0.1000E+01 volume 6.86060 ppm1 0.738 ppm2 2.380 >>ASSI { 15262} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 15262 weight 0.1000E+01 volume 7.60150 ppm1 1.224 ppm2 2.831 >>ASSI { 15272} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 15272 weight 0.1000E+01 volume 4.60710 ppm1 1.224 ppm2 2.581 >>ASSI { 15282} >> (( segid "PROT" and resid 67 and name HB2 )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 15282 weight 0.1000E+01 volume 21.62540 ppm1 2.594 ppm2 2.851 >>ASSI { 15292} >> (( segid "PROT" and resid 67 and name HB1 )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 15292 weight 0.1000E+01 volume 11.17730 ppm1 2.843 ppm2 2.588 >>ASSI { 15302} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 15302 weight 0.1000E+01 volume 6.54870 ppm1 2.171 ppm2 4.556 >>ASSI { 15312} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 15312 weight 0.1000E+01 volume 5.23950 ppm1 1.632 ppm2 4.534 >>ASSI { 15322} >> (( segid "PROT" and resid 80 and name HB2 )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 15322 weight 0.1000E+01 volume 1.91200 ppm1 2.496 ppm2 4.551 >>ASSI { 15332} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 79 and name HB1 )) >> 6 6 0 peak 15332 weight 0.1000E+01 volume 2.75650 ppm1 3.887 ppm2 2.854 >>ASSI { 15342} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 79 and name HB2 )) >> 6 6 0 peak 15342 weight 0.1000E+01 volume 2.40010 ppm1 3.882 ppm2 2.698 >>ASSI { 15352} >> (( segid "PROT" and resid 80 and name HA )) >> (( segid "PROT" and resid 80 and name HB2 )) >> 6 6 0 peak 15352 weight 0.1000E+01 volume 2.13020 ppm1 4.552 ppm2 2.508 >>ASSI { 15362} >> (( segid "PROT" and resid 80 and name HB1 )) >> (( segid "PROT" and resid 80 and name HB2 )) >> 6 6 0 peak 15362 weight 0.1000E+01 volume 2.97310 ppm1 2.790 ppm2 2.502 >>ASSI { 15372} >> (( segid "PROT" and resid 117 and name HB1 )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 15372 weight 0.1000E+01 volume 2.13090 ppm1 2.208 ppm2 4.559 >>ASSI { 15382} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 15382 weight 0.1000E+01 volume 6.31080 ppm1 3.763 ppm2 2.840 >>ASSI { 15392} >> (( segid "PROT" and resid 115 and name HD1 )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 15392 weight 0.1000E+01 volume 8.71710 ppm1 3.764 ppm2 2.681 >>ASSI { 15402} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 15402 weight 0.1000E+01 volume 3.91120 ppm1 0.722 ppm2 2.833 >>ASSI { 15412} >> (( segid "PROT" and resid 69 and name HA2 )) >> (( segid "PROT" and resid 69 and name HA1 )) >> 6 6 0 peak 15412 weight 0.1000E+01 volume 16.21310 ppm1 3.909 ppm2 4.253 >>ASSI { 15422} >> (( segid "PROT" and resid 69 and name HA1 )) >> (( segid "PROT" and resid 69 and name HA2 )) >> 6 6 0 peak 15422 weight 0.1000E+01 volume 20.06750 ppm1 4.263 ppm2 3.909 >>ASSI { 15432} >> (( segid "PROT" and resid 121 and name HA2 )) >> (( segid "PROT" and resid 121 and name HA1 )) >> 6 6 0 peak 15432 weight 0.1000E+01 volume 50.09800 ppm1 3.791 ppm2 3.882 >>ASSI { 15442} >> (( segid "PROT" and resid 121 and name HA1 )) >> (( segid "PROT" and resid 121 and name HA2 )) >> 6 6 0 peak 15442 weight 0.1000E+01 volume 87.61800 ppm1 3.876 ppm2 3.791 >>ASSI { 15452} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 38 and name HD1 )) >> 6 6 0 peak 15452 weight 0.1000E+01 volume 3.96110 ppm1 4.921 ppm2 3.690 >>ASSI { 15462} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 38 and name HD2 )) >> 6 6 0 peak 15462 weight 0.1000E+01 volume 3.13150 ppm1 4.919 ppm2 3.454 >>ASSI { 15472} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 15472 weight 0.1000E+01 volume 3.35440 ppm1 3.696 ppm2 2.737 >>ASSI { 15482} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 15482 weight 0.1000E+01 volume 2.11140 ppm1 1.988 ppm2 2.731 >>ASSI { 15492} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 15492 weight 0.1000E+01 volume 1.67630 ppm1 1.105 ppm2 2.904 >>ASSI { 15502} >> (( segid "PROT" and resid 86 and name HB2 )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 15502 weight 0.1000E+01 volume 21.97400 ppm1 2.889 ppm2 3.125 >>ASSI { 15512} >> (( segid "PROT" and resid 87 and name HB1 )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 15512 weight 0.1000E+01 volume 6.40700 ppm1 3.080 ppm2 4.452 >>ASSI { 15522} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 15522 weight 0.1000E+01 volume 4.43800 ppm1 2.143 ppm2 4.455 >>ASSI { 15532} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 87 and name HB1 )) >> 6 6 0 peak 15532 weight 0.1000E+01 volume 1.28270 ppm1 0.442 ppm2 3.078 >>ASSI { 15542} >> (( segid "PROT" and resid 92 and name HB1 )) >> (( segid "PROT" and resid 92 and name HA )) >> 6 6 0 peak 15542 weight 0.1000E+01 volume 1.26250 ppm1 3.089 ppm2 4.674 >>ASSI { 15552} >> (( segid "PROT" and resid 115 and name HB2 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 15552 weight 0.1000E+01 volume 39.65180 ppm1 1.853 ppm2 2.038 >>ASSI { 15562} >> (( segid "PROT" and resid 112 and name HA )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 15562 weight 0.1000E+01 volume 5.18880 ppm1 4.125 ppm2 2.008 >>ASSI { 15572} >> (( segid "PROT" and resid 14 and name HB1 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 15572 weight 0.1000E+01 volume 3.96620 ppm1 1.661 ppm2 4.234 >>ASSI { 15582} >> (( segid "PROT" and resid 11 and name HB2 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 15582 weight 0.1000E+01 volume 23.02610 ppm1 2.039 ppm2 4.227 >>ASSI { 15592} >> (( segid "PROT" and resid 11 and name HG2 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 15592 weight 0.1000E+01 volume 8.29210 ppm1 2.194 ppm2 4.225 >>ASSI { 15602} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 15602 weight 0.1000E+01 volume 4.22430 ppm1 3.900 ppm2 4.681 >>ASSI { 15612} >> (( segid "PROT" and resid 10 and name HG2 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 15612 weight 0.1000E+01 volume 2.58850 ppm1 1.554 ppm2 4.673 >>ASSI { 15622} >> (( segid "PROT" and resid 10 and name HB2 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 15622 weight 0.1000E+01 volume 4.47690 ppm1 1.663 ppm2 4.680 >>ASSI { 15632} >> (( segid "PROT" and resid 10 and name HB1 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 15632 weight 0.1000E+01 volume 3.25960 ppm1 2.179 ppm2 4.680 >>ASSI { 15642} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 11 and name HB2 )) >> 6 6 0 peak 15642 weight 0.1000E+01 volume 11.53310 ppm1 3.907 ppm2 2.043 >>ASSI { 15652} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 11 and name HB2 )) >> 6 6 0 peak 15652 weight 0.1000E+01 volume 6.42610 ppm1 3.989 ppm2 2.036 >>ASSI { 15662} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 11 and name HB1 )) >> 6 6 0 peak 15662 weight 0.1000E+01 volume 4.76520 ppm1 3.904 ppm2 2.444 >>ASSI { 15672} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 11 and name HB1 )) >> 6 6 0 peak 15672 weight 0.1000E+01 volume 2.79060 ppm1 3.982 ppm2 2.452 >>ASSI { 15682} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 11 and name HB1 )) >> 6 6 0 peak 15682 weight 0.1000E+01 volume 11.06170 ppm1 4.233 ppm2 2.442 >>ASSI { 15692} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 11 and name HG1 )) >> 6 6 0 peak 15692 weight 0.1000E+01 volume 5.79130 ppm1 4.241 ppm2 2.268 >>ASSI { 15702} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 11 and name HG1 )) >> 6 6 0 peak 15702 weight 0.1000E+01 volume 9.37380 ppm1 3.991 ppm2 2.266 >>ASSI { 15712} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 11 and name HG1 )) >> 6 6 0 peak 15712 weight 0.1000E+01 volume 15.91190 ppm1 3.902 ppm2 2.275 >>ASSI { 15722} >> (( segid "PROT" and resid 11 and name HA )) >> (( segid "PROT" and resid 11 and name HG2 )) >> 6 6 0 peak 15722 weight 0.1000E+01 volume 17.17280 ppm1 4.242 ppm2 2.183 >>ASSI { 15732} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15732 weight 0.1000E+01 volume 1.62280 ppm1 3.613 ppm2 4.436 >>ASSI { 15742} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15742 weight 0.1000E+01 volume 1.68430 ppm1 3.333 ppm2 4.433 >>ASSI { 15752} >> (( segid "PROT" and resid 20 and name HB1 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15752 weight 0.1000E+01 volume 8.11630 ppm1 2.416 ppm2 4.437 >>ASSI { 15762} >> (( segid "PROT" and resid 23 and name HG1 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15762 weight 0.1000E+01 volume 3.17450 ppm1 2.321 ppm2 4.434 >>ASSI { 15772} >> (( segid "PROT" and resid 20 and name HG1 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15772 weight 0.1000E+01 volume 7.48580 ppm1 2.124 ppm2 4.433 >>ASSI { 15782} >> (( segid "PROT" and resid 23 and name HB1 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15782 weight 0.1000E+01 volume 8.43150 ppm1 2.043 ppm2 4.434 >>ASSI { 15792} >> (( segid "PROT" and resid 20 and name HG2 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15792 weight 0.1000E+01 volume 7.91500 ppm1 1.961 ppm2 4.436 >>ASSI { 15802} >> (( segid "PROT" and resid 20 and name HB2 )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 15802 weight 0.1000E+01 volume 6.08830 ppm1 1.753 ppm2 4.433 >>ASSI { 15812} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15812 weight 0.1000E+01 volume 2.27580 ppm1 3.332 ppm2 2.408 >>ASSI { 15822} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15822 weight 0.1000E+01 volume 0.92340 ppm1 3.621 ppm2 2.409 >>ASSI { 15832} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15832 weight 0.1000E+01 volume 11.27290 ppm1 4.436 ppm2 2.403 >>ASSI { 15842} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 15842 weight 0.1000E+01 volume 1.84510 ppm1 3.329 ppm2 1.752 >>ASSI { 15852} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 15852 weight 0.1000E+01 volume 1.41400 ppm1 3.623 ppm2 1.761 >>ASSI { 15862} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 15862 weight 0.1000E+01 volume 11.93390 ppm1 4.436 ppm2 1.743 >>ASSI { 15872} >> (( segid "PROT" and resid 20 and name HB2 )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15872 weight 0.1000E+01 volume 19.36270 ppm1 1.748 ppm2 2.412 >>ASSI { 15882} >> (( segid "PROT" and resid 20 and name HB1 )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 15882 weight 0.1000E+01 volume 15.17650 ppm1 2.408 ppm2 1.739 >>ASSI { 15892} >> (( segid "PROT" and resid 20 and name HG1 )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15892 weight 0.1000E+01 volume 8.85570 ppm1 2.130 ppm2 2.414 >>ASSI { 15902} >> (( segid "PROT" and resid 20 and name HG2 )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 15902 weight 0.1000E+01 volume 23.42100 ppm1 1.945 ppm2 2.414 >>ASSI { 15912} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HG2 )) >> 6 6 0 peak 15912 weight 0.1000E+01 volume 7.13800 ppm1 3.333 ppm2 1.959 >>ASSI { 15922} >> (( segid "PROT" and resid 20 and name HD1 )) >> (( segid "PROT" and resid 20 and name HG2 )) >> 6 6 0 peak 15922 weight 0.1000E+01 volume 8.33810 ppm1 3.615 ppm2 1.955 >>ASSI { 15932} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 20 and name HG2 )) >> 6 6 0 peak 15932 weight 0.1000E+01 volume 18.35270 ppm1 4.438 ppm2 1.969 >>ASSI { 15942} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 20 and name HG1 )) >> 6 6 0 peak 15942 weight 0.1000E+01 volume 8.20470 ppm1 3.333 ppm2 2.124 >>ASSI { 15952} >> (( segid "PROT" and resid 17 and name HA )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 15952 weight 0.1000E+01 volume 0.94520 ppm1 4.182 ppm2 3.610 >>ASSI { 15962} >> (( segid "PROT" and resid 20 and name HB1 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 15962 weight 0.1000E+01 volume 3.74620 ppm1 2.413 ppm2 3.328 >>ASSI { 15972} >> (( segid "PROT" and resid 20 and name HB1 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 15972 weight 0.1000E+01 volume 2.13390 ppm1 2.416 ppm2 3.623 >>ASSI { 15982} >> (( segid "PROT" and resid 20 and name HB2 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 15982 weight 0.1000E+01 volume 3.17190 ppm1 1.754 ppm2 3.334 >>ASSI { 15992} >> (( segid "PROT" and resid 20 and name HB2 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 15992 weight 0.1000E+01 volume 3.01580 ppm1 1.755 ppm2 3.609 >>ASSI { 16002} >> (( segid "PROT" and resid 20 and name HG2 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 16002 weight 0.1000E+01 volume 8.32540 ppm1 1.951 ppm2 3.321 >>ASSI { 16012} >> (( segid "PROT" and resid 20 and name HG1 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 16012 weight 0.1000E+01 volume 6.48060 ppm1 2.127 ppm2 3.329 >>ASSI { 16022} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 16022 weight 0.1000E+01 volume 5.39760 ppm1 2.218 ppm2 3.327 >>ASSI { 16032} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 16032 weight 0.1000E+01 volume 5.24990 ppm1 2.222 ppm2 3.621 >>ASSI { 16042} >> (( segid "PROT" and resid 20 and name HG1 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 16042 weight 0.1000E+01 volume 3.94890 ppm1 2.129 ppm2 3.625 >>ASSI { 16052} >> (( segid "PROT" and resid 20 and name HG2 )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 16052 weight 0.1000E+01 volume 12.49390 ppm1 1.958 ppm2 3.629 >>ASSI { 16062} >> (( segid "PROT" and resid 20 and name HD2 )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 16062 weight 0.1000E+01 volume 7.46010 ppm1 3.339 ppm2 2.189 >>ASSI { 16072} >> (( segid "PROT" and resid 30 and name HA )) >> (( segid "PROT" and resid 30 and name HB1 )) >> 6 6 0 peak 16072 weight 0.1000E+01 volume 4.80020 ppm1 5.041 ppm2 2.107 >>ASSI { 16082} >> (( segid "PROT" and resid 30 and name HD1 )) >> (( segid "PROT" and resid 30 and name HB1 )) >> 6 6 0 peak 16082 weight 0.1000E+01 volume 5.84970 ppm1 3.353 ppm2 2.110 >>ASSI { 16092} >> (( segid "PROT" and resid 33 and name HD1# )) >> (( segid "PROT" and resid 30 and name HB1 )) >> 6 6 0 peak 16092 weight 0.1000E+01 volume 1.25240 ppm1 0.966 ppm2 2.103 >>ASSI { 16102} >> (( segid "PROT" and resid 30 and name HG2 )) >> (( segid "PROT" and resid 30 and name HB1 )) >> 6 6 0 peak 16102 weight 0.1000E+01 volume 3.72920 ppm1 1.087 ppm2 2.109 >>ASSI { 16112} >> (( segid "PROT" and resid 30 and name HD1 )) >> (( segid "PROT" and resid 30 and name HG1 )) >> 6 6 0 peak 16112 weight 0.1000E+01 volume 4.54450 ppm1 3.353 ppm2 1.935 >>ASSI { 16122} >> (( segid "PROT" and resid 30 and name HD1 )) >> (( segid "PROT" and resid 30 and name HG2 )) >> 6 6 0 peak 16122 weight 0.1000E+01 volume 4.48880 ppm1 3.359 ppm2 1.101 >>ASSI { 16132} >> (( segid "PROT" and resid 30 and name HG2 )) >> (( segid "PROT" and resid 30 and name HG1 )) >> 6 6 0 peak 16132 weight 0.1000E+01 volume 4.63600 ppm1 1.090 ppm2 1.921 >>ASSI { 16142} >> (( segid "PROT" and resid 30 and name HB1 )) >> (( segid "PROT" and resid 30 and name HG1 )) >> 6 6 0 peak 16142 weight 0.1000E+01 volume 2.41350 ppm1 2.118 ppm2 1.913 >>ASSI { 16152} >> (( segid "PROT" and resid 30 and name HG1 )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 16152 weight 0.1000E+01 volume 1.11330 ppm1 1.935 ppm2 5.035 >>ASSI { 16162} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 16162 weight 0.1000E+01 volume 0.77360 ppm1 0.828 ppm2 5.034 >>ASSI { 16172} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16172 weight 0.1000E+01 volume 5.88790 ppm1 1.403 ppm2 2.752 >>ASSI { 16182} >> (( segid "PROT" and resid 74 and name HB1 )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16182 weight 0.1000E+01 volume 9.21050 ppm1 1.782 ppm2 2.752 >>ASSI { 16202} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16202 weight 0.1000E+01 volume 3.35460 ppm1 0.269 ppm2 2.754 >>ASSI { 16212} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16212 weight 0.1000E+01 volume 1.64530 ppm1 0.354 ppm2 2.758 >>ASSI { 16222} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16222 weight 0.1000E+01 volume 7.99660 ppm1 3.756 ppm2 2.760 >>ASSI { 16232} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 74 and name HD2 )) >> 6 6 0 peak 16232 weight 0.1000E+01 volume 5.61980 ppm1 4.617 ppm2 2.754 >>ASSI { 16242} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 16242 weight 0.1000E+01 volume 4.49700 ppm1 4.618 ppm2 3.752 >>ASSI { 16252} >> (( segid "PROT" and resid 115 and name HB2 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 16252 weight 0.1000E+01 volume 6.37780 ppm1 1.862 ppm2 3.511 >>ASSI { 16262} >> (( segid "PROT" and resid 74 and name HB1 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 16262 weight 0.1000E+01 volume 8.38330 ppm1 1.851 ppm2 3.759 >>ASSI { 16272} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 16272 weight 0.1000E+01 volume 2.44050 ppm1 1.409 ppm2 3.749 >>ASSI { 16282} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 16282 weight 0.1000E+01 volume 0.93320 ppm1 0.358 ppm2 3.753 >>ASSI { 16292} >> (( segid "PROT" and resid 30 and name HG2 )) >> (( segid "PROT" and resid 30 and name HD1 )) >> 6 6 0 peak 16292 weight 0.1000E+01 volume 6.45090 ppm1 1.093 ppm2 3.346 >>ASSI { 16302} >> (( segid "PROT" and resid 30 and name HG1 )) >> (( segid "PROT" and resid 30 and name HD1 )) >> 6 6 0 peak 16302 weight 0.1000E+01 volume 5.21410 ppm1 1.925 ppm2 3.342 >>ASSI { 16312} >> (( segid "PROT" and resid 30 and name HB1 )) >> (( segid "PROT" and resid 30 and name HD1 )) >> 6 6 0 peak 16312 weight 0.1000E+01 volume 4.12720 ppm1 2.118 ppm2 3.342 >>ASSI { 16322} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16322 weight 0.1000E+01 volume 4.09370 ppm1 0.828 ppm2 3.198 >>ASSI { 16332} >> (( segid "PROT" and resid 33 and name HD2# )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16332 weight 0.1000E+01 volume 6.73960 ppm1 0.824 ppm2 3.051 >>ASSI { 16342} >> (( segid "PROT" and resid 36 and name HG2 )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16342 weight 0.1000E+01 volume 5.19840 ppm1 1.331 ppm2 3.043 >>ASSI { 16352} >> (( segid "PROT" and resid 36 and name HG2 )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16352 weight 0.1000E+01 volume 7.52380 ppm1 1.326 ppm2 3.192 >>ASSI { 16362} >> (( segid "PROT" and resid 36 and name HG1 )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16362 weight 0.1000E+01 volume 13.71250 ppm1 2.162 ppm2 3.045 >>ASSI { 16372} >> (( segid "PROT" and resid 36 and name HG1 )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16372 weight 0.1000E+01 volume 10.47830 ppm1 2.163 ppm2 3.184 >>ASSI { 16382} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16382 weight 0.1000E+01 volume 11.57690 ppm1 3.926 ppm2 3.047 >>ASSI { 16392} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16392 weight 0.1000E+01 volume 7.55160 ppm1 3.929 ppm2 3.186 >>ASSI { 16402} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16402 weight 0.1000E+01 volume 3.80130 ppm1 6.609 ppm2 3.196 >>ASSI { 16412} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16412 weight 0.1000E+01 volume 2.14990 ppm1 6.609 ppm2 3.055 >>ASSI { 16422} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 16422 weight 0.1000E+01 volume 14.82330 ppm1 2.442 ppm2 4.137 >>ASSI { 16432} >> (( segid "PROT" and resid 38 and name HB1 )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 16432 weight 0.1000E+01 volume 9.90200 ppm1 2.287 ppm2 4.136 >>ASSI { 16442} >> (( segid "PROT" and resid 38 and name HB2 )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 16442 weight 0.1000E+01 volume 11.10740 ppm1 1.646 ppm2 4.138 >>ASSI { 16452} >> (( segid "PROT" and resid 56 and name HD2 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 16452 weight 0.1000E+01 volume 1.35720 ppm1 3.444 ppm2 2.433 >>ASSI { 16462} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 16462 weight 0.1000E+01 volume 9.14060 ppm1 4.129 ppm2 2.438 >>ASSI { 16472} >> (( segid "PROT" and resid 50 and name HE1 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 16472 weight 0.1000E+01 volume 6.23850 ppm1 7.399 ppm2 2.434 >>ASSI { 16482} >> (( segid "PROT" and resid 56 and name HB2 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 16482 weight 0.1000E+01 volume 36.27780 ppm1 2.142 ppm2 2.438 >>ASSI { 16492} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HB2 )) >> 6 6 0 peak 16492 weight 0.1000E+01 volume 2.62390 ppm1 0.607 ppm2 2.139 >>ASSI { 16502} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 16502 weight 0.1000E+01 volume 13.05560 ppm1 3.692 ppm2 2.136 >>ASSI { 16512} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 16512 weight 0.1000E+01 volume 10.23800 ppm1 4.126 ppm2 2.134 >>ASSI { 16522} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 16522 weight 0.1000E+01 volume 18.30460 ppm1 2.435 ppm2 2.150 >>ASSI { 16532} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 16532 weight 0.1000E+01 volume 8.16230 ppm1 2.435 ppm2 1.970 >>ASSI { 16542} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 16542 weight 0.1000E+01 volume 3.21790 ppm1 0.605 ppm2 2.128 >>ASSI { 16552} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 16552 weight 0.1000E+01 volume 7.56960 ppm1 0.612 ppm2 1.977 >>ASSI { 16562} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 16562 weight 0.1000E+01 volume 1.29370 ppm1 4.125 ppm2 3.696 >>ASSI { 16572} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 16572 weight 0.1000E+01 volume 2.82740 ppm1 2.440 ppm2 3.701 >>ASSI { 16582} >> (( segid "PROT" and resid 38 and name HD2 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16582 weight 0.1000E+01 volume 6.67710 ppm1 3.463 ppm2 4.918 >>ASSI { 16592} >> (( segid "PROT" and resid 38 and name HD1 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16592 weight 0.1000E+01 volume 10.47530 ppm1 3.692 ppm2 4.912 >>ASSI { 16602} >> (( segid "PROT" and resid 37 and name HB1 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16602 weight 0.1000E+01 volume 2.76060 ppm1 2.248 ppm2 4.922 >>ASSI { 16612} >> (( segid "PROT" and resid 58 and name HB2 )) >> (( segid "PROT" and resid 58 and name HA )) >> 6 6 0 peak 16612 weight 0.1000E+01 volume 3.26540 ppm1 2.294 ppm2 4.861 >>ASSI { 16622} >> (( segid "PROT" and resid 37 and name HG2 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16622 weight 0.1000E+01 volume 5.14380 ppm1 2.171 ppm2 4.921 >>ASSI { 16632} >> (( segid "PROT" and resid 38 and name HG1 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16632 weight 0.1000E+01 volume 2.11280 ppm1 1.955 ppm2 4.921 >>ASSI { 16642} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 16642 weight 0.1000E+01 volume 4.35230 ppm1 1.777 ppm2 4.916 >>ASSI { 16652} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 16652 weight 0.1000E+01 volume 2.38830 ppm1 3.762 ppm2 4.616 >>ASSI { 16662} >> (( segid "PROT" and resid 73 and name HB1 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 16662 weight 0.1000E+01 volume 1.91720 ppm1 2.187 ppm2 4.613 >>ASSI { 16672} >> (( segid "PROT" and resid 74 and name HG1 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 16672 weight 0.1000E+01 volume 2.45760 ppm1 1.790 ppm2 4.615 >>ASSI { 16682} >> (( segid "PROT" and resid 73 and name HB2 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 16682 weight 0.1000E+01 volume 1.93650 ppm1 1.528 ppm2 4.616 >>ASSI { 16692} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 16692 weight 0.1000E+01 volume 1.31520 ppm1 0.353 ppm2 4.615 >>ASSI { 16702} >> (( segid "PROT" and resid 32 and name HB2 )) >> (( segid "PROT" and resid 32 and name HB1 )) >> 6 6 0 peak 16702 weight 0.1000E+01 volume 9.41770 ppm1 3.664 ppm2 4.389 >>ASSI { 16712} >> (( segid "PROT" and resid 32 and name HB1 )) >> (( segid "PROT" and resid 32 and name HB2 )) >> 6 6 0 peak 16712 weight 0.1000E+01 volume 17.04300 ppm1 4.375 ppm2 3.662 >>ASSI { 16722} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 16722 weight 0.1000E+01 volume 3.50330 ppm1 0.504 ppm2 1.787 >>ASSI { 16732} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 16732 weight 0.1000E+01 volume 5.18340 ppm1 0.611 ppm2 1.784 >>ASSI { 16742} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 16742 weight 0.1000E+01 volume 9.20440 ppm1 1.404 ppm2 1.813 >>ASSI { 16752} >> (( segid "PROT" and resid 74 and name HA )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 16752 weight 0.1000E+01 volume 17.12010 ppm1 3.774 ppm2 1.781 >>ASSI { 16762} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 74 and name HG1 )) >> 6 6 0 peak 16762 weight 0.1000E+01 volume 2.64450 ppm1 4.620 ppm2 1.794 >>ASSI { 16772} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 16772 weight 0.1000E+01 volume 1.07560 ppm1 4.627 ppm2 1.410 >>ASSI { 16782} >> (( segid "PROT" and resid 74 and name HG2 )) >> (( segid "PROT" and resid 74 and name HG1 )) >> 6 6 0 peak 16782 weight 0.1000E+01 volume 14.40480 ppm1 1.408 ppm2 1.782 >>ASSI { 16792} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HG1 )) >> 6 6 0 peak 16792 weight 0.1000E+01 volume 2.72080 ppm1 0.356 ppm2 1.782 >>ASSI { 16802} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 74 and name HG1 )) >> 6 6 0 peak 16802 weight 0.1000E+01 volume 4.91690 ppm1 0.265 ppm2 1.781 >>ASSI { 16812} >> (( segid "PROT" and resid 118 and name HB1 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 16812 weight 0.1000E+01 volume 9.89130 ppm1 2.169 ppm2 4.268 >>ASSI { 16822} >> (( segid "PROT" and resid 115 and name HB2 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 16822 weight 0.1000E+01 volume 16.17580 ppm1 1.856 ppm2 4.263 >>ASSI { 16832} >> (( segid "PROT" and resid 115 and name HG1 )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 16832 weight 0.1000E+01 volume 59.42840 ppm1 2.044 ppm2 1.857 >>ASSI { 16842} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 16842 weight 0.1000E+01 volume 9.19640 ppm1 2.313 ppm2 3.617 >>ASSI { 16852} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 16852 weight 0.1000E+01 volume 5.84680 ppm1 1.581 ppm2 3.615 >>ASSI { 16862} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 16862 weight 0.1000E+01 volume 2.71840 ppm1 0.748 ppm2 3.617 >>ASSI { 16872} >> (( segid "PROT" and resid 84 and name HA )) >> (( segid "PROT" and resid 84 and name HG1 )) >> 6 6 0 peak 16872 weight 0.1000E+01 volume 2.41120 ppm1 3.650 ppm2 2.576 >>ASSI { 16882} >> (( segid "PROT" and resid 84 and name HA )) >> (( segid "PROT" and resid 84 and name HG2 )) >> 6 6 0 peak 16882 weight 0.1000E+01 volume 0.52020 ppm1 3.644 ppm2 1.822 >>ASSI { 16892} >> (( segid "PROT" and resid 84 and name HG2 )) >> (( segid "PROT" and resid 84 and name HG1 )) >> 6 6 0 peak 16892 weight 0.1000E+01 volume 5.18220 ppm1 1.833 ppm2 2.576 >>ASSI { 16902} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 84 and name HG1 )) >> 6 6 0 peak 16902 weight 0.1000E+01 volume 2.73720 ppm1 1.247 ppm2 2.576 >>ASSI { 16912} >> (( segid "PROT" and resid 46 and name HA )) >> (( segid "PROT" and resid 47 and name HD1 )) >> 6 6 0 peak 16912 weight 0.1000E+01 volume 4.77650 ppm1 4.878 ppm2 3.729 >>ASSI { 16922} >> (( segid "PROT" and resid 46 and name HA )) >> (( segid "PROT" and resid 47 and name HD2 )) >> 6 6 0 peak 16922 weight 0.1000E+01 volume 5.04890 ppm1 4.875 ppm2 3.279 >>ASSI { 16932} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 47 and name HD1 )) >> 6 6 0 peak 16932 weight 0.1000E+01 volume 9.71400 ppm1 3.277 ppm2 3.727 >>ASSI { 16942} >> (( segid "PROT" and resid 47 and name HD1 )) >> (( segid "PROT" and resid 47 and name HD2 )) >> 6 6 0 peak 16942 weight 0.1000E+01 volume 6.26980 ppm1 3.739 ppm2 3.278 >>ASSI { 16952} >> (( segid "PROT" and resid 47 and name HD1 )) >> (( segid "PROT" and resid 47 and name HG1 )) >> 6 6 0 peak 16952 weight 0.1000E+01 volume 7.39320 ppm1 3.721 ppm2 1.930 >>ASSI { 16962} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 47 and name HG1 )) >> 6 6 0 peak 16962 weight 0.1000E+01 volume 10.90380 ppm1 3.280 ppm2 1.928 >>ASSI { 16972} >> (( segid "PROT" and resid 47 and name HB1 )) >> (( segid "PROT" and resid 47 and name HG1 )) >> 6 6 0 peak 16972 weight 0.1000E+01 volume 20.93210 ppm1 2.211 ppm2 1.910 >>ASSI { 16982} >> (( segid "PROT" and resid 46 and name HA )) >> (( segid "PROT" and resid 47 and name HG1 )) >> 6 6 0 peak 16982 weight 0.1000E+01 volume 1.94800 ppm1 4.883 ppm2 1.926 >>ASSI { 16992} >> (( segid "PROT" and resid 47 and name HA )) >> (( segid "PROT" and resid 47 and name HG1 )) >> 6 6 0 peak 16992 weight 0.1000E+01 volume 1.97350 ppm1 4.062 ppm2 1.925 >>ASSI { 17002} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 17002 weight 0.1000E+01 volume 1.48170 ppm1 1.096 ppm2 3.617 >>ASSI { 17012} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 17012 weight 0.1000E+01 volume 3.91010 ppm1 1.728 ppm2 3.615 >>ASSI { 17022} >> (( segid "PROT" and resid 47 and name HA )) >> (( segid "PROT" and resid 47 and name HB1 )) >> 6 6 0 peak 17022 weight 0.1000E+01 volume 6.07040 ppm1 4.060 ppm2 2.198 >>ASSI { 17032} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 17032 weight 0.1000E+01 volume 1.05340 ppm1 3.279 ppm2 4.057 >>ASSI { 17042} >> (( segid "PROT" and resid 47 and name HD1 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 17042 weight 0.1000E+01 volume 1.70100 ppm1 3.733 ppm2 4.051 >>ASSI { 17052} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 47 and name HB1 )) >> 6 6 0 peak 17052 weight 0.1000E+01 volume 1.21460 ppm1 3.273 ppm2 2.220 >>ASSI { 17062} >> (( segid "PROT" and resid 47 and name HD2 )) >> (( segid "PROT" and resid 47 and name HB2 )) >> 6 6 0 peak 17062 weight 0.1000E+01 volume 1.23610 ppm1 3.279 ppm2 2.029 >>ASSI { 17072} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 73 and name HB1 )) >> 6 6 0 peak 17072 weight 0.1000E+01 volume 5.72490 ppm1 3.750 ppm2 2.187 >>ASSI { 17082} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 17082 weight 0.1000E+01 volume 1.52390 ppm1 6.149 ppm2 4.131 >>ASSI { 17092} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 17092 weight 0.1000E+01 volume 3.89150 ppm1 1.093 ppm2 3.775 >>ASSI { 17102} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 17102 weight 0.1000E+01 volume 3.64640 ppm1 1.738 ppm2 3.776 >>ASSI { 17112} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 17112 weight 0.1000E+01 volume 1.80510 ppm1 2.376 ppm2 3.777 >>ASSI { 17122} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17122 weight 0.1000E+01 volume 2.57710 ppm1 5.086 ppm2 1.571 >>ASSI { 17132} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17132 weight 0.1000E+01 volume 1.89500 ppm1 5.086 ppm2 1.092 >>ASSI { 17142} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17142 weight 0.1000E+01 volume 3.98000 ppm1 7.401 ppm2 1.094 >>ASSI { 17152} >> (( segid "PROT" and resid 50 and name HD1 )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17152 weight 0.1000E+01 volume 4.74140 ppm1 7.405 ppm2 1.583 >>ASSI { 17162} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17162 weight 0.1000E+01 volume 4.16480 ppm1 3.794 ppm2 1.090 >>ASSI { 17172} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17172 weight 0.1000E+01 volume 5.28190 ppm1 3.738 ppm2 1.094 >>ASSI { 17182} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17182 weight 0.1000E+01 volume 5.31370 ppm1 3.607 ppm2 1.096 >>ASSI { 17192} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17192 weight 0.1000E+01 volume 6.90500 ppm1 3.794 ppm2 1.573 >>ASSI { 17202} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17202 weight 0.1000E+01 volume 1.89620 ppm1 3.732 ppm2 1.576 >>ASSI { 17212} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17212 weight 0.1000E+01 volume 10.38410 ppm1 3.660 ppm2 1.567 >>ASSI { 17222} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17222 weight 0.1000E+01 volume 11.06060 ppm1 1.729 ppm2 1.100 >>ASSI { 17232} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17232 weight 0.1000E+01 volume 6.59890 ppm1 2.314 ppm2 1.090 >>ASSI { 17242} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 17242 weight 0.1000E+01 volume 9.82510 ppm1 2.317 ppm2 1.579 >>ASSI { 17252} >> (( segid "PROT" and resid 104 and name HB2 )) >> (( segid "PROT" and resid 104 and name HD2 )) >> 6 6 0 peak 17252 weight 0.1000E+01 volume 56.29830 ppm1 2.011 ppm2 1.640 >>ASSI { 17262} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 17262 weight 0.1000E+01 volume 5.45420 ppm1 -0.367 ppm2 1.094 >>ASSI { 17272} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 37 and name HG1 )) >> 6 6 0 peak 17272 weight 0.1000E+01 volume 4.06570 ppm1 4.922 ppm2 2.244 >>ASSI { 17282} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 37 and name HG2 )) >> 6 6 0 peak 17282 weight 0.1000E+01 volume 5.39540 ppm1 4.919 ppm2 2.129 >>ASSI { 17292} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17292 weight 0.1000E+01 volume 1.37820 ppm1 -0.367 ppm2 1.730 >>ASSI { 17302} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17302 weight 0.1000E+01 volume 1.23640 ppm1 -0.369 ppm2 2.310 >>ASSI { 17312} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17312 weight 0.1000E+01 volume 3.83360 ppm1 1.094 ppm2 2.310 >>ASSI { 17322} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17322 weight 0.1000E+01 volume 4.65300 ppm1 1.580 ppm2 2.316 >>ASSI { 17332} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17332 weight 0.1000E+01 volume 11.12780 ppm1 1.730 ppm2 2.314 >>ASSI { 17342} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17342 weight 0.1000E+01 volume 18.49560 ppm1 2.314 ppm2 1.736 >>ASSI { 17352} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17352 weight 0.1000E+01 volume 5.05100 ppm1 3.615 ppm2 1.730 >>ASSI { 17362} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17362 weight 0.1000E+01 volume 10.29990 ppm1 3.619 ppm2 2.314 >>ASSI { 17372} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17372 weight 0.1000E+01 volume 2.06170 ppm1 3.790 ppm2 1.732 >>ASSI { 17382} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17382 weight 0.1000E+01 volume 1.35260 ppm1 3.798 ppm2 2.308 >>ASSI { 17392} >> (( segid "PROT" and resid 47 and name HA )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17392 weight 0.1000E+01 volume 4.77730 ppm1 4.057 ppm2 1.731 >>ASSI { 17402} >> (( segid "PROT" and resid 47 and name HA )) >> (( segid "PROT" and resid 41 and name HB1 )) >> 6 6 0 peak 17402 weight 0.1000E+01 volume 5.26670 ppm1 4.061 ppm2 2.318 >>ASSI { 17412} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 17412 weight 0.1000E+01 volume 5.60800 ppm1 1.094 ppm2 1.722 >>ASSI { 17422} >> (( segid "PROT" and resid 34 and name HB1 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 17422 weight 0.1000E+01 volume 12.27610 ppm1 2.100 ppm2 4.354 >>ASSI { 17432} >> (( segid "PROT" and resid 34 and name HG1 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 17432 weight 0.1000E+01 volume 6.16710 ppm1 1.966 ppm2 4.359 >>ASSI { 17442} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 17442 weight 0.1000E+01 volume 17.09060 ppm1 0.607 ppm2 4.356 >>ASSI { 17452} >> (( segid "PROT" and resid 36 and name HB2 )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 17452 weight 0.1000E+01 volume 8.90570 ppm1 1.895 ppm2 3.187 >>ASSI { 17462} >> (( segid "PROT" and resid 36 and name HB2 )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 17462 weight 0.1000E+01 volume 7.50990 ppm1 1.898 ppm2 3.055 >>ASSI { 17472} >> (( segid "PROT" and resid 27 and name HG1 )) >> (( segid "PROT" and resid 27 and name HD1 )) >> 6 6 0 peak 17472 weight 0.1000E+01 volume 56.64050 ppm1 1.692 ppm2 3.172 >>ASSI { 17482} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17482 weight 0.1000E+01 volume 2.36150 ppm1 3.049 ppm2 1.325 >>ASSI { 17492} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17492 weight 0.1000E+01 volume 2.16130 ppm1 3.203 ppm2 1.317 >>ASSI { 17502} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17502 weight 0.1000E+01 volume 6.36130 ppm1 3.931 ppm2 1.313 >>ASSI { 17512} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 17512 weight 0.1000E+01 volume 0.80000 ppm1 3.053 ppm2 2.191 >>ASSI { 17522} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 17522 weight 0.1000E+01 volume 1.62010 ppm1 3.208 ppm2 2.193 >>ASSI { 17532} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17532 weight 0.1000E+01 volume 2.30670 ppm1 6.607 ppm2 1.329 >>ASSI { 17542} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 17542 weight 0.1000E+01 volume 2.32450 ppm1 6.606 ppm2 2.189 >>ASSI { 17552} >> (( segid "PROT" and resid 36 and name HG2 )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 17552 weight 0.1000E+01 volume 5.87220 ppm1 1.326 ppm2 2.173 >>ASSI { 17562} >> (( segid "PROT" and resid 36 and name HG1 )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17562 weight 0.1000E+01 volume 16.35440 ppm1 2.178 ppm2 1.332 >>ASSI { 17572} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 17572 weight 0.1000E+01 volume 2.40330 ppm1 0.236 ppm2 1.325 >>ASSI { 17582} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HB1 )) >> 6 6 0 peak 17582 weight 0.1000E+01 volume 1.13810 ppm1 6.611 ppm2 2.140 >>ASSI { 17592} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 17592 weight 0.1000E+01 volume 2.37220 ppm1 1.504 ppm2 3.886 >>ASSI { 17602} >> (( segid "PROT" and resid 64 and name HB2 )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 17602 weight 0.1000E+01 volume 5.70760 ppm1 1.937 ppm2 3.883 >>ASSI { 17612} >> (( segid "PROT" and resid 64 and name HB1 )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 17612 weight 0.1000E+01 volume 13.44640 ppm1 2.000 ppm2 3.880 >>ASSI { 17632} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17632 weight 0.1000E+01 volume 10.83470 ppm1 2.032 ppm2 3.649 >>ASSI { 17642} >> (( segid "PROT" and resid 100 and name HD1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17642 weight 0.1000E+01 volume 2.57750 ppm1 1.711 ppm2 3.644 >>ASSI { 17652} >> (( segid "PROT" and resid 97 and name HB1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17652 weight 0.1000E+01 volume 15.48820 ppm1 1.607 ppm2 3.639 >>ASSI { 17662} >> (( segid "PROT" and resid 99 and name HB1 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 17662 weight 0.1000E+01 volume 4.50190 ppm1 3.408 ppm2 3.786 >>ASSI { 17672} >> (( segid "PROT" and resid 102 and name HB1 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 17672 weight 0.1000E+01 volume 3.56590 ppm1 3.044 ppm2 3.786 >>ASSI { 17682} >> (( segid "PROT" and resid 99 and name HB2 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 17682 weight 0.1000E+01 volume 5.89420 ppm1 2.601 ppm2 3.783 >>ASSI { 17692} >> (( segid "PROT" and resid 97 and name HB2 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17692 weight 0.1000E+01 volume 4.53180 ppm1 1.337 ppm2 3.649 >>ASSI { 17702} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17702 weight 0.1000E+01 volume 9.80990 ppm1 1.012 ppm2 3.654 >>ASSI { 17712} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17712 weight 0.1000E+01 volume 4.75380 ppm1 0.688 ppm2 3.644 >>ASSI { 17722} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17722 weight 0.1000E+01 volume 1.00880 ppm1 2.923 ppm2 3.644 >>ASSI { 17732} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 17732 weight 0.1000E+01 volume 2.75120 ppm1 3.010 ppm2 3.646 >>ASSI { 17742} >> (( segid "PROT" and resid 38 and name HA )) >> (( segid "PROT" and resid 38 and name HB2 )) >> 6 6 0 peak 17742 weight 0.1000E+01 volume 7.73670 ppm1 4.138 ppm2 1.647 >>ASSI { 17752} >> (( segid "PROT" and resid 38 and name HB1 )) >> (( segid "PROT" and resid 38 and name HB2 )) >> 6 6 0 peak 17752 weight 0.1000E+01 volume 11.83520 ppm1 2.283 ppm2 1.646 >>ASSI { 17762} >> (( segid "PROT" and resid 38 and name HB2 )) >> (( segid "PROT" and resid 38 and name HG1 )) >> 6 6 0 peak 17762 weight 0.1000E+01 volume 21.90050 ppm1 1.645 ppm2 1.943 >>ASSI { 17772} >> (( segid "PROT" and resid 56 and name HA )) >> (( segid "PROT" and resid 56 and name HG2 )) >> 6 6 0 peak 17772 weight 0.1000E+01 volume 12.67570 ppm1 4.132 ppm2 1.989 >>ASSI { 17782} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 38 and name HD1 )) >> 6 6 0 peak 17782 weight 0.1000E+01 volume 3.18680 ppm1 1.781 ppm2 3.706 >>ASSI { 17792} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 38 and name HD2 )) >> 6 6 0 peak 17792 weight 0.1000E+01 volume 2.40110 ppm1 1.774 ppm2 3.466 >>ASSI { 17802} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 37 and name HB1 )) >> 6 6 0 peak 17802 weight 0.1000E+01 volume 5.85720 ppm1 4.924 ppm2 2.196 >>ASSI { 17812} >> (( segid "PROT" and resid 37 and name HA )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 17812 weight 0.1000E+01 volume 13.41060 ppm1 4.922 ppm2 1.784 >>ASSI { 17822} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 37 and name HG2 )) >> 6 6 0 peak 17822 weight 0.1000E+01 volume 31.76600 ppm1 1.778 ppm2 2.135 >>ASSI { 17832} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 37 and name HG1 )) >> 6 6 0 peak 17832 weight 0.1000E+01 volume 22.19600 ppm1 1.772 ppm2 2.256 >>ASSI { 17842} >> (( segid "PROT" and resid 38 and name HD1 )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 17842 weight 0.1000E+01 volume 2.26550 ppm1 3.691 ppm2 1.774 >>ASSI { 17852} >> (( segid "PROT" and resid 38 and name HD2 )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 17852 weight 0.1000E+01 volume 5.47430 ppm1 3.465 ppm2 1.774 >>ASSI { 17862} >> (( segid "PROT" and resid 37 and name HB2 )) >> (( segid "PROT" and resid 37 and name HB1 )) >> 6 6 0 peak 17862 weight 0.1000E+01 volume 27.24420 ppm1 1.772 ppm2 2.190 >>ASSI { 17872} >> (( segid "PROT" and resid 37 and name HB1 )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 17872 weight 0.1000E+01 volume 25.94510 ppm1 2.175 ppm2 1.764 >>ASSI { 17882} >> (( segid "PROT" and resid 38 and name HG1 )) >> (( segid "PROT" and resid 38 and name HB2 )) >> 6 6 0 peak 17882 weight 0.1000E+01 volume 12.75730 ppm1 1.953 ppm2 1.644 >>ASSI { 17892} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 17892 weight 0.1000E+01 volume 1.89420 ppm1 3.764 ppm2 1.526 >>ASSI { 17902} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 17902 weight 0.1000E+01 volume 2.45250 ppm1 4.617 ppm2 1.508 >>ASSI { 17912} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 73 and name HB1 )) >> 6 6 0 peak 17912 weight 0.1000E+01 volume 4.84880 ppm1 4.640 ppm2 2.170 >>ASSI { 17922} >> (( segid "PROT" and resid 32 and name HB2 )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 17922 weight 0.1000E+01 volume 7.95050 ppm1 3.662 ppm2 4.357 >>ASSI { 17932} >> (( segid "PROT" and resid 16 and name HB1 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 17932 weight 0.1000E+01 volume 20.32360 ppm1 2.125 ppm2 3.924 >>ASSI { 17942} >> (( segid "PROT" and resid 16 and name HG1 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 17942 weight 0.1000E+01 volume 6.63050 ppm1 2.486 ppm2 3.921 >>ASSI { 17962} >> (( segid "PROT" and resid 16 and name HA )) >> (( segid "PROT" and resid 16 and name HG2 )) >> 6 6 0 peak 17962 weight 0.1000E+01 volume 22.52520 ppm1 3.924 ppm2 2.393 >>ASSI { 17972} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 17972 weight 0.1000E+01 volume 5.79820 ppm1 4.438 ppm2 2.120 >>ASSI { 17982} >> (( segid "PROT" and resid 118 and name HA )) >> (( segid "PROT" and resid 118 and name HG1 )) >> 6 6 0 peak 17982 weight 0.1000E+01 volume 22.91060 ppm1 4.114 ppm2 2.509 >>ASSI { 17992} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 111 and name HG1 )) >> 6 6 0 peak 17992 weight 0.1000E+01 volume 2.92810 ppm1 3.642 ppm2 2.526 >>ASSI { 18002} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 111 and name HG2 )) >> 6 6 0 peak 18002 weight 0.1000E+01 volume 6.87960 ppm1 3.640 ppm2 2.429 >>ASSI { 18012} >> (( segid "PROT" and resid 28 and name HA )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 18012 weight 0.1000E+01 volume 11.48280 ppm1 4.120 ppm2 2.095 >>ASSI { 18022} >> (( segid "PROT" and resid 118 and name HG1 )) >> (( segid "PROT" and resid 118 and name HA )) >> 6 6 0 peak 18022 weight 0.1000E+01 volume 14.64350 ppm1 2.504 ppm2 4.115 >>ASSI { 18032} >> (( segid "PROT" and resid 118 and name HG1 )) >> (( segid "PROT" and resid 118 and name HB2 )) >> 6 6 0 peak 18032 weight 0.1000E+01 volume 62.44870 ppm1 2.498 ppm2 2.058 >>ASSI { 18042} >> (( segid "PROT" and resid 118 and name HG1 )) >> (( segid "PROT" and resid 118 and name HB1 )) >> 6 6 0 peak 18042 weight 0.1000E+01 volume 29.20580 ppm1 2.497 ppm2 2.148 >>ASSI { 18052} >> (( segid "PROT" and resid 118 and name HA )) >> (( segid "PROT" and resid 118 and name HB1 )) >> 6 6 0 peak 18052 weight 0.1000E+01 volume 63.81460 ppm1 4.114 ppm2 2.156 >>ASSI { 18062} >> (( segid "PROT" and resid 76 and name HG1 )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 18062 weight 0.1000E+01 volume 7.65310 ppm1 1.895 ppm2 3.882 >>ASSI { 18072} >> (( segid "PROT" and resid 76 and name HB1 )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 18072 weight 0.1000E+01 volume 6.05180 ppm1 2.222 ppm2 3.901 >>ASSI { 18082} >> (( segid "PROT" and resid 79 and name HB1 )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 18082 weight 0.1000E+01 volume 4.59970 ppm1 2.853 ppm2 3.878 >>ASSI { 18092} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 18092 weight 0.1000E+01 volume 0.88170 ppm1 7.545 ppm2 3.883 >>ASSI { 18102} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 76 and name HG1 )) >> 6 6 0 peak 18102 weight 0.1000E+01 volume 2.69660 ppm1 3.885 ppm2 1.891 >>ASSI { 18112} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 76 and name HG2 )) >> 6 6 0 peak 18112 weight 0.1000E+01 volume 1.37420 ppm1 3.881 ppm2 1.367 >>ASSI { 18122} >> (( segid "PROT" and resid 76 and name HG1 )) >> (( segid "PROT" and resid 76 and name HG2 )) >> 6 6 0 peak 18122 weight 0.1000E+01 volume 5.89910 ppm1 1.894 ppm2 1.349 >>ASSI { 18132} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 76 and name HB1 )) >> 6 6 0 peak 18132 weight 0.1000E+01 volume 3.27690 ppm1 3.884 ppm2 2.199 >>ASSI { 18142} >> (( segid "PROT" and resid 76 and name HA )) >> (( segid "PROT" and resid 76 and name HB2 )) >> 6 6 0 peak 18142 weight 0.1000E+01 volume 7.47180 ppm1 3.881 ppm2 2.038 >>ASSI { 18152} >> (( segid "PROT" and resid 70 and name HB1 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 18152 weight 0.1000E+01 volume 15.03970 ppm1 1.995 ppm2 3.985 >>ASSI { 18162} >> (( segid "PROT" and resid 70 and name HG2 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 18162 weight 0.1000E+01 volume 19.48060 ppm1 2.204 ppm2 3.975 >>ASSI { 18172} >> (( segid "PROT" and resid 70 and name HG1 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 18172 weight 0.1000E+01 volume 9.95580 ppm1 2.264 ppm2 3.978 >>ASSI { 18182} >> (( segid "PROT" and resid 110 and name HA )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 18182 weight 0.1000E+01 volume 15.23060 ppm1 4.002 ppm2 2.362 >>ASSI { 18192} >> (( segid "PROT" and resid 110 and name HA )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 18192 weight 0.1000E+01 volume 10.56080 ppm1 4.003 ppm2 2.152 >>ASSI { 18202} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 18202 weight 0.1000E+01 volume 18.70540 ppm1 2.514 ppm2 4.009 >>ASSI { 18212} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 18212 weight 0.1000E+01 volume 19.47350 ppm1 2.369 ppm2 4.005 >>ASSI { 18222} >> (( segid "PROT" and resid 110 and name HB2 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 18222 weight 0.1000E+01 volume 27.77700 ppm1 2.162 ppm2 4.002 >>ASSI { 18232} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 18232 weight 0.1000E+01 volume 22.34960 ppm1 0.720 ppm2 4.000 >>ASSI { 18242} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 18242 weight 0.1000E+01 volume 3.68780 ppm1 4.125 ppm2 2.818 >>ASSI { 18252} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 18252 weight 0.1000E+01 volume 6.35860 ppm1 4.130 ppm2 2.508 >>ASSI { 18262} >> (( segid "PROT" and resid 110 and name HB1 )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 18262 weight 0.1000E+01 volume 43.18070 ppm1 2.370 ppm2 2.515 >>ASSI { 18272} >> (( segid "PROT" and resid 110 and name HB2 )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 18272 weight 0.1000E+01 volume 22.88310 ppm1 2.167 ppm2 2.517 >>ASSI { 18282} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 18282 weight 0.1000E+01 volume 2.41110 ppm1 7.722 ppm2 2.366 >>ASSI { 18292} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 18292 weight 0.1000E+01 volume 11.20860 ppm1 2.818 ppm2 2.370 >>ASSI { 18302} >> (( segid "PROT" and resid 110 and name HG1 )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 18302 weight 0.1000E+01 volume 21.48710 ppm1 2.822 ppm2 2.165 >>ASSI { 18312} >> (( segid "PROT" and resid 110 and name HG2 )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 18312 weight 0.1000E+01 volume 18.80720 ppm1 2.521 ppm2 2.369 >>ASSI { 18322} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 18322 weight 0.1000E+01 volume 2.07810 ppm1 0.719 ppm2 2.365 >>ASSI { 18332} >> (( segid "PROT" and resid 23 and name HG1 )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 18332 weight 0.1000E+01 volume 6.05250 ppm1 2.304 ppm2 4.012 >>ASSI { 18342} >> (( segid "PROT" and resid 23 and name HG2 )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 18342 weight 0.1000E+01 volume 32.29440 ppm1 2.129 ppm2 4.005 >>ASSI { 18352} >> (( segid "PROT" and resid 74 and name HD2 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 18352 weight 0.1000E+01 volume 2.67010 ppm1 2.753 ppm2 4.613 >>ASSI { 18362} >> (( segid "PROT" and resid 75 and name HD1 )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 18362 weight 0.1000E+01 volume 0.60740 ppm1 7.470 ppm2 1.529 >>ASSI { 18372} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 18372 weight 0.1000E+01 volume 3.57450 ppm1 2.438 ppm2 1.519 >>ASSI { 18382} >> (( segid "PROT" and resid 73 and name HB2 )) >> (( segid "PROT" and resid 73 and name HB1 )) >> 6 6 0 peak 18382 weight 0.1000E+01 volume 15.81760 ppm1 1.545 ppm2 2.177 >>ASSI { 18392} >> (( segid "PROT" and resid 73 and name HA )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 18392 weight 0.1000E+01 volume 1.35290 ppm1 4.610 ppm2 2.246 >>ASSI { 18402} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 18402 weight 0.1000E+01 volume 2.30910 ppm1 3.756 ppm2 2.434 >>ASSI { 18412} >> (( segid "PROT" and resid 73 and name HG2 )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 18412 weight 0.1000E+01 volume 35.38500 ppm1 2.250 ppm2 2.437 >>ASSI { 18422} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 18422 weight 0.1000E+01 volume 15.89860 ppm1 2.436 ppm2 2.251 >>ASSI { 18432} >> (( segid "PROT" and resid 73 and name HB2 )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 18432 weight 0.1000E+01 volume 4.76360 ppm1 1.524 ppm2 2.436 >>ASSI { 18442} >> (( segid "PROT" and resid 73 and name HB2 )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 18442 weight 0.1000E+01 volume 5.65880 ppm1 1.523 ppm2 2.253 >>ASSI { 18452} >> (( segid "PROT" and resid 23 and name HA )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 18452 weight 0.1000E+01 volume 13.77800 ppm1 4.024 ppm2 2.122 >>ASSI { 18462} >> (( segid "PROT" and resid 23 and name HA )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 18462 weight 0.1000E+01 volume 9.30000 ppm1 4.021 ppm2 2.313 >>ASSI { 18472} >> (( segid "PROT" and resid 23 and name HB2 )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 18472 weight 0.1000E+01 volume 10.60880 ppm1 1.985 ppm2 2.318 >>ASSI { 18482} >> (( segid "PROT" and resid 23 and name HB2 )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 18482 weight 0.1000E+01 volume 15.57740 ppm1 1.982 ppm2 2.117 >>ASSI { 18492} >> (( segid "PROT" and resid 23 and name HA )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 18492 weight 0.1000E+01 volume 24.64220 ppm1 4.023 ppm2 1.998 >>ASSI { 18502} >> (( segid "PROT" and resid 20 and name HA )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 18502 weight 0.1000E+01 volume 10.43200 ppm1 4.440 ppm2 2.006 >>ASSI { 18512} >> (( segid "PROT" and resid 23 and name HG1 )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 18512 weight 0.1000E+01 volume 33.83010 ppm1 2.319 ppm2 2.017 >>ASSI { 18522} >> (( segid "PROT" and resid 23 and name HB2 )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 18522 weight 0.1000E+01 volume 8.44580 ppm1 1.976 ppm2 4.026 >>ASSI { 18532} >> (( segid "PROT" and resid 23 and name HB1 )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 18532 weight 0.1000E+01 volume 15.77600 ppm1 2.043 ppm2 4.027 >>ASSI { 18542} >> (( segid "PROT" and resid 107 and name HA )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 18542 weight 0.1000E+01 volume 24.40720 ppm1 4.135 ppm2 2.197 >>ASSI { 18552} >> (( segid "PROT" and resid 107 and name HG1 )) >> (( segid "PROT" and resid 107 and name HG2 )) >> 6 6 0 peak 18552 weight 0.1000E+01 volume 59.18730 ppm1 2.488 ppm2 2.199 >>ASSI { 18562} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 107 and name HG2 )) >> 6 6 0 peak 18562 weight 0.1000E+01 volume 4.83650 ppm1 4.243 ppm2 2.196 >>ASSI { 18572} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 18572 weight 0.1000E+01 volume 4.60870 ppm1 4.234 ppm2 2.492 >>ASSI { 18582} >> (( segid "PROT" and resid 117 and name HB2 )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 18582 weight 0.1000E+01 volume 38.65680 ppm1 1.977 ppm2 2.199 >>ASSI { 18592} >> (( segid "PROT" and resid 13 and name HA )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 18592 weight 0.1000E+01 volume 31.46840 ppm1 4.136 ppm2 2.399 >>ASSI { 18602} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 18602 weight 0.1000E+01 volume 8.60760 ppm1 4.244 ppm2 2.232 >>ASSI { 18612} >> (( segid "PROT" and resid 112 and name HG2 )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 18612 weight 0.1000E+01 volume 32.32680 ppm1 2.014 ppm2 2.479 >>ASSI { 18622} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 18622 weight 0.1000E+01 volume 19.92380 ppm1 2.498 ppm2 2.016 >>ASSI { 18632} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 18632 weight 0.1000E+01 volume 8.60110 ppm1 1.761 ppm2 2.016 >>ASSI { 18642} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 18642 weight 0.1000E+01 volume 4.65940 ppm1 1.763 ppm2 2.494 >>ASSI { 18652} >> (( segid "PROT" and resid 24 and name HB# )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 18652 weight 0.1000E+01 volume 7.68660 ppm1 1.418 ppm2 2.005 >>ASSI { 18662} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 18662 weight 0.1000E+01 volume 3.06530 ppm1 1.302 ppm2 2.008 >>ASSI { 18672} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 112 and name HG2 )) >> 6 6 0 peak 18672 weight 0.1000E+01 volume 5.54340 ppm1 0.870 ppm2 2.013 >>ASSI { 18682} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 18682 weight 0.1000E+01 volume 1.54780 ppm1 1.304 ppm2 2.483 >>ASSI { 18692} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 18692 weight 0.1000E+01 volume 42.77030 ppm1 2.014 ppm2 1.747 >>ASSI { 18702} >> (( segid "PROT" and resid 112 and name HG1 )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 18702 weight 0.1000E+01 volume 4.64700 ppm1 2.497 ppm2 1.772 >>ASSI { 18712} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 18712 weight 0.1000E+01 volume 38.02610 ppm1 1.763 ppm2 1.999 >>ASSI { 18722} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 18722 weight 0.1000E+01 volume 7.48700 ppm1 1.303 ppm2 2.011 >>ASSI { 18732} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 18732 weight 0.1000E+01 volume 4.72970 ppm1 1.306 ppm2 1.772 >>ASSI { 18742} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 112 and name HA )) >> 6 6 0 peak 18742 weight 0.1000E+01 volume 15.94810 ppm1 1.762 ppm2 4.116 >>ASSI { 18752} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 18752 weight 0.1000E+01 volume 17.33710 ppm1 1.995 ppm2 3.687 >>ASSI { 18762} >> (( segid "PROT" and resid 84 and name HB1 )) >> (( segid "PROT" and resid 84 and name HB2 )) >> 6 6 0 peak 18762 weight 0.1000E+01 volume 5.78850 ppm1 2.208 ppm2 1.216 >>ASSI { 18772} >> (( segid "PROT" and resid 84 and name HB2 )) >> (( segid "PROT" and resid 84 and name HB1 )) >> 6 6 0 peak 18772 weight 0.1000E+01 volume 5.95820 ppm1 1.228 ppm2 2.201 >>ASSI { 18782} >> (( segid "PROT" and resid 84 and name HA )) >> (( segid "PROT" and resid 84 and name HB2 )) >> 6 6 0 peak 18782 weight 0.1000E+01 volume 2.53630 ppm1 3.649 ppm2 1.219 >>ASSI { 18792} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 63 and name HG1 )) >> 6 6 0 peak 18792 weight 0.1000E+01 volume 3.79060 ppm1 3.695 ppm2 1.461 >>ASSI { 18802} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 63 and name HG2 )) >> 6 6 0 peak 18802 weight 0.1000E+01 volume 9.99310 ppm1 3.692 ppm2 1.177 >>ASSI { 18812} >> (( segid "PROT" and resid 28 and name HB2 )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 18812 weight 0.1000E+01 volume 21.93440 ppm1 2.061 ppm2 4.126 >>ASSI { 18822} >> (( segid "PROT" and resid 28 and name HB1 )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 18822 weight 0.1000E+01 volume 13.91690 ppm1 2.121 ppm2 4.128 >>ASSI { 18832} >> (( segid "PROT" and resid 15 and name HA )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 18832 weight 0.1000E+01 volume 15.69210 ppm1 3.666 ppm2 1.858 >>ASSI { 18842} >> (( segid "PROT" and resid 97 and name HA )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 18842 weight 0.1000E+01 volume 17.56810 ppm1 3.647 ppm2 1.335 >>ASSI { 18852} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 18852 weight 0.1000E+01 volume 1.01650 ppm1 0.345 ppm2 3.662 >>ASSI { 18862} >> (( segid "PROT" and resid 15 and name HB1 )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 18862 weight 0.1000E+01 volume 39.79490 ppm1 1.860 ppm2 3.665 >>ASSI { 18872} >> (( segid "PROT" and resid 63 and name HG1 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 18872 weight 0.1000E+01 volume 13.38910 ppm1 1.459 ppm2 3.687 >>ASSI { 18882} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 18882 weight 0.1000E+01 volume 9.12490 ppm1 3.280 ppm2 1.857 >>ASSI { 18892} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 15 and name HG2 )) >> 6 6 0 peak 18892 weight 0.1000E+01 volume 20.24720 ppm1 3.280 ppm2 1.461 >>ASSI { 18902} >> (( segid "PROT" and resid 15 and name HD1 )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 18902 weight 0.1000E+01 volume 17.89480 ppm1 3.280 ppm2 1.543 >>ASSI { 18912} >> (( segid "PROT" and resid 15 and name HA )) >> (( segid "PROT" and resid 15 and name HG2 )) >> 6 6 0 peak 18912 weight 0.1000E+01 volume 18.91130 ppm1 3.664 ppm2 1.460 >>ASSI { 18922} >> (( segid "PROT" and resid 15 and name HA )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 18922 weight 0.1000E+01 volume 10.01960 ppm1 3.664 ppm2 1.546 >>ASSI { 18932} >> (( segid "PROT" and resid 15 and name HB1 )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 18932 weight 0.1000E+01 volume 40.77670 ppm1 1.860 ppm2 1.550 >>ASSI { 18942} >> (( segid "PROT" and resid 15 and name HB1 )) >> (( segid "PROT" and resid 15 and name HG2 )) >> 6 6 0 peak 18942 weight 0.1000E+01 volume 16.76290 ppm1 1.863 ppm2 1.460 >>ASSI { 18952} >> (( segid "PROT" and resid 12 and name HA )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 18952 weight 0.1000E+01 volume 9.02350 ppm1 4.158 ppm2 3.264 >>ASSI { 18962} >> (( segid "PROT" and resid 15 and name HB1 )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 18962 weight 0.1000E+01 volume 45.11490 ppm1 1.859 ppm2 3.276 >>ASSI { 18972} >> (( segid "PROT" and resid 15 and name HG1 )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 18972 weight 0.1000E+01 volume 22.75140 ppm1 1.545 ppm2 3.274 >>ASSI { 18982} >> (( segid "PROT" and resid 15 and name HG2 )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 18982 weight 0.1000E+01 volume 15.40510 ppm1 1.457 ppm2 3.275 >>ASSI { 18992} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 18992 weight 0.1000E+01 volume 7.13050 ppm1 7.313 ppm2 3.011 >>ASSI { 19002} >> (( segid "PROT" and resid 101 and name HZ )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19002 weight 0.1000E+01 volume 15.12720 ppm1 7.152 ppm2 3.011 >>ASSI { 19012} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19012 weight 0.1000E+01 volume 6.11210 ppm1 7.104 ppm2 3.011 >>ASSI { 19022} >> (( segid "PROT" and resid 15 and name HG2 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 19022 weight 0.1000E+01 volume 18.91580 ppm1 1.454 ppm2 0.740 >>ASSI { 19032} >> (( segid "PROT" and resid 27 and name HG1 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 19032 weight 0.1000E+01 volume 24.34940 ppm1 1.694 ppm2 4.007 >>ASSI { 19042} >> (( segid "PROT" and resid 27 and name HB2 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 19042 weight 0.1000E+01 volume 28.18120 ppm1 1.813 ppm2 4.013 >>ASSI { 19052} >> (( segid "PROT" and resid 27 and name HB1 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 19052 weight 0.1000E+01 volume 17.27930 ppm1 1.890 ppm2 4.015 >>ASSI { 19062} >> (( segid "PROT" and resid 27 and name HA )) >> (( segid "PROT" and resid 27 and name HB2 )) >> 6 6 0 peak 19062 weight 0.1000E+01 volume 16.71460 ppm1 4.016 ppm2 1.832 >>ASSI { 19072} >> (( segid "PROT" and resid 27 and name HD2 )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 19072 weight 0.1000E+01 volume 37.19580 ppm1 3.122 ppm2 1.687 >>ASSI { 19082} >> (( segid "PROT" and resid 27 and name HD1 )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 19082 weight 0.1000E+01 volume 30.21230 ppm1 3.188 ppm2 1.689 >>ASSI { 19092} >> (( segid "PROT" and resid 27 and name HA )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 19092 weight 0.1000E+01 volume 19.11000 ppm1 4.014 ppm2 1.687 >>ASSI { 19102} >> (( segid "PROT" and resid 27 and name HB1 )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 19102 weight 0.1000E+01 volume 48.96980 ppm1 1.891 ppm2 1.697 >>ASSI { 19112} >> (( segid "PROT" and resid 27 and name HB1 )) >> (( segid "PROT" and resid 27 and name HD1 )) >> 6 6 0 peak 19112 weight 0.1000E+01 volume 18.92860 ppm1 1.896 ppm2 3.174 >>ASSI { 19122} >> (( segid "PROT" and resid 27 and name HA )) >> (( segid "PROT" and resid 27 and name HD1 )) >> 6 6 0 peak 19122 weight 0.1000E+01 volume 5.75110 ppm1 4.012 ppm2 3.174 >>ASSI { 19132} >> (( segid "PROT" and resid 93 and name HD1 )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 19132 weight 0.1000E+01 volume 23.95520 ppm1 3.164 ppm2 4.307 >>ASSI { 19142} >> (( segid "PROT" and resid 5 and name HA )) >> (( segid "PROT" and resid 5 and name HB1 )) >> 6 6 0 peak 19142 weight 0.1000E+01 volume 17.52070 ppm1 4.328 ppm2 1.841 >>ASSI { 19152} >> (( segid "PROT" and resid 5 and name HA )) >> (( segid "PROT" and resid 5 and name HB2 )) >> 6 6 0 peak 19152 weight 0.1000E+01 volume 2.66380 ppm1 4.329 ppm2 1.746 >>ASSI { 19162} >> (( segid "PROT" and resid 5 and name HB1 )) >> (( segid "PROT" and resid 5 and name HG1 )) >> 6 6 0 peak 19162 weight 0.1000E+01 volume 61.73300 ppm1 1.831 ppm2 1.610 >>ASSI { 19172} >> (( segid "PROT" and resid 5 and name HB2 )) >> (( segid "PROT" and resid 5 and name HG1 )) >> 6 6 0 peak 19172 weight 0.1000E+01 volume 180.54860 ppm1 1.750 ppm2 1.603 >>ASSI { 19182} >> (( segid "PROT" and resid 5 and name HD1 )) >> (( segid "PROT" and resid 5 and name HG1 )) >> 6 6 0 peak 19182 weight 0.1000E+01 volume 38.67830 ppm1 3.151 ppm2 1.595 >>ASSI { 19192} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 19192 weight 0.1000E+01 volume 12.84340 ppm1 3.013 ppm2 1.604 >>ASSI { 19202} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 19202 weight 0.1000E+01 volume 16.53150 ppm1 3.009 ppm2 1.340 >>ASSI { 19212} >> (( segid "PROT" and resid 97 and name HB2 )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 19212 weight 0.1000E+01 volume 32.02810 ppm1 1.333 ppm2 1.601 >>ASSI { 19222} >> (( segid "PROT" and resid 97 and name HB1 )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 19222 weight 0.1000E+01 volume 52.92210 ppm1 1.601 ppm2 1.337 >>ASSI { 19232} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 19232 weight 0.1000E+01 volume 10.20630 ppm1 1.016 ppm2 1.601 >>ASSI { 19242} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 19242 weight 0.1000E+01 volume 11.80110 ppm1 1.019 ppm2 1.337 >>ASSI { 19252} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 19252 weight 0.1000E+01 volume 9.21680 ppm1 0.684 ppm2 1.606 >>ASSI { 19262} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 19262 weight 0.1000E+01 volume 8.69080 ppm1 0.687 ppm2 1.333 >>ASSI { 19272} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19272 weight 0.1000E+01 volume 20.79910 ppm1 0.686 ppm2 3.008 >>ASSI { 19282} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19282 weight 0.1000E+01 volume 22.34870 ppm1 1.018 ppm2 3.008 >>ASSI { 19292} >> (( segid "PROT" and resid 97 and name HB2 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19292 weight 0.1000E+01 volume 21.50680 ppm1 1.337 ppm2 3.009 >>ASSI { 19302} >> (( segid "PROT" and resid 97 and name HB1 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19302 weight 0.1000E+01 volume 15.71710 ppm1 1.607 ppm2 3.013 >>ASSI { 19312} >> (( segid "PROT" and resid 97 and name HA )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19312 weight 0.1000E+01 volume 9.60590 ppm1 3.651 ppm2 3.003 >>ASSI { 19322} >> (( segid "PROT" and resid 97 and name HD1 )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 19322 weight 0.1000E+01 volume 19.99280 ppm1 3.010 ppm2 0.686 >>ASSI { 19332} >> (( segid "PROT" and resid 97 and name HA )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 19332 weight 0.1000E+01 volume 5.59620 ppm1 3.648 ppm2 0.686 >>ASSI { 19342} >> (( segid "PROT" and resid 97 and name HB2 )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 19342 weight 0.1000E+01 volume 16.31510 ppm1 1.339 ppm2 0.680 >>ASSI { 19352} >> (( segid "PROT" and resid 97 and name HB1 )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 19352 weight 0.1000E+01 volume 13.64330 ppm1 1.605 ppm2 0.675 >>ASSI { 19362} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 19362 weight 0.1000E+01 volume 19.26930 ppm1 1.015 ppm2 0.683 >>ASSI { 19372} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 19372 weight 0.1000E+01 volume 27.96120 ppm1 4.320 ppm2 2.030 >>ASSI { 19382} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 19382 weight 0.1000E+01 volume 28.29160 ppm1 2.032 ppm2 1.634 >>ASSI { 19392} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 100 and name HD1 )) >> 6 6 0 peak 19392 weight 0.1000E+01 volume 9.50660 ppm1 2.927 ppm2 1.725 >>ASSI { 19402} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 100 and name HD2 )) >> 6 6 0 peak 19402 weight 0.1000E+01 volume 16.69320 ppm1 2.927 ppm2 1.646 >>ASSI { 19412} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HD1 )) >> 6 6 0 peak 19412 weight 0.1000E+01 volume 4.59180 ppm1 4.321 ppm2 1.703 >>ASSI { 19422} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HE1 )) >> 6 6 0 peak 19422 weight 0.1000E+01 volume 12.13940 ppm1 4.267 ppm2 2.920 >>ASSI { 19432} >> (( segid "PROT" and resid 97 and name HG1 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19432 weight 0.1000E+01 volume 19.60730 ppm1 1.707 ppm2 2.924 >>ASSI { 19442} >> (( segid "PROT" and resid 104 and name HB1 )) >> (( segid "PROT" and resid 104 and name HE1 )) >> 6 6 0 peak 19442 weight 0.1000E+01 volume 33.52820 ppm1 1.996 ppm2 2.802 >>ASSI { 19452} >> (( segid "PROT" and resid 97 and name HG2 )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 19452 weight 0.1000E+01 volume 74.97550 ppm1 1.626 ppm2 2.921 >>ASSI { 19462} >> (( segid "PROT" and resid 99 and name HE1 )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 19462 weight 0.1000E+01 volume 1.88170 ppm1 7.025 ppm2 2.889 >>ASSI { 19472} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 19472 weight 0.1000E+01 volume 6.10850 ppm1 7.129 ppm2 2.890 >>ASSI { 19482} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 100 and name HE1 )) >> 6 6 0 peak 19482 weight 0.1000E+01 volume 5.81870 ppm1 7.332 ppm2 2.900 >>ASSI { 19492} >> (( segid "PROT" and resid 65 and name HD1 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 19492 weight 0.1000E+01 volume 1.99550 ppm1 1.549 ppm2 3.409 >>ASSI { 19502} >> (( segid "PROT" and resid 65 and name HB1 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 19502 weight 0.1000E+01 volume 16.58270 ppm1 1.973 ppm2 3.411 >>ASSI { 19512} >> (( segid "PROT" and resid 65 and name HG1 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 19512 weight 0.1000E+01 volume 8.20010 ppm1 1.863 ppm2 3.418 >>ASSI { 19522} >> (( segid "PROT" and resid 70 and name HG2 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 19522 weight 0.1000E+01 volume 5.06380 ppm1 2.210 ppm2 3.412 >>ASSI { 19532} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 19532 weight 0.1000E+01 volume 4.60140 ppm1 3.413 ppm2 1.993 >>ASSI { 19542} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 19542 weight 0.1000E+01 volume 4.71440 ppm1 3.415 ppm2 1.077 >>ASSI { 19552} >> (( segid "PROT" and resid 70 and name HA )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 19552 weight 0.1000E+01 volume 4.11810 ppm1 3.984 ppm2 1.093 >>ASSI { 19562} >> (( segid "PROT" and resid 70 and name HA )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 19562 weight 0.1000E+01 volume 38.04040 ppm1 3.989 ppm2 2.007 >>ASSI { 19572} >> (( segid "PROT" and resid 70 and name HB1 )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 19572 weight 0.1000E+01 volume 8.45660 ppm1 1.988 ppm2 1.085 >>ASSI { 19582} >> (( segid "PROT" and resid 70 and name HG2 )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 19582 weight 0.1000E+01 volume 5.21710 ppm1 2.208 ppm2 1.081 >>ASSI { 19592} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 65 and name HG1 )) >> 6 6 0 peak 19592 weight 0.1000E+01 volume 2.70530 ppm1 3.411 ppm2 1.863 >>ASSI { 19602} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 19602 weight 0.1000E+01 volume 6.50890 ppm1 2.958 ppm2 0.746 >>ASSI { 19612} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 65 and name HG1 )) >> 6 6 0 peak 19612 weight 0.1000E+01 volume 3.03160 ppm1 0.746 ppm2 1.861 >>ASSI { 19622} >> (( segid "PROT" and resid 70 and name HB2 )) >> (( segid "PROT" and resid 65 and name HG1 )) >> 6 6 0 peak 19622 weight 0.1000E+01 volume 3.27500 ppm1 1.132 ppm2 1.858 >>ASSI { 19632} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 65 and name HB2 )) >> 6 6 0 peak 19632 weight 0.1000E+01 volume 2.04820 ppm1 3.407 ppm2 0.565 >>ASSI { 19642} >> (( segid "PROT" and resid 65 and name HB1 )) >> (( segid "PROT" and resid 65 and name HB2 )) >> 6 6 0 peak 19642 weight 0.1000E+01 volume 8.00290 ppm1 1.964 ppm2 0.575 >>ASSI { 19652} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 19652 weight 0.1000E+01 volume 16.14130 ppm1 3.414 ppm2 2.246 >>ASSI { 19662} >> (( segid "PROT" and resid 70 and name HB1 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 19662 weight 0.1000E+01 volume 19.68940 ppm1 1.994 ppm2 2.234 >>ASSI { 19672} >> (( segid "PROT" and resid 70 and name HB2 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 19672 weight 0.1000E+01 volume 27.45310 ppm1 1.088 ppm2 2.231 >>ASSI { 19682} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 19682 weight 0.1000E+01 volume 6.20560 ppm1 0.737 ppm2 2.244 >>ASSI { 19692} >> (( segid "PROT" and resid 70 and name HA )) >> (( segid "PROT" and resid 70 and name HG2 )) >> 6 6 0 peak 19692 weight 0.1000E+01 volume 20.88980 ppm1 3.985 ppm2 2.210 >>ASSI { 19702} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 19702 weight 0.1000E+01 volume 20.26260 ppm1 4.242 ppm2 2.023 >>ASSI { 19712} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 19712 weight 0.1000E+01 volume 3.44200 ppm1 4.498 ppm2 2.035 >>ASSI { 19722} >> (( segid "PROT" and resid 104 and name HG2 )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 19722 weight 0.1000E+01 volume 19.09130 ppm1 1.240 ppm2 2.030 >>ASSI { 19732} >> (( segid "PROT" and resid 104 and name HG1 )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 19732 weight 0.1000E+01 volume 14.41510 ppm1 1.478 ppm2 2.039 >>ASSI { 19742} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 34 and name HB2 )) >> 6 6 0 peak 19742 weight 0.1000E+01 volume 10.28520 ppm1 4.357 ppm2 0.603 >>ASSI { 19752} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 34 and name HB1 )) >> 6 6 0 peak 19752 weight 0.1000E+01 volume 4.94240 ppm1 4.357 ppm2 2.101 >>ASSI { 19762} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 34 and name HB2 )) >> 6 6 0 peak 19762 weight 0.1000E+01 volume 1.70600 ppm1 3.837 ppm2 0.613 >>ASSI { 19772} >> (( segid "PROT" and resid 34 and name HG2 )) >> (( segid "PROT" and resid 34 and name HB2 )) >> 6 6 0 peak 19772 weight 0.1000E+01 volume 2.48510 ppm1 1.788 ppm2 0.590 >>ASSI { 19782} >> (( segid "PROT" and resid 34 and name HG1 )) >> (( segid "PROT" and resid 34 and name HB2 )) >> 6 6 0 peak 19782 weight 0.1000E+01 volume 4.28960 ppm1 1.965 ppm2 0.603 >>ASSI { 19792} >> (( segid "PROT" and resid 34 and name HB1 )) >> (( segid "PROT" and resid 34 and name HB2 )) >> 6 6 0 peak 19792 weight 0.1000E+01 volume 9.43860 ppm1 2.097 ppm2 0.610 >>ASSI { 19802} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 34 and name HB1 )) >> 6 6 0 peak 19802 weight 0.1000E+01 volume 10.22790 ppm1 0.605 ppm2 2.101 >>ASSI { 19812} >> (( segid "PROT" and resid 19 and name HB1 )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 19812 weight 0.1000E+01 volume 3.08670 ppm1 2.212 ppm2 3.666 >>ASSI { 19822} >> (( segid "PROT" and resid 28 and name HG2 )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 19822 weight 0.1000E+01 volume 21.15060 ppm1 2.042 ppm2 2.800 >>ASSI { 19832} >> (( segid "PROT" and resid 57 and name HE# )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 19832 weight 0.1000E+01 volume 5.25720 ppm1 1.989 ppm2 2.992 >>ASSI { 19842} >> (( segid "PROT" and resid 57 and name HB1 )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 19842 weight 0.1000E+01 volume 2.66970 ppm1 2.178 ppm2 2.994 >>ASSI { 19852} >> (( segid "PROT" and resid 57 and name HB2 )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 19852 weight 0.1000E+01 volume 3.20840 ppm1 1.253 ppm2 2.995 >>ASSI { 19862} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 19862 weight 0.1000E+01 volume 1.59590 ppm1 0.892 ppm2 3.011 >>ASSI { 19872} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19872 weight 0.1000E+01 volume 1.84360 ppm1 0.885 ppm2 2.586 >>ASSI { 19882} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19882 weight 0.1000E+01 volume 3.63690 ppm1 0.886 ppm2 2.511 >>ASSI { 19892} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19892 weight 0.1000E+01 volume 7.80890 ppm1 0.725 ppm2 2.511 >>ASSI { 19902} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19902 weight 0.1000E+01 volume 3.88130 ppm1 0.728 ppm2 2.590 >>ASSI { 19912} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19912 weight 0.1000E+01 volume 2.90680 ppm1 1.113 ppm2 2.588 >>ASSI { 19922} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19922 weight 0.1000E+01 volume 7.71720 ppm1 1.113 ppm2 2.515 >>ASSI { 19932} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19932 weight 0.1000E+01 volume 1.88010 ppm1 1.217 ppm2 2.513 >>ASSI { 19942} >> (( segid "PROT" and resid 113 and name HG11 )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19942 weight 0.1000E+01 volume 2.01510 ppm1 1.218 ppm2 2.592 >>ASSI { 19952} >> (( segid "PROT" and resid 117 and name HE# )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19952 weight 0.1000E+01 volume 4.23830 ppm1 1.466 ppm2 2.509 >>ASSI { 19962} >> (( segid "PROT" and resid 117 and name HE# )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19962 weight 0.1000E+01 volume 3.11460 ppm1 1.466 ppm2 2.594 >>ASSI { 19972} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 19972 weight 0.1000E+01 volume 2.15370 ppm1 4.309 ppm2 2.515 >>ASSI { 19982} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 19982 weight 0.1000E+01 volume 2.49440 ppm1 4.307 ppm2 2.602 >>ASSI { 19992} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 19992 weight 0.1000E+01 volume 3.51300 ppm1 0.235 ppm2 3.831 >>ASSI { 20002} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20002 weight 0.1000E+01 volume 11.50100 ppm1 0.346 ppm2 3.831 >>ASSI { 20012} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20012 weight 0.1000E+01 volume 10.71720 ppm1 0.581 ppm2 3.831 >>ASSI { 20022} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20022 weight 0.1000E+01 volume 6.66280 ppm1 1.098 ppm2 3.834 >>ASSI { 20032} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20032 weight 0.1000E+01 volume 1.76370 ppm1 1.550 ppm2 3.844 >>ASSI { 20042} >> (( segid "PROT" and resid 59 and name HB1 )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20042 weight 0.1000E+01 volume 6.61690 ppm1 1.703 ppm2 3.836 >>ASSI { 20052} >> (( segid "PROT" and resid 59 and name HB2 )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 20052 weight 0.1000E+01 volume 5.02290 ppm1 1.351 ppm2 3.855 >>ASSI { 20062} >> (( segid "PROT" and resid 12 and name HB1 )) >> (( segid "PROT" and resid 12 and name HA )) >> 6 6 0 peak 20062 weight 0.1000E+01 volume 35.55720 ppm1 2.010 ppm2 4.148 >>ASSI { 20072} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 20072 weight 0.1000E+01 volume 4.23910 ppm1 7.328 ppm2 2.350 >>ASSI { 20082} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 20082 weight 0.1000E+01 volume 134.18800 ppm1 2.199 ppm2 2.340 >>ASSI { 20092} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 28 and name HG2 )) >> 6 6 0 peak 20092 weight 0.1000E+01 volume 2.67780 ppm1 0.961 ppm2 2.034 >>ASSI { 20102} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HD2 )) >> 6 6 0 peak 20102 weight 0.1000E+01 volume 15.96820 ppm1 2.828 ppm2 1.629 >>ASSI { 20112} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 20112 weight 0.1000E+01 volume 17.47490 ppm1 2.828 ppm2 1.799 >>ASSI { 20122} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 20122 weight 0.1000E+01 volume 8.71440 ppm1 2.809 ppm2 4.113 >>ASSI { 20132} >> (( segid "PROT" and resid 72 and name HB1 )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 20132 weight 0.1000E+01 volume 111.20710 ppm1 2.259 ppm2 2.427 >>ASSI { 20142} >> (( segid "PROT" and resid 72 and name HB2 )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 20142 weight 0.1000E+01 volume 43.31850 ppm1 2.126 ppm2 2.432 >>ASSI { 20152} >> (( segid "PROT" and resid 68 and name HB )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 20152 weight 0.1000E+01 volume 3.81010 ppm1 4.515 ppm2 2.247 >>ASSI { 20162} >> (( segid "PROT" and resid 42 and name HA )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 20162 weight 0.1000E+01 volume 19.08650 ppm1 4.017 ppm2 2.361 >>ASSI { 20172} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 20172 weight 0.1000E+01 volume 4.52310 ppm1 0.561 ppm2 2.240 >>ASSI { 20182} >> (( segid "PROT" and resid 70 and name HB2 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 20182 weight 0.1000E+01 volume 19.77020 ppm1 1.082 ppm2 3.982 >>ASSI { 20192} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 20192 weight 0.1000E+01 volume 1.99250 ppm1 3.410 ppm2 3.988 >>ASSI { 20202} >> (( segid "PROT" and resid 42 and name HG1 )) >> (( segid "PROT" and resid 42 and name HA )) >> 6 6 0 peak 20202 weight 0.1000E+01 volume 10.95790 ppm1 2.356 ppm2 4.025 >>ASSI { 20212} >> (( segid "PROT" and resid 42 and name HB1 )) >> (( segid "PROT" and resid 42 and name HA )) >> 6 6 0 peak 20212 weight 0.1000E+01 volume 25.72450 ppm1 2.112 ppm2 4.022 >>ASSI { 20222} >> (( segid "PROT" and resid 42 and name HB1 )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 20222 weight 0.1000E+01 volume 103.84960 ppm1 2.110 ppm2 2.363 >>ASSI { 20232} >> (( segid "PROT" and resid 42 and name HA )) >> (( segid "PROT" and resid 42 and name HB1 )) >> 6 6 0 peak 20232 weight 0.1000E+01 volume 31.75430 ppm1 4.017 ppm2 2.110 >>ASSI { 20242} >> (( segid "PROT" and resid 42 and name HG1 )) >> (( segid "PROT" and resid 42 and name HB1 )) >> 6 6 0 peak 20242 weight 0.1000E+01 volume 39.78620 ppm1 2.353 ppm2 2.108 >>ASSI { 20252} >> (( segid "PROT" and resid 28 and name HG1 )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 20252 weight 0.1000E+01 volume 9.97690 ppm1 2.800 ppm2 2.094 >>ASSI { 20262} >> (( segid "PROT" and resid 105 and name HG )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 20262 weight 0.1000E+01 volume 2.86560 ppm1 1.644 ppm2 2.099 >>ASSI { 20272} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 20272 weight 0.1000E+01 volume 7.68450 ppm1 0.564 ppm2 2.088 >>ASSI { 20282} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 20282 weight 0.1000E+01 volume 2.46940 ppm1 0.393 ppm2 2.099 >>ASSI { 20292} >> (( segid "PROT" and resid 23 and name HG1 )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 20292 weight 0.1000E+01 volume 40.81340 ppm1 2.310 ppm2 2.113 >>ASSI { 20302} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 20302 weight 0.1000E+01 volume 33.45970 ppm1 4.112 ppm2 2.184 >>ASSI { 20312} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 20312 weight 0.1000E+01 volume 12.27780 ppm1 4.114 ppm2 2.268 >>ASSI { 20322} >> (( segid "PROT" and resid 111 and name HG1 )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 20322 weight 0.1000E+01 volume 21.40060 ppm1 2.521 ppm2 2.178 >>ASSI { 20332} >> (( segid "PROT" and resid 111 and name HG2 )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 20332 weight 0.1000E+01 volume 31.34030 ppm1 2.429 ppm2 2.173 >>ASSI { 20342} >> (( segid "PROT" and resid 111 and name HG2 )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 20342 weight 0.1000E+01 volume 34.56130 ppm1 2.435 ppm2 2.277 >>ASSI { 20352} >> (( segid "PROT" and resid 111 and name HG1 )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 20352 weight 0.1000E+01 volume 16.26040 ppm1 2.526 ppm2 2.270 >>ASSI { 20362} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 20362 weight 0.1000E+01 volume 6.24320 ppm1 4.267 ppm2 2.402 >>ASSI { 20372} >> (( segid "PROT" and resid 115 and name HA )) >> (( segid "PROT" and resid 118 and name HG1 )) >> 6 6 0 peak 20372 weight 0.1000E+01 volume 5.22500 ppm1 4.266 ppm2 2.504 >>ASSI { 20382} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 111 and name HG1 )) >> 6 6 0 peak 20382 weight 0.1000E+01 volume 12.21940 ppm1 4.113 ppm2 2.500 >>ASSI { 20392} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 111 and name HG2 )) >> 6 6 0 peak 20392 weight 0.1000E+01 volume 16.30980 ppm1 4.111 ppm2 2.416 >>ASSI { 20402} >> (( segid "PROT" and resid 111 and name HB2 )) >> (( segid "PROT" and resid 111 and name HG1 )) >> 6 6 0 peak 20402 weight 0.1000E+01 volume 35.56980 ppm1 2.163 ppm2 2.501 >>ASSI { 20412} >> (( segid "PROT" and resid 111 and name HB1 )) >> (( segid "PROT" and resid 111 and name HG2 )) >> 6 6 0 peak 20412 weight 0.1000E+01 volume 23.75150 ppm1 2.281 ppm2 2.433 >>ASSI { 20422} >> (( segid "PROT" and resid 57 and name HB2 )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 20422 weight 0.1000E+01 volume 23.54430 ppm1 1.242 ppm2 1.988 >>ASSI { 20432} >> (( segid "PROT" and resid 57 and name HB1 )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 20432 weight 0.1000E+01 volume 20.48710 ppm1 2.171 ppm2 1.980 >>ASSI { 20442} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 20442 weight 0.1000E+01 volume 1.69410 ppm1 0.344 ppm2 2.993 >>ASSI { 20452} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 57 and name HB2 )) >> 6 6 0 peak 20452 weight 0.1000E+01 volume 0.90870 ppm1 0.889 ppm2 1.250 >>ASSI { 20462} >> (( segid "PROT" and resid 7 and name HG2 )) >> (( segid "PROT" and resid 7 and name HA )) >> 6 6 0 peak 20462 weight 0.1000E+01 volume 19.01050 ppm1 0.967 ppm2 4.236 >>ASSI { 20472} >> (( segid "PROT" and resid 7 and name HG1 )) >> (( segid "PROT" and resid 7 and name HA )) >> 6 6 0 peak 20472 weight 0.1000E+01 volume 10.59990 ppm1 1.098 ppm2 4.239 >>ASSI { 20482} >> (( segid "PROT" and resid 84 and name HB1 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20482 weight 0.1000E+01 volume 10.59760 ppm1 2.208 ppm2 1.221 >>ASSI { 20492} >> (( segid "PROT" and resid 81 and name HA )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20492 weight 0.1000E+01 volume 9.28400 ppm1 2.480 ppm2 1.222 >>ASSI { 20502} >> (( segid "PROT" and resid 84 and name HG2 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20502 weight 0.1000E+01 volume 12.26600 ppm1 1.836 ppm2 1.223 >>ASSI { 20512} >> (( segid "PROT" and resid 59 and name HG )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20512 weight 0.1000E+01 volume 6.47640 ppm1 1.552 ppm2 1.224 >>ASSI { 20522} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20522 weight 0.1000E+01 volume 2.10330 ppm1 0.895 ppm2 1.221 >>ASSI { 20532} >> (( segid "PROT" and resid 59 and name HA )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 20532 weight 0.1000E+01 volume 2.57430 ppm1 3.844 ppm2 1.221 >>ASSI { 20542} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 20542 weight 0.1000E+01 volume 1.66760 ppm1 -1.498 ppm2 1.162 >>ASSI { 20552} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 20552 weight 0.1000E+01 volume 2.98280 ppm1 -0.258 ppm2 0.580 >>ASSI { 20562} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 20562 weight 0.1000E+01 volume 1.29630 ppm1 0.564 ppm2 2.157 >>ASSI { 20572} >> (( segid "PROT" and resid 46 and name HB )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 20572 weight 0.1000E+01 volume 1.80720 ppm1 2.331 ppm2 1.649 >>ASSI { 20582} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 20582 weight 0.1000E+01 volume 0.76780 ppm1 6.710 ppm2 2.265 >>ASSI { 20592} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 20592 weight 0.1000E+01 volume 1.52170 ppm1 0.237 ppm2 4.379 >>ASSI { 20602} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 32 and name HB2 )) >> 6 6 0 peak 20602 weight 0.1000E+01 volume 2.15420 ppm1 0.233 ppm2 3.672 >>ASSI { 20612} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 32 and name HB1 )) >> 6 6 0 peak 20612 weight 0.1000E+01 volume 1.61270 ppm1 0.396 ppm2 4.381 >>ASSI { 20622} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 32 and name HB1 )) >> 6 6 0 peak 20622 weight 0.1000E+01 volume 3.47940 ppm1 0.571 ppm2 4.377 >>ASSI { 20632} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 32 and name HB2 )) >> 6 6 0 peak 20632 weight 0.1000E+01 volume 2.66420 ppm1 0.567 ppm2 3.654 >>ASSI { 20642} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 20642 weight 0.1000E+01 volume 9.88950 ppm1 0.893 ppm2 4.023 >>ASSI { 20652} >> (( segid "PROT" and resid 90 and name HD1# )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 20652 weight 0.1000E+01 volume 22.45160 ppm1 0.991 ppm2 4.001 >>ASSI { 20662} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 20662 weight 0.1000E+01 volume 0.99290 ppm1 7.421 ppm2 4.350 >>ASSI { 20672} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 20672 weight 0.1000E+01 volume 2.48160 ppm1 0.659 ppm2 4.002 >>ASSI { 20682} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 20682 weight 0.1000E+01 volume 2.20140 ppm1 0.775 ppm2 4.011 >>ASSI { 20692} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 20692 weight 0.1000E+01 volume 2.50770 ppm1 1.035 ppm2 4.000 >>ASSI { 20702} >> (( segid "PROT" and resid 54 and name HG2 )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 20702 weight 0.1000E+01 volume 6.36210 ppm1 1.362 ppm2 1.806 >>ASSI { 20712} >> (( segid "PROT" and resid 54 and name HG2 )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 20712 weight 0.1000E+01 volume 14.28280 ppm1 1.360 ppm2 1.652 >>ASSI { 20722} >> (( segid "PROT" and resid 54 and name HG1 )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 20722 weight 0.1000E+01 volume 26.53060 ppm1 1.449 ppm2 1.655 >>ASSI { 20732} >> (( segid "PROT" and resid 54 and name HG1 )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 20732 weight 0.1000E+01 volume 14.46060 ppm1 1.449 ppm2 1.807 >>ASSI { 20742} >> (( segid "PROT" and resid 54 and name HB2 )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 20742 weight 0.1000E+01 volume 23.27630 ppm1 1.645 ppm2 1.811 >>ASSI { 20752} >> (( segid "PROT" and resid 54 and name HB1 )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 20752 weight 0.1000E+01 volume 30.01020 ppm1 1.809 ppm2 1.660 >>ASSI { 20762} >> (( segid "PROT" and resid 94 and name HG2 )) >> (( segid "PROT" and resid 94 and name HB2 )) >> 6 6 0 peak 20762 weight 0.1000E+01 volume 38.12920 ppm1 1.059 ppm2 1.384 >>ASSI { 20772} >> (( segid "PROT" and resid 94 and name HG1 )) >> (( segid "PROT" and resid 94 and name HB2 )) >> 6 6 0 peak 20772 weight 0.1000E+01 volume 24.37460 ppm1 1.173 ppm2 1.388 >>ASSI { 20782} >> (( segid "PROT" and resid 54 and name HA )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 20782 weight 0.1000E+01 volume 13.84010 ppm1 4.266 ppm2 1.819 >>ASSI { 20792} >> (( segid "PROT" and resid 54 and name HA )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 20792 weight 0.1000E+01 volume 25.48550 ppm1 4.264 ppm2 1.651 >>ASSI { 20802} >> (( segid "PROT" and resid 54 and name HD1 )) >> (( segid "PROT" and resid 54 and name HA )) >> 6 6 0 peak 20802 weight 0.1000E+01 volume 24.44370 ppm1 1.600 ppm2 4.243 >>ASSI { 20812} >> (( segid "PROT" and resid 54 and name HG1 )) >> (( segid "PROT" and resid 54 and name HA )) >> 6 6 0 peak 20812 weight 0.1000E+01 volume 19.56580 ppm1 1.451 ppm2 4.258 >>ASSI { 20822} >> (( segid "PROT" and resid 54 and name HA )) >> (( segid "PROT" and resid 54 and name HG1 )) >> 6 6 0 peak 20822 weight 0.1000E+01 volume 13.51840 ppm1 4.269 ppm2 1.452 >>ASSI { 20832} >> (( segid "PROT" and resid 54 and name HA )) >> (( segid "PROT" and resid 54 and name HG2 )) >> 6 6 0 peak 20832 weight 0.1000E+01 volume 34.34090 ppm1 4.267 ppm2 1.343 >>ASSI { 20842} >> (( segid "PROT" and resid 54 and name HB1 )) >> (( segid "PROT" and resid 54 and name HG1 )) >> 6 6 0 peak 20842 weight 0.1000E+01 volume 22.61940 ppm1 1.810 ppm2 1.456 >>ASSI { 20852} >> (( segid "PROT" and resid 54 and name HB1 )) >> (( segid "PROT" and resid 54 and name HG2 )) >> 6 6 0 peak 20852 weight 0.1000E+01 volume 21.78840 ppm1 1.813 ppm2 1.349 >>ASSI { 20862} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 20862 weight 0.1000E+01 volume 15.16030 ppm1 2.827 ppm2 1.477 >>ASSI { 20872} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 20872 weight 0.1000E+01 volume 19.28750 ppm1 2.827 ppm2 1.237 >>ASSI { 20882} >> (( segid "PROT" and resid 104 and name HB2 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 20882 weight 0.1000E+01 volume 7.73220 ppm1 2.008 ppm2 1.234 >>ASSI { 20892} >> (( segid "PROT" and resid 104 and name HB2 )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 20892 weight 0.1000E+01 volume 3.90350 ppm1 2.007 ppm2 1.479 >>ASSI { 20922} >> (( segid "PROT" and resid 104 and name HG2 )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 20922 weight 0.1000E+01 volume 31.79190 ppm1 1.237 ppm2 1.478 >>ASSI { 20932} >> (( segid "PROT" and resid 104 and name HG1 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 20932 weight 0.1000E+01 volume 49.49480 ppm1 1.476 ppm2 1.234 >>ASSI { 20942} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 20942 weight 0.1000E+01 volume 16.57860 ppm1 4.255 ppm2 1.237 >>ASSI { 20952} >> (( segid "PROT" and resid 54 and name HE1 )) >> (( segid "PROT" and resid 54 and name HG2 )) >> 6 6 0 peak 20952 weight 0.1000E+01 volume 36.48490 ppm1 2.927 ppm2 1.348 >>ASSI { 20962} >> (( segid "PROT" and resid 54 and name HE1 )) >> (( segid "PROT" and resid 54 and name HD1 )) >> 6 6 0 peak 20962 weight 0.1000E+01 volume 24.85590 ppm1 2.905 ppm2 1.565 >>ASSI { 20972} >> (( segid "PROT" and resid 54 and name HG1 )) >> (( segid "PROT" and resid 54 and name HD1 )) >> 6 6 0 peak 20972 weight 0.1000E+01 volume 220.16789 ppm1 1.449 ppm2 1.565 >>ASSI { 20982} >> (( segid "PROT" and resid 54 and name HG2 )) >> (( segid "PROT" and resid 54 and name HD1 )) >> 6 6 0 peak 20982 weight 0.1000E+01 volume 54.71470 ppm1 1.360 ppm2 1.557 >>ASSI { 20992} >> (( segid "PROT" and resid 54 and name HA )) >> (( segid "PROT" and resid 54 and name HD1 )) >> 6 6 0 peak 20992 weight 0.1000E+01 volume 31.14120 ppm1 4.263 ppm2 1.584 >>ASSI { 21002} >> (( segid "PROT" and resid 54 and name HG2 )) >> (( segid "PROT" and resid 54 and name HE1 )) >> 6 6 0 peak 21002 weight 0.1000E+01 volume 3.12540 ppm1 1.357 ppm2 2.925 >>ASSI { 21012} >> (( segid "PROT" and resid 54 and name HG1 )) >> (( segid "PROT" and resid 54 and name HE1 )) >> 6 6 0 peak 21012 weight 0.1000E+01 volume 11.88990 ppm1 1.452 ppm2 2.928 >>ASSI { 21022} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 21022 weight 0.1000E+01 volume 1.64700 ppm1 3.415 ppm2 1.348 >>ASSI { 21032} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 21032 weight 0.1000E+01 volume 2.62250 ppm1 3.417 ppm2 2.384 >>ASSI { 21042} >> (( segid "PROT" and resid 65 and name HB1 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 21042 weight 0.1000E+01 volume 16.29060 ppm1 1.983 ppm2 2.377 >>ASSI { 21052} >> (( segid "PROT" and resid 65 and name HG1 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 21052 weight 0.1000E+01 volume 11.64060 ppm1 1.870 ppm2 2.370 >>ASSI { 21062} >> (( segid "PROT" and resid 65 and name HE1 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 21062 weight 0.1000E+01 volume 1.26720 ppm1 2.349 ppm2 3.416 >>ASSI { 21072} >> (( segid "PROT" and resid 65 and name HE1 )) >> (( segid "PROT" and resid 65 and name HD1 )) >> 6 6 0 peak 21072 weight 0.1000E+01 volume 2.08960 ppm1 2.396 ppm2 1.543 >>ASSI { 21082} >> (( segid "PROT" and resid 65 and name HE1 )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 21082 weight 0.1000E+01 volume 4.69970 ppm1 2.393 ppm2 1.343 >>ASSI { 21092} >> (( segid "PROT" and resid 65 and name HD1 )) >> (( segid "PROT" and resid 65 and name HG1 )) >> 6 6 0 peak 21092 weight 0.1000E+01 volume 4.69980 ppm1 1.561 ppm2 1.857 >>ASSI { 21102} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 7 and name HD1 )) >> 6 6 0 peak 21102 weight 0.1000E+01 volume 31.35630 ppm1 2.680 ppm2 1.507 >>ASSI { 21112} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 94 and name HG2 )) >> 6 6 0 peak 21112 weight 0.1000E+01 volume 26.91530 ppm1 2.883 ppm2 1.053 >>ASSI { 21122} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 94 and name HG1 )) >> 6 6 0 peak 21122 weight 0.1000E+01 volume 16.87280 ppm1 2.888 ppm2 1.170 >>ASSI { 21132} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 63 and name HG2 )) >> 6 6 0 peak 21132 weight 0.1000E+01 volume 7.78470 ppm1 2.800 ppm2 1.188 >>ASSI { 21142} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 63 and name HG1 )) >> 6 6 0 peak 21142 weight 0.1000E+01 volume 14.84500 ppm1 2.801 ppm2 1.459 >>ASSI { 21152} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 21152 weight 0.1000E+01 volume 6.86000 ppm1 2.929 ppm2 1.602 >>ASSI { 21162} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 21162 weight 0.1000E+01 volume 19.89920 ppm1 2.926 ppm2 1.707 >>ASSI { 21172} >> (( segid "PROT" and resid 10 and name HE1 )) >> (( segid "PROT" and resid 10 and name HG2 )) >> 6 6 0 peak 21172 weight 0.1000E+01 volume 13.44190 ppm1 3.011 ppm2 1.551 >>ASSI { 21182} >> (( segid "PROT" and resid 10 and name HE1 )) >> (( segid "PROT" and resid 10 and name HG1 )) >> 6 6 0 peak 21182 weight 0.1000E+01 volume 6.71870 ppm1 3.011 ppm2 1.649 >>ASSI { 21192} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 21192 weight 0.1000E+01 volume 29.91790 ppm1 4.244 ppm2 1.796 >>ASSI { 21202} >> (( segid "PROT" and resid 94 and name HA )) >> (( segid "PROT" and resid 94 and name HG1 )) >> 6 6 0 peak 21202 weight 0.1000E+01 volume 4.96300 ppm1 2.178 ppm2 1.168 >>ASSI { 21212} >> (( segid "PROT" and resid 94 and name HA )) >> (( segid "PROT" and resid 94 and name HG2 )) >> 6 6 0 peak 21212 weight 0.1000E+01 volume 9.57620 ppm1 2.178 ppm2 1.055 >>ASSI { 21222} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 63 and name HB1 )) >> 6 6 0 peak 21222 weight 0.1000E+01 volume 4.37580 ppm1 1.195 ppm2 1.982 >>ASSI { 21232} >> (( segid "PROT" and resid 61 and name HG2# )) >> (( segid "PROT" and resid 63 and name HB1 )) >> 6 6 0 peak 21232 weight 0.1000E+01 volume 11.67730 ppm1 1.093 ppm2 1.993 >>ASSI { 21242} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 63 and name HB1 )) >> 6 6 0 peak 21242 weight 0.1000E+01 volume 1.11760 ppm1 6.608 ppm2 2.001 >>ASSI { 21252} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 63 and name HG2 )) >> 6 6 0 peak 21252 weight 0.1000E+01 volume 14.17180 ppm1 1.993 ppm2 1.194 >>ASSI { 21262} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 63 and name HG1 )) >> 6 6 0 peak 21262 weight 0.1000E+01 volume 16.66970 ppm1 1.188 ppm2 1.469 >>ASSI { 21272} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 63 and name HG1 )) >> 6 6 0 peak 21272 weight 0.1000E+01 volume 15.74350 ppm1 1.995 ppm2 1.461 >>ASSI { 21282} >> (( segid "PROT" and resid 22 and name HD1# )) >> (( segid "PROT" and resid 63 and name HG1 )) >> 6 6 0 peak 21282 weight 0.1000E+01 volume 11.56050 ppm1 1.093 ppm2 1.469 >>ASSI { 21292} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 21292 weight 0.1000E+01 volume 33.01240 ppm1 2.797 ppm2 1.469 >>ASSI { 21302} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 21302 weight 0.1000E+01 volume 10.91600 ppm1 3.693 ppm2 1.471 >>ASSI { 21312} >> (( segid "PROT" and resid 65 and name HD1 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 21312 weight 0.1000E+01 volume 18.31860 ppm1 1.552 ppm2 1.142 >>ASSI { 21322} >> (( segid "PROT" and resid 65 and name HG1 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 21322 weight 0.1000E+01 volume 20.56410 ppm1 1.881 ppm2 1.137 >>ASSI { 21332} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 21332 weight 0.1000E+01 volume 2.51530 ppm1 3.898 ppm2 1.672 >>ASSI { 21342} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 21342 weight 0.1000E+01 volume 2.10790 ppm1 3.996 ppm2 1.687 >>ASSI { 21352} >> (( segid "PROT" and resid 10 and name HB2 )) >> (( segid "PROT" and resid 10 and name HB1 )) >> 6 6 0 peak 21352 weight 0.1000E+01 volume 46.87550 ppm1 1.664 ppm2 2.160 >>ASSI { 21362} >> (( segid "PROT" and resid 10 and name HB1 )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 21362 weight 0.1000E+01 volume 22.64720 ppm1 2.167 ppm2 1.671 >>ASSI { 21372} >> (( segid "PROT" and resid 10 and name HA )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 21372 weight 0.1000E+01 volume 7.27630 ppm1 4.682 ppm2 1.663 >>ASSI { 21382} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 10 and name HG1 )) >> 6 6 0 peak 21382 weight 0.1000E+01 volume 2.80650 ppm1 3.900 ppm2 1.653 >>ASSI { 21392} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 10 and name HG1 )) >> 6 6 0 peak 21392 weight 0.1000E+01 volume 2.93550 ppm1 3.984 ppm2 1.655 >>ASSI { 21402} >> (( segid "PROT" and resid 11 and name HD1 )) >> (( segid "PROT" and resid 10 and name HG2 )) >> 6 6 0 peak 21402 weight 0.1000E+01 volume 3.49560 ppm1 3.990 ppm2 1.537 >>ASSI { 21412} >> (( segid "PROT" and resid 11 and name HD2 )) >> (( segid "PROT" and resid 10 and name HG2 )) >> 6 6 0 peak 21412 weight 0.1000E+01 volume 3.38300 ppm1 3.903 ppm2 1.549 >>ASSI { 21422} >> (( segid "PROT" and resid 10 and name HB1 )) >> (( segid "PROT" and resid 10 and name HG1 )) >> 6 6 0 peak 21422 weight 0.1000E+01 volume 8.89430 ppm1 2.165 ppm2 1.655 >>ASSI { 21432} >> (( segid "PROT" and resid 10 and name HB1 )) >> (( segid "PROT" and resid 10 and name HG2 )) >> 6 6 0 peak 21432 weight 0.1000E+01 volume 11.05460 ppm1 2.166 ppm2 1.546 >>ASSI { 21442} >> (( segid "PROT" and resid 10 and name HA )) >> (( segid "PROT" and resid 10 and name HD1 )) >> 6 6 0 peak 21442 weight 0.1000E+01 volume 12.45810 ppm1 4.679 ppm2 1.761 >>ASSI { 21452} >> (( segid "PROT" and resid 10 and name HB1 )) >> (( segid "PROT" and resid 10 and name HE1 )) >> 6 6 0 peak 21452 weight 0.1000E+01 volume 9.34000 ppm1 2.168 ppm2 3.000 >>ASSI { 21462} >> (( segid "PROT" and resid 10 and name HD1 )) >> (( segid "PROT" and resid 10 and name HE1 )) >> 6 6 0 peak 21462 weight 0.1000E+01 volume 23.34620 ppm1 1.770 ppm2 3.000 >>ASSI { 21472} >> (( segid "PROT" and resid 10 and name HG1 )) >> (( segid "PROT" and resid 10 and name HE1 )) >> 6 6 0 peak 21472 weight 0.1000E+01 volume 57.75720 ppm1 1.693 ppm2 3.002 >>ASSI { 21482} >> (( segid "PROT" and resid 6 and name HG2 )) >> (( segid "PROT" and resid 6 and name HD1 )) >> 6 6 0 peak 21482 weight 0.1000E+01 volume 29.09000 ppm1 1.300 ppm2 1.645 >>ASSI { 21492} >> (( segid "PROT" and resid 6 and name HG1 )) >> (( segid "PROT" and resid 6 and name HD1 )) >> 6 6 0 peak 21492 weight 0.1000E+01 volume 44.03220 ppm1 1.392 ppm2 1.644 >>ASSI { 21502} >> (( segid "PROT" and resid 6 and name HA )) >> (( segid "PROT" and resid 6 and name HD1 )) >> 6 6 0 peak 21502 weight 0.1000E+01 volume 6.36980 ppm1 4.274 ppm2 1.650 >>ASSI { 21512} >> (( segid "PROT" and resid 6 and name HA )) >> (( segid "PROT" and resid 6 and name HG1 )) >> 6 6 0 peak 21512 weight 0.1000E+01 volume 10.63830 ppm1 4.272 ppm2 1.388 >>ASSI { 21522} >> (( segid "PROT" and resid 6 and name HA )) >> (( segid "PROT" and resid 6 and name HG2 )) >> 6 6 0 peak 21522 weight 0.1000E+01 volume 6.56490 ppm1 4.272 ppm2 1.302 >>ASSI { 21532} >> (( segid "PROT" and resid 6 and name HG2 )) >> (( segid "PROT" and resid 6 and name HE1 )) >> 6 6 0 peak 21532 weight 0.1000E+01 volume 14.09550 ppm1 1.296 ppm2 2.921 >>ASSI { 21542} >> (( segid "PROT" and resid 6 and name HG2 )) >> (( segid "PROT" and resid 6 and name HA )) >> 6 6 0 peak 21542 weight 0.1000E+01 volume 16.91250 ppm1 1.301 ppm2 4.273 >>ASSI { 21552} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HD1 )) >> 6 6 0 peak 21552 weight 0.1000E+01 volume 9.69630 ppm1 7.388 ppm2 1.505 >>ASSI { 21562} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 21562 weight 0.1000E+01 volume 4.53750 ppm1 6.609 ppm2 1.469 >>ASSI { 21572} >> (( segid "PROT" and resid 7 and name HG2 )) >> (( segid "PROT" and resid 7 and name HD1 )) >> 6 6 0 peak 21572 weight 0.1000E+01 volume 15.61500 ppm1 0.964 ppm2 1.498 >>ASSI { 21582} >> (( segid "PROT" and resid 7 and name HA )) >> (( segid "PROT" and resid 7 and name HG2 )) >> 6 6 0 peak 21582 weight 0.1000E+01 volume 14.62150 ppm1 4.238 ppm2 0.961 >>ASSI { 21592} >> (( segid "PROT" and resid 7 and name HD1 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21592 weight 0.1000E+01 volume 35.33140 ppm1 1.511 ppm2 2.675 >>ASSI { 21602} >> (( segid "PROT" and resid 7 and name HB1 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21602 weight 0.1000E+01 volume 10.85290 ppm1 1.608 ppm2 2.680 >>ASSI { 21612} >> (( segid "PROT" and resid 7 and name HG1 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21612 weight 0.1000E+01 volume 19.67660 ppm1 1.095 ppm2 2.682 >>ASSI { 21622} >> (( segid "PROT" and resid 7 and name HG2 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21622 weight 0.1000E+01 volume 24.81490 ppm1 0.967 ppm2 2.673 >>ASSI { 21632} >> (( segid "PROT" and resid 7 and name HA )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21632 weight 0.1000E+01 volume 4.63970 ppm1 4.238 ppm2 2.684 >>ASSI { 21642} >> (( segid "PROT" and resid 9 and name HA )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21642 weight 0.1000E+01 volume 5.72450 ppm1 4.651 ppm2 2.680 >>ASSI { 21652} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 21652 weight 0.1000E+01 volume 9.17220 ppm1 7.392 ppm2 2.680 >>ASSI { 21662} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HG2 )) >> 6 6 0 peak 21662 weight 0.1000E+01 volume 2.20720 ppm1 7.384 ppm2 0.963 >>ASSI { 21672} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HA )) >> 6 6 0 peak 21672 weight 0.1000E+01 volume 3.47630 ppm1 7.395 ppm2 4.243 >>ASSI { 21682} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 94 and name HD1 )) >> 6 6 0 peak 21682 weight 0.1000E+01 volume 51.77930 ppm1 2.883 ppm2 1.507 >>ASSI { 21692} >> (( segid "PROT" and resid 93 and name HA )) >> (( segid "PROT" and resid 93 and name HB2 )) >> 6 6 0 peak 21692 weight 0.1000E+01 volume 9.60730 ppm1 4.310 ppm2 1.714 >>ASSI { 21702} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 21702 weight 0.1000E+01 volume 5.03290 ppm1 7.125 ppm2 2.179 >>ASSI { 21712} >> (( segid "PROT" and resid 99 and name HB1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 21712 weight 0.1000E+01 volume 1.74920 ppm1 3.408 ppm2 2.175 >>ASSI { 21722} >> (( segid "PROT" and resid 31 and name HG2 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 21722 weight 0.1000E+01 volume 4.56830 ppm1 1.582 ppm2 2.589 >>ASSI { 21732} >> (( segid "PROT" and resid 31 and name HG1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 21732 weight 0.1000E+01 volume 2.89160 ppm1 2.304 ppm2 2.589 >>ASSI { 21742} >> (( segid "PROT" and resid 28 and name HB2 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 21742 weight 0.1000E+01 volume 2.05660 ppm1 2.053 ppm2 2.591 >>ASSI { 21752} >> (( segid "PROT" and resid 101 and name HB1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 21752 weight 0.1000E+01 volume 2.47500 ppm1 3.921 ppm2 2.587 >>ASSI { 21762} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 21762 weight 0.1000E+01 volume 2.93570 ppm1 7.100 ppm2 2.581 >>ASSI { 21772} >> (( segid "PROT" and resid 94 and name HG2 )) >> (( segid "PROT" and resid 94 and name HD1 )) >> 6 6 0 peak 21772 weight 0.1000E+01 volume 99.27350 ppm1 1.088 ppm2 1.495 >>ASSI { 21782} >> (( segid "PROT" and resid 94 and name HG1 )) >> (( segid "PROT" and resid 94 and name HD1 )) >> 6 6 0 peak 21782 weight 0.1000E+01 volume 81.66110 ppm1 1.174 ppm2 1.489 >>ASSI { 21792} >> (( segid "PROT" and resid 94 and name HA )) >> (( segid "PROT" and resid 94 and name HD1 )) >> 6 6 0 peak 21792 weight 0.1000E+01 volume 12.65290 ppm1 2.175 ppm2 1.504 >>ASSI { 21802} >> (( segid "PROT" and resid 94 and name HB2 )) >> (( segid "PROT" and resid 94 and name HG2 )) >> 6 6 0 peak 21802 weight 0.1000E+01 volume 23.37480 ppm1 1.369 ppm2 1.057 >>ASSI { 21812} >> (( segid "PROT" and resid 94 and name HB1 )) >> (( segid "PROT" and resid 94 and name HG2 )) >> 6 6 0 peak 21812 weight 0.1000E+01 volume 34.68000 ppm1 1.436 ppm2 1.063 >>ASSI { 21822} >> (( segid "PROT" and resid 94 and name HB2 )) >> (( segid "PROT" and resid 94 and name HG1 )) >> 6 6 0 peak 21822 weight 0.1000E+01 volume 32.99570 ppm1 1.371 ppm2 1.176 >>ASSI { 21832} >> (( segid "PROT" and resid 63 and name HG1 )) >> (( segid "PROT" and resid 63 and name HG2 )) >> 6 6 0 peak 21832 weight 0.1000E+01 volume 101.89410 ppm1 1.471 ppm2 1.186 >>ASSI { 21842} >> (( segid "PROT" and resid 94 and name HD1 )) >> (( segid "PROT" and resid 94 and name HG2 )) >> 6 6 0 peak 21842 weight 0.1000E+01 volume 25.87990 ppm1 1.502 ppm2 1.063 >>ASSI { 21852} >> (( segid "PROT" and resid 94 and name HG2 )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 21852 weight 0.1000E+01 volume 44.46470 ppm1 1.060 ppm2 2.878 >>ASSI { 21862} >> (( segid "PROT" and resid 94 and name HG1 )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 21862 weight 0.1000E+01 volume 41.76160 ppm1 1.170 ppm2 2.879 >>ASSI { 21872} >> (( segid "PROT" and resid 89 and name HB2 )) >> (( segid "PROT" and resid 89 and name HA )) >> 6 6 0 peak 21872 weight 0.1000E+01 volume 0.58110 ppm1 3.121 ppm2 4.815 >>ASSI { 21882} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 64 and name HD1 )) >> 6 6 0 peak 21882 weight 0.1000E+01 volume 5.95670 ppm1 4.170 ppm2 3.204 >>ASSI { 21892} >> (( segid "PROT" and resid 93 and name HA )) >> (( segid "PROT" and resid 93 and name HD1 )) >> 6 6 0 peak 21892 weight 0.1000E+01 volume 8.19650 ppm1 4.309 ppm2 3.172 >>ASSI { 21902} >> (( segid "PROT" and resid 6 and name HB1 )) >> (( segid "PROT" and resid 6 and name HA )) >> 6 6 0 peak 21902 weight 0.1000E+01 volume 62.48950 ppm1 1.781 ppm2 4.275 >>ASSI { 21912} >> (( segid "PROT" and resid 92 and name HA )) >> (( segid "PROT" and resid 92 and name HB2 )) >> 6 6 0 peak 21912 weight 0.1000E+01 volume 5.64800 ppm1 4.651 ppm2 2.859 >>ASSI { 21922} >> (( segid "PROT" and resid 93 and name HD1 )) >> (( segid "PROT" and resid 93 and name HB2 )) >> 6 6 0 peak 21922 weight 0.1000E+01 volume 11.64070 ppm1 3.167 ppm2 1.722 >>ASSI { 21932} >> (( segid "PROT" and resid 93 and name HD1 )) >> (( segid "PROT" and resid 93 and name HB1 )) >> 6 6 0 peak 21932 weight 0.1000E+01 volume 13.97840 ppm1 3.171 ppm2 1.896 >>ASSI { 21942} >> (( segid "PROT" and resid 93 and name HD1 )) >> (( segid "PROT" and resid 93 and name HG1 )) >> 6 6 0 peak 21942 weight 0.1000E+01 volume 39.80640 ppm1 3.178 ppm2 1.725 >>ASSI { 21952} >> (( segid "PROT" and resid 93 and name HA )) >> (( segid "PROT" and resid 93 and name HG1 )) >> 6 6 0 peak 21952 weight 0.1000E+01 volume 11.98250 ppm1 4.304 ppm2 1.741 >>ASSI { 21962} >> (( segid "PROT" and resid 93 and name HG1 )) >> (( segid "PROT" and resid 93 and name HD1 )) >> 6 6 0 peak 21962 weight 0.1000E+01 volume 57.03720 ppm1 1.738 ppm2 3.169 >>ASSI { 21972} >> (( segid "PROT" and resid 5 and name HB1 )) >> (( segid "PROT" and resid 5 and name HA )) >> 6 6 0 peak 21972 weight 0.1000E+01 volume 20.36760 ppm1 1.832 ppm2 4.314 >>ASSI { 21982} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 95 and name HA )) >> 6 6 0 peak 21982 weight 0.1000E+01 volume 13.07080 ppm1 2.921 ppm2 4.102 >>ASSI { 21992} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 21992 weight 0.1000E+01 volume 2.58550 ppm1 7.126 ppm2 1.709 >>ASSI { 22002} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 22002 weight 0.1000E+01 volume 15.28410 ppm1 4.323 ppm2 1.594 >>ASSI { 22012} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 22012 weight 0.1000E+01 volume 3.33820 ppm1 4.323 ppm2 1.705 >>ASSI { 22022} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 22022 weight 0.1000E+01 volume 22.48510 ppm1 2.036 ppm2 1.698 >>ASSI { 22032} >> (( segid "PROT" and resid 100 and name HB1 )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 22032 weight 0.1000E+01 volume 29.73720 ppm1 2.037 ppm2 1.602 >>ASSI { 22042} >> (( segid "PROT" and resid 100 and name HE1 )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 22042 weight 0.1000E+01 volume 4.66540 ppm1 2.921 ppm2 2.032 >>ASSI { 22052} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 22052 weight 0.1000E+01 volume 3.50450 ppm1 7.128 ppm2 3.783 >>ASSI { 22062} >> (( segid "PROT" and resid 13 and name HA )) >> (( segid "PROT" and resid 13 and name HB2 )) >> 6 6 0 peak 22062 weight 0.1000E+01 volume 67.98270 ppm1 4.131 ppm2 2.216 >>ASSI { 22072} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 22072 weight 0.1000E+01 volume 3.79580 ppm1 4.552 ppm2 2.212 >>ASSI { 22082} >> (( segid "PROT" and resid 114 and name HA )) >> (( segid "PROT" and resid 117 and name HB2 )) >> 6 6 0 peak 22082 weight 0.1000E+01 volume 1.40010 ppm1 4.554 ppm2 1.982 >>ASSI { 22092} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 22092 weight 0.1000E+01 volume 3.55600 ppm1 1.190 ppm2 3.827 >>ASSI { 22102} >> (( segid "PROT" and resid 64 and name HG1 )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 22102 weight 0.1000E+01 volume 8.39300 ppm1 1.669 ppm2 4.165 >>ASSI { 22112} >> (( segid "PROT" and resid 34 and name HG2 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 22112 weight 0.1000E+01 volume 2.24370 ppm1 1.792 ppm2 4.359 >>ASSI { 22122} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 22122 weight 0.1000E+01 volume 2.16670 ppm1 3.825 ppm2 4.359 >>ASSI { 22132} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22132 weight 0.1000E+01 volume 1.72360 ppm1 4.362 ppm2 3.832 >>ASSI { 22142} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22142 weight 0.1000E+01 volume 1.56410 ppm1 7.095 ppm2 3.804 >>ASSI { 22152} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22152 weight 0.1000E+01 volume 3.00390 ppm1 7.384 ppm2 3.800 >>ASSI { 22162} >> (( segid "PROT" and resid 33 and name HB2 )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22162 weight 0.1000E+01 volume 3.71080 ppm1 1.588 ppm2 3.809 >>ASSI { 22172} >> (( segid "PROT" and resid 34 and name HG2 )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22172 weight 0.1000E+01 volume 5.83610 ppm1 1.789 ppm2 3.808 >>ASSI { 22182} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 22182 weight 0.1000E+01 volume 3.30250 ppm1 0.612 ppm2 3.805 >>ASSI { 22192} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 34 and name HG1 )) >> 6 6 0 peak 22192 weight 0.1000E+01 volume 8.12990 ppm1 3.820 ppm2 1.957 >>ASSI { 22202} >> (( segid "PROT" and resid 34 and name HD1 )) >> (( segid "PROT" and resid 34 and name HG2 )) >> 6 6 0 peak 22202 weight 0.1000E+01 volume 11.27750 ppm1 3.794 ppm2 1.785 >>ASSI { 22212} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 34 and name HG2 )) >> 6 6 0 peak 22212 weight 0.1000E+01 volume 5.62310 ppm1 4.356 ppm2 1.758 >>ASSI { 22222} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 34 and name HG1 )) >> 6 6 0 peak 22222 weight 0.1000E+01 volume 3.77730 ppm1 4.356 ppm2 1.957 >>ASSI { 22232} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 22232 weight 0.1000E+01 volume 1.64370 ppm1 7.095 ppm2 1.790 >>ASSI { 22242} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 34 and name HG1 )) >> 6 6 0 peak 22242 weight 0.1000E+01 volume 2.33290 ppm1 7.100 ppm2 1.957 >>ASSI { 22252} >> (( segid "PROT" and resid 24 and name HA )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 22252 weight 0.1000E+01 volume 23.25480 ppm1 3.949 ppm2 1.693 >>ASSI { 22262} >> (( segid "PROT" and resid 58 and name HB1 )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 22262 weight 0.1000E+01 volume 11.95920 ppm1 2.592 ppm2 2.303 >>ASSI { 22272} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 22272 weight 0.1000E+01 volume 5.17110 ppm1 5.064 ppm2 0.882 >>ASSI { 22282} >> (( segid "PROT" and resid 64 and name HB1 )) >> (( segid "PROT" and resid 64 and name HD1 )) >> 6 6 0 peak 22282 weight 0.1000E+01 volume 31.00780 ppm1 2.004 ppm2 3.200 >>ASSI { 22292} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 64 and name HD1 )) >> 6 6 0 peak 22292 weight 0.1000E+01 volume 9.00770 ppm1 1.224 ppm2 3.204 >>ASSI { 22302} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 64 and name HD1 )) >> 6 6 0 peak 22302 weight 0.1000E+01 volume 59.69240 ppm1 1.500 ppm2 3.207 >>ASSI { 22312} >> (( segid "PROT" and resid 64 and name HD1 )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 22312 weight 0.1000E+01 volume 7.64960 ppm1 3.205 ppm2 1.984 >>ASSI { 22322} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 22322 weight 0.1000E+01 volume 29.40350 ppm1 4.161 ppm2 1.988 >>ASSI { 22332} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 22332 weight 0.1000E+01 volume 17.58660 ppm1 1.501 ppm2 1.978 >>ASSI { 22342} >> (( segid "PROT" and resid 64 and name HD1 )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 22342 weight 0.1000E+01 volume 11.55700 ppm1 3.222 ppm2 1.498 >>ASSI { 22352} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 22352 weight 0.1000E+01 volume 14.55090 ppm1 4.169 ppm2 1.498 >>ASSI { 22362} >> (( segid "PROT" and resid 64 and name HG2 )) >> (( segid "PROT" and resid 64 and name HG1 )) >> 6 6 0 peak 22362 weight 0.1000E+01 volume 93.20730 ppm1 1.506 ppm2 1.667 >>ASSI { 22372} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 64 and name HG1 )) >> 6 6 0 peak 22372 weight 0.1000E+01 volume 13.70330 ppm1 1.222 ppm2 1.667 >>ASSI { 22382} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 64 and name HG1 )) >> 6 6 0 peak 22382 weight 0.1000E+01 volume 16.76770 ppm1 4.174 ppm2 1.678 >>ASSI { 22392} >> (( segid "PROT" and resid 78 and name HG1# )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 22392 weight 0.1000E+01 volume 6.50620 ppm1 1.254 ppm2 4.198 >>ASSI { 22402} >> (( segid "PROT" and resid 78 and name HG2# )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 22402 weight 0.1000E+01 volume 7.56160 ppm1 1.114 ppm2 4.204 >>ASSI { 22412} >> (( segid "PROT" and resid 55 and name HB1 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 22412 weight 0.1000E+01 volume 14.31280 ppm1 2.738 ppm2 0.888 >>ASSI { 22422} >> (( segid "PROT" and resid 57 and name HG1 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 22422 weight 0.1000E+01 volume 6.78130 ppm1 3.003 ppm2 0.888 >>ASSI { 22432} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 22432 weight 0.1000E+01 volume 54.56370 ppm1 0.883 ppm2 1.096 >>ASSI { 22442} >> (( segid "PROT" and resid 55 and name HB1 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 22442 weight 0.1000E+01 volume 28.46650 ppm1 2.738 ppm2 1.097 >>ASSI { 22452} >> (( segid "PROT" and resid 86 and name HB1 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 22452 weight 0.1000E+01 volume 4.10430 ppm1 3.117 ppm2 1.108 >>ASSI { 22462} >> (( segid "PROT" and resid 86 and name HB2 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 22462 weight 0.1000E+01 volume 2.63560 ppm1 2.887 ppm2 1.108 >>ASSI { 22472} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 22472 weight 0.1000E+01 volume 11.76670 ppm1 3.773 ppm2 1.411 >>ASSI { 22482} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 83 and name HG )) >> 6 6 0 peak 22482 weight 0.1000E+01 volume 9.98540 ppm1 2.160 ppm2 1.410 >>ASSI { 22492} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 74 and name HG1 )) >> 6 6 0 peak 22492 weight 0.1000E+01 volume 11.70730 ppm1 0.607 ppm2 1.793 >>ASSI { 22502} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 22502 weight 0.1000E+01 volume 7.65740 ppm1 0.611 ppm2 1.407 >>ASSI { 22512} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 22512 weight 0.1000E+01 volume 8.80880 ppm1 0.266 ppm2 1.408 >>ASSI { 22522} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 22522 weight 0.1000E+01 volume 3.36470 ppm1 0.354 ppm2 1.410 >>ASSI { 22532} >> (( segid "PROT" and resid 57 and name HA )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 22532 weight 0.1000E+01 volume 2.00300 ppm1 5.069 ppm2 4.228 >>ASSI { 22542} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 22542 weight 0.1000E+01 volume 3.06580 ppm1 0.772 ppm2 4.307 >>ASSI { 22552} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 22552 weight 0.1000E+01 volume 1.67940 ppm1 0.889 ppm2 4.307 >>ASSI { 22562} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 22562 weight 0.1000E+01 volume 3.25940 ppm1 0.607 ppm2 4.299 >>ASSI { 22572} >> (( segid "PROT" and resid 117 and name HB2 )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 22572 weight 0.1000E+01 volume 9.40620 ppm1 1.975 ppm2 4.301 >>ASSI { 22582} >> (( segid "PROT" and resid 117 and name HB2 )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 22582 weight 0.1000E+01 volume 2.41060 ppm1 1.988 ppm2 4.549 >>ASSI { 22592} >> (( segid "PROT" and resid 84 and name HG1 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 22592 weight 0.1000E+01 volume 15.37610 ppm1 2.580 ppm2 1.217 >>ASSI { 22602} >> (( segid "PROT" and resid 94 and name HA )) >> (( segid "PROT" and resid 94 and name HB1 )) >> 6 6 0 peak 22602 weight 0.1000E+01 volume 47.26770 ppm1 2.174 ppm2 1.401 >>ASSI { 22612} >> (( segid "PROT" and resid 84 and name HB1 )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 22612 weight 0.1000E+01 volume 2.77600 ppm1 2.210 ppm2 2.474 >>ASSI { 22622} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 84 and name HG2 )) >> 6 6 0 peak 22622 weight 0.1000E+01 volume 3.60690 ppm1 1.241 ppm2 1.831 >>ASSI { 22632} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HB2 )) >> 6 6 0 peak 22632 weight 0.1000E+01 volume 30.15060 ppm1 2.442 ppm2 2.141 >>ASSI { 22642} >> (( segid "PROT" and resid 84 and name HB1 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 22642 weight 0.1000E+01 volume 6.89680 ppm1 2.199 ppm2 3.650 >>ASSI { 22652} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 22652 weight 0.1000E+01 volume 3.89660 ppm1 2.318 ppm2 -0.372 >>ASSI { 22662} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 22662 weight 0.1000E+01 volume 5.62340 ppm1 1.709 ppm2 -0.371 >>ASSI { 22672} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 22672 weight 0.1000E+01 volume 1.61610 ppm1 0.393 ppm2 4.102 >>ASSI { 22692} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 22692 weight 0.1000E+01 volume 2.60300 ppm1 0.579 ppm2 1.165 >>ASSI { 22702} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 22702 weight 0.1000E+01 volume 18.13130 ppm1 0.682 ppm2 0.826 >>ASSI { 22712} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 22712 weight 0.1000E+01 volume 5.33160 ppm1 0.367 ppm2 0.826 >>ASSI { 22732} >> (( segid "PROT" and resid 27 and name HG1 )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 22732 weight 0.1000E+01 volume 11.47920 ppm1 1.700 ppm2 1.414 >>ASSI { 22742} >> (( segid "PROT" and resid 27 and name HB1 )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 22742 weight 0.1000E+01 volume 4.42820 ppm1 1.897 ppm2 1.413 >>ASSI { 22752} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 22752 weight 0.1000E+01 volume 3.96450 ppm1 0.956 ppm2 2.259 >>ASSI { 22762} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 104 and name HE1 )) >> 6 6 0 peak 22762 weight 0.1000E+01 volume 25.55040 ppm1 0.961 ppm2 2.831 >>ASSI { 22772} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 94 and name HB2 )) >> 6 6 0 peak 22772 weight 0.1000E+01 volume 6.30700 ppm1 2.887 ppm2 1.387 >>ASSI { 22782} >> (( segid "PROT" and resid 10 and name HE1 )) >> (( segid "PROT" and resid 10 and name HD1 )) >> 6 6 0 peak 22782 weight 0.1000E+01 volume 31.98530 ppm1 3.007 ppm2 1.714 >>ASSI { 22792} >> (( segid "PROT" and resid 94 and name HD1 )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 22792 weight 0.1000E+01 volume 106.47320 ppm1 1.507 ppm2 2.881 >>ASSI { 22802} >> (( segid "PROT" and resid 104 and name HD1 )) >> (( segid "PROT" and resid 104 and name HE1 )) >> 6 6 0 peak 22802 weight 0.1000E+01 volume 33.97620 ppm1 1.795 ppm2 2.819 >>ASSI { 22812} >> (( segid "PROT" and resid 104 and name HA )) >> (( segid "PROT" and resid 104 and name HE1 )) >> 6 6 0 peak 22812 weight 0.1000E+01 volume 10.74890 ppm1 4.240 ppm2 2.829 >>ASSI { 22822} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 63 and name HE1 )) >> 6 6 0 peak 22822 weight 0.1000E+01 volume 4.57300 ppm1 6.603 ppm2 2.803 >>ASSI { 22832} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 22832 weight 0.1000E+01 volume 2.40270 ppm1 7.321 ppm2 2.578 >>ASSI { 22842} >> (( segid "PROT" and resid 31 and name HG1 )) >> (( segid "PROT" and resid 31 and name HG2 )) >> 6 6 0 peak 22842 weight 0.1000E+01 volume 2.10200 ppm1 2.305 ppm2 1.589 >>ASSI { 22852} >> (( segid "PROT" and resid 31 and name HG2 )) >> (( segid "PROT" and resid 31 and name HG1 )) >> 6 6 0 peak 22852 weight 0.1000E+01 volume 6.18800 ppm1 1.595 ppm2 2.287 >>ASSI { 22862} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 31 and name HG1 )) >> 6 6 0 peak 22862 weight 0.1000E+01 volume 1.21350 ppm1 4.505 ppm2 2.298 >>ASSI { 22872} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 31 and name HG2 )) >> 6 6 0 peak 22872 weight 0.1000E+01 volume 1.45810 ppm1 4.514 ppm2 1.598 >>ASSI { 22882} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 31 and name HG1 )) >> 6 6 0 peak 22882 weight 0.1000E+01 volume 1.38370 ppm1 7.101 ppm2 2.305 >>ASSI { 22892} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 31 and name HG2 )) >> 6 6 0 peak 22892 weight 0.1000E+01 volume 1.45660 ppm1 7.096 ppm2 1.574 >>ASSI { 22902} >> (( segid "PROT" and resid 89 and name HD1 )) >> (( segid "PROT" and resid 89 and name HA )) >> 6 6 0 peak 22902 weight 0.1000E+01 volume 0.48780 ppm1 4.993 ppm2 4.808 >>ASSI { 22912} >> (( segid "PROT" and resid 71 and name HD1 )) >> (( segid "PROT" and resid 71 and name HA )) >> 6 6 0 peak 22912 weight 0.1000E+01 volume 0.51990 ppm1 6.870 ppm2 4.765 >>ASSI { 22932} >> (( segid "PROT" and resid 71 and name HB1 )) >> (( segid "PROT" and resid 71 and name HA )) >> 6 6 0 peak 22932 weight 0.1000E+01 volume 1.80160 ppm1 2.754 ppm2 4.776 >>ASSI { 22962} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 63 and name HE1 )) >> 6 6 0 peak 22962 weight 0.1000E+01 volume 19.28330 ppm1 1.199 ppm2 2.807 >>ASSI { 22972} >> (( segid "PROT" and resid 65 and name HE1 )) >> (( segid "PROT" and resid 65 and name HB2 )) >> 6 6 0 peak 22972 weight 0.1000E+01 volume 1.76540 ppm1 2.348 ppm2 0.555 >>ASSI { 22982} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 65 and name HB1 )) >> 6 6 0 peak 22982 weight 0.1000E+01 volume 3.15400 ppm1 0.570 ppm2 1.959 >>ASSI { 22992} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 22992 weight 0.1000E+01 volume 3.73720 ppm1 4.031 ppm2 0.661 >>ASSI { 23002} >> (( segid "PROT" and resid 91 and name HA )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 23002 weight 0.1000E+01 volume 8.75630 ppm1 4.010 ppm2 0.983 >>ASSI { 23012} >> (( segid "PROT" and resid 14 and name HB2 )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 23012 weight 0.1000E+01 volume 1.98320 ppm1 1.304 ppm2 4.227 >>ASSI { 23022} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 23022 weight 0.1000E+01 volume 4.36810 ppm1 7.389 ppm2 1.627 >>ASSI { 23032} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 28 and name HG2 )) >> 6 6 0 peak 23032 weight 0.1000E+01 volume 11.76160 ppm1 0.881 ppm2 2.055 >>ASSI { 23042} >> (( segid "PROT" and resid 101 and name HA )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 23042 weight 0.1000E+01 volume 1.01980 ppm1 4.506 ppm2 2.576 >>ASSI { 23052} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 23052 weight 0.1000E+01 volume 3.88870 ppm1 7.372 ppm2 4.352 >>ASSI { 23062} >> (( segid "PROT" and resid 95 and name HA )) >> (( segid "PROT" and resid 94 and name HE1 )) >> 6 6 0 peak 23062 weight 0.1000E+01 volume 14.22050 ppm1 4.100 ppm2 2.928 >>ASSI { 23082} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 23082 weight 0.1000E+01 volume 2.54700 ppm1 2.800 ppm2 1.088 >>ASSI { 23092} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 23092 weight 0.1000E+01 volume 2.11030 ppm1 0.343 ppm2 1.087 >>ASSI { 23102} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 23102 weight 0.1000E+01 volume 8.08870 ppm1 0.733 ppm2 1.094 >>ASSI { 23112} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 23112 weight 0.1000E+01 volume 0.45380 ppm1 6.614 ppm2 1.709 >>ASSI { 23122} >> (( segid "PROT" and resid 38 and name HD2 )) >> (( segid "PROT" and resid 37 and name HG2 )) >> 6 6 0 peak 23122 weight 0.1000E+01 volume 2.79840 ppm1 3.455 ppm2 2.142 >>ASSI { 23132} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 23132 weight 0.1000E+01 volume 2.39720 ppm1 1.765 ppm2 4.029 >>ASSI { 23142} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 23142 weight 0.1000E+01 volume 2.74160 ppm1 2.005 ppm2 4.031 >>ASSI { 23152} >> (( segid "PROT" and resid 43 and name HD1# )) >> (( segid "PROT" and resid 40 and name HB1 )) >> 6 6 0 peak 23152 weight 0.1000E+01 volume 8.25470 ppm1 0.833 ppm2 2.919 >>ASSI { 23162} >> (( segid "PROT" and resid 117 and name HG2 )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 23162 weight 0.1000E+01 volume 2.26360 ppm1 2.510 ppm2 1.215 >>ASSI { 23172} >> (( segid "PROT" and resid 18 and name HD1# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 23172 weight 0.1000E+01 volume 3.78630 ppm1 0.234 ppm2 1.112 >>ASSI { 23182} >> (( segid "PROT" and resid 115 and name HB1 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 23182 weight 0.1000E+01 volume 91.70070 ppm1 2.277 ppm2 2.041 >>ASSI { 23192} >> (( segid "PROT" and resid 116 and name HA )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 23192 weight 0.1000E+01 volume 26.17640 ppm1 3.673 ppm2 4.000 >>ASSI { 23202} >> (( segid "PROT" and resid 113 and name HA )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 23202 weight 0.1000E+01 volume 17.02340 ppm1 4.097 ppm2 1.037 >>ASSI { 23212} >> (( segid "PROT" and resid 117 and name HE# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 23212 weight 0.1000E+01 volume 10.91700 ppm1 1.472 ppm2 1.112 >>ASSI { 23222} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 23222 weight 0.1000E+01 volume 2.38600 ppm1 4.309 ppm2 1.634 >>ASSI { 23232} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 23232 weight 0.1000E+01 volume 1.08670 ppm1 4.309 ppm2 0.659 >>ASSI { 23242} >> (( segid "PROT" and resid 17 and name HA )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 23242 weight 0.1000E+01 volume 2.41430 ppm1 4.182 ppm2 0.660 >>ASSI { 23252} >> (( segid "PROT" and resid 119 and name HB2 )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 23252 weight 0.1000E+01 volume 0.60620 ppm1 3.976 ppm2 0.656 >>ASSI { 23262} >> (( segid "PROT" and resid 52 and name HD1# )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 23262 weight 0.1000E+01 volume 2.48690 ppm1 0.882 ppm2 2.947 >>ASSI { 23272} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 23272 weight 0.1000E+01 volume 1.68040 ppm1 0.608 ppm2 0.997 >>ASSI { 23282} >> (( segid "PROT" and resid 50 and name HA )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 23282 weight 0.1000E+01 volume 1.54980 ppm1 4.974 ppm2 0.607 >>ASSI { 23292} >> (( segid "PROT" and resid 83 and name HD1# )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 23292 weight 0.1000E+01 volume 2.35380 ppm1 0.889 ppm2 5.243 >>ASSI { 23302} >> (( segid "PROT" and resid 83 and name HD2# )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 23302 weight 0.1000E+01 volume 1.32880 ppm1 1.107 ppm2 5.245 >>ASSI { 23312} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 23312 weight 0.1000E+01 volume 4.60660 ppm1 0.958 ppm2 0.564 >>ASSI { 23322} >> (( segid "PROT" and resid 10 and name HB2 )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 23322 weight 0.1000E+01 volume 4.08430 ppm1 1.672 ppm2 2.415 >>ASSI { 23332} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 23332 weight 0.1000E+01 volume 8.05780 ppm1 0.609 ppm2 0.352 >>ASSI { 23342} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 23342 weight 0.1000E+01 volume 7.34160 ppm1 0.660 ppm2 0.350 >>ASSI { 23352} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 23352 weight 0.1000E+01 volume 5.50660 ppm1 0.564 ppm2 2.381 >>ASSI { 23362} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 23362 weight 0.1000E+01 volume 4.30700 ppm1 0.882 ppm2 1.903 >>ASSI { 23372} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 23372 weight 0.1000E+01 volume 7.69960 ppm1 0.736 ppm2 1.539 >>ASSI { 23382} >> (( segid "PROT" and resid 120 and name HB1 )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 23382 weight 0.1000E+01 volume 11.86200 ppm1 1.782 ppm2 1.335 >>ASSI { 23392} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 23392 weight 0.1000E+01 volume 4.60090 ppm1 2.072 ppm2 1.337 >>ASSI { 23402} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 23402 weight 0.1000E+01 volume 13.34330 ppm1 1.551 ppm2 1.334 >>ASSI { 23412} >> (( segid "PROT" and resid 120 and name HB2 )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 23412 weight 0.1000E+01 volume 4.41290 ppm1 1.635 ppm2 1.334 >>ASSI { 23422} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 23422 weight 0.1000E+01 volume 1.74110 ppm1 1.042 ppm2 4.185 >>ASSI { 23432} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 23432 weight 0.1000E+01 volume 16.91370 ppm1 0.835 ppm2 0.740 >>ASSI { 23442} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 23442 weight 0.1000E+01 volume 6.46730 ppm1 0.344 ppm2 0.734 >>ASSI { 23452} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 23452 weight 0.1000E+01 volume 13.59990 ppm1 0.350 ppm2 0.829 >>ASSI { 23462} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 23462 weight 0.1000E+01 volume 3.04380 ppm1 0.506 ppm2 0.831 >>ASSI { 23472} >> (( segid "PROT" and resid 18 and name HB2 )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 23472 weight 0.1000E+01 volume 3.72190 ppm1 0.349 ppm2 0.771 >>ASSI { 23482} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 23482 weight 0.1000E+01 volume 33.71350 ppm1 0.611 ppm2 0.771 >>ASSI { 23492} >> (( segid "PROT" and resid 19 and name HG2 )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 23492 weight 0.1000E+01 volume 5.47690 ppm1 2.552 ppm2 4.421 >>ASSI { 23502} >> (( segid "PROT" and resid 113 and name HD1# )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 23502 weight 0.1000E+01 volume 39.75710 ppm1 0.887 ppm2 1.298 >>ASSI { 23512} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 23512 weight 0.1000E+01 volume 6.77490 ppm1 0.721 ppm2 1.301 >>ASSI { 23522} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 23522 weight 0.1000E+01 volume 4.58160 ppm1 0.723 ppm2 2.165 >>ASSI { 23532} >> (( segid "PROT" and resid 107 and name HG1 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 23532 weight 0.1000E+01 volume 5.49330 ppm1 2.503 ppm2 0.961 >>ASSI { 23542} >> (( segid "PROT" and resid 107 and name HB1 )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 23542 weight 0.1000E+01 volume 6.79870 ppm1 2.272 ppm2 0.957 >>ASSI { 23552} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 23552 weight 0.1000E+01 volume 7.16750 ppm1 0.567 ppm2 0.960 >>ASSI { 23562} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 23562 weight 0.1000E+01 volume 1.09670 ppm1 4.032 ppm2 3.418 >>ASSI { 23572} >> (( segid "PROT" and resid 109 and name HB2 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 23572 weight 0.1000E+01 volume 3.61230 ppm1 3.045 ppm2 0.922 >>ASSI { 23582} >> (( segid "PROT" and resid 104 and name HG2 )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 23582 weight 0.1000E+01 volume 16.51040 ppm1 1.236 ppm2 1.797 >>ASSI { 23592} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 23592 weight 0.1000E+01 volume 7.42680 ppm1 0.957 ppm2 1.804 >>ASSI { 23602} >> (( segid "PROT" and resid 94 and name HD1 )) >> (( segid "PROT" and resid 94 and name HB2 )) >> 6 6 0 peak 23602 weight 0.1000E+01 volume 58.45630 ppm1 1.503 ppm2 1.402 >>ASSI { 23612} >> (( segid "PROT" and resid 65 and name HD2 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 23612 weight 0.1000E+01 volume 17.08770 ppm1 1.346 ppm2 1.141 >>ASSI { 23622} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 23622 weight 0.1000E+01 volume 4.48420 ppm1 0.728 ppm2 1.350 >>ASSI { 23632} >> (( segid "PROT" and resid 61 and name HG2# )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 23632 weight 0.1000E+01 volume 4.71880 ppm1 1.139 ppm2 1.346 >>ASSI { 23642} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 23642 weight 0.1000E+01 volume 11.72500 ppm1 0.356 ppm2 0.659 >>ASSI { 23652} >> (( segid "PROT" and resid 51 and name HB2 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 23652 weight 0.1000E+01 volume 4.75580 ppm1 2.689 ppm2 0.883 >>ASSI { 23682} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 23682 weight 0.1000E+01 volume 5.35370 ppm1 2.607 ppm2 0.889 >>ASSI { 23692} >> (( segid "PROT" and resid 80 and name HB1 )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 23692 weight 0.1000E+01 volume 5.86190 ppm1 2.797 ppm2 0.341 >>ASSI { 23702} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 23702 weight 0.1000E+01 volume 20.57310 ppm1 1.107 ppm2 0.343 >>ASSI { 23712} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 23712 weight 0.1000E+01 volume 9.34900 ppm1 1.236 ppm2 0.342 >>ASSI { 23722} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 23722 weight 0.1000E+01 volume 5.67930 ppm1 7.425 ppm2 1.213 >>ASSI { 23732} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 23732 weight 0.1000E+01 volume 18.06710 ppm1 2.672 ppm2 2.011 >>ASSI { 23742} >> (( segid "PROT" and resid 67 and name HA )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 23742 weight 0.1000E+01 volume 9.38970 ppm1 4.359 ppm2 2.014 >>ASSI { 23752} >> (( segid "PROT" and resid 102 and name HB2 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 23752 weight 0.1000E+01 volume 4.38250 ppm1 2.707 ppm2 1.744 >>ASSI { 23782} >> (( segid "PROT" and resid 65 and name HZ2 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 23782 weight 0.1000E+01 volume 6.32530 ppm1 6.830 ppm2 1.164 >>ASSI { 23792} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 23792 weight 0.1000E+01 volume 48.65560 ppm1 0.736 ppm2 1.469 >>ASSI { 23802} >> (( segid "PROT" and resid 38 and name HA )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 23802 weight 0.1000E+01 volume 3.45010 ppm1 4.135 ppm2 0.742 >>ASSI { 23822} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 23822 weight 0.1000E+01 volume 81.88570 ppm1 -0.369 ppm2 0.741 >>ASSI { 23832} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 23832 weight 0.1000E+01 volume 128.09019 ppm1 0.448 ppm2 0.605 >>ASSI { 23842} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 23842 weight 0.1000E+01 volume 32.90330 ppm1 0.446 ppm2 3.530 >>ASSI { 23852} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 23852 weight 0.1000E+01 volume 26.85710 ppm1 0.447 ppm2 1.023 >>ASSI { 23862} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 23862 weight 0.1000E+01 volume 2.51060 ppm1 6.154 ppm2 1.025 >>ASSI { 23872} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 23872 weight 0.1000E+01 volume 64.06300 ppm1 0.612 ppm2 0.452 >>ASSI { 23882} >> (( segid "PROT" and resid 91 and name HB2 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 23882 weight 0.1000E+01 volume 7.89540 ppm1 2.904 ppm2 0.442 >>ASSI { 23892} >> (( segid "PROT" and resid 87 and name HB2 )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 23892 weight 0.1000E+01 volume 12.95080 ppm1 2.753 ppm2 0.440 >>ASSI { 23902} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 23902 weight 0.1000E+01 volume 4.63040 ppm1 2.603 ppm2 0.722 >>ASSI { 23912} >> (( segid "PROT" and resid 67 and name HB2 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 23912 weight 0.1000E+01 volume 9.26970 ppm1 2.595 ppm2 1.225 >>ASSI { 23942} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 23942 weight 0.1000E+01 volume 19.67330 ppm1 0.747 ppm2 4.190 >>ASSI { 23952} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 23952 weight 0.1000E+01 volume 13.40330 ppm1 1.696 ppm2 4.192 >>ASSI { 23962} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 23962 weight 0.1000E+01 volume 28.14600 ppm1 0.830 ppm2 1.697 >>ASSI { 23972} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 23972 weight 0.1000E+01 volume 1.71350 ppm1 5.248 ppm2 1.113 >>ASSI { 23982} >> (( segid "PROT" and resid 90 and name HB1 )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 23982 weight 0.1000E+01 volume 19.01970 ppm1 2.138 ppm2 0.983 >>ASSI { 23992} >> (( segid "PROT" and resid 62 and name HD1# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 23992 weight 0.1000E+01 volume 21.13980 ppm1 0.348 ppm2 0.584 >>ASSI { 24002} >> (( segid "PROT" and resid 84 and name HE# )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 24002 weight 0.1000E+01 volume 6.91690 ppm1 1.239 ppm2 0.582 >>ASSI { 24012} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 24012 weight 0.1000E+01 volume 12.10270 ppm1 0.963 ppm2 1.233 >>ASSI { 24022} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 24022 weight 0.1000E+01 volume 7.70230 ppm1 0.963 ppm2 1.469 >>ASSI { 24032} >> (( segid "PROT" and resid 104 and name HB1 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 24032 weight 0.1000E+01 volume 10.92790 ppm1 2.050 ppm2 1.230 >>ASSI { 24042} >> (( segid "PROT" and resid 104 and name HB1 )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 24042 weight 0.1000E+01 volume 10.71510 ppm1 2.051 ppm2 1.479 >>ASSI { 24052} >> (( segid "PROT" and resid 104 and name HD1 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 24052 weight 0.1000E+01 volume 8.78950 ppm1 1.797 ppm2 1.243 >>ASSI { 24062} >> (( segid "PROT" and resid 104 and name HD2 )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 24062 weight 0.1000E+01 volume 13.61040 ppm1 1.627 ppm2 1.237 >>ASSI { 24072} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 24072 weight 0.1000E+01 volume 30.30110 ppm1 2.653 ppm2 0.234 >>ASSI { 24082} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 24082 weight 0.1000E+01 volume 25.72710 ppm1 2.680 ppm2 1.095 >>ASSI { 24092} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 7 and name HG2 )) >> 6 6 0 peak 24092 weight 0.1000E+01 volume 27.59470 ppm1 2.681 ppm2 0.963 >>ASSI { 24102} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 24102 weight 0.1000E+01 volume 2.87670 ppm1 7.321 ppm2 1.096 >>ASSI { 24112} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 24112 weight 0.1000E+01 volume 1.77690 ppm1 7.387 ppm2 1.108 >>ASSI { 24122} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 24122 weight 0.1000E+01 volume 6.27330 ppm1 2.667 ppm2 0.832 >>ASSI { 24142} >> (( segid "PROT" and resid 18 and name HB1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 24142 weight 0.1000E+01 volume 50.78530 ppm1 1.377 ppm2 0.732 >>ASSI { 24152} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 24152 weight 0.1000E+01 volume 12.93520 ppm1 4.421 ppm2 0.736 >>ASSI { 24162} >> (( segid "PROT" and resid 19 and name HA )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 24162 weight 0.1000E+01 volume 4.20980 ppm1 4.418 ppm2 0.829 >>ASSI { 24172} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 24172 weight 0.1000E+01 volume 6.66870 ppm1 0.506 ppm2 0.352 >>ASSI { 24202} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 24202 weight 0.1000E+01 volume 11.42940 ppm1 2.664 ppm2 0.351 >>ASSI { 24212} >> (( segid "PROT" and resid 18 and name HG )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 24212 weight 0.1000E+01 volume 4.86680 ppm1 1.555 ppm2 0.608 >>ASSI { 24222} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 24222 weight 0.1000E+01 volume 10.54410 ppm1 0.354 ppm2 0.612 >>ASSI { 24232} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 24232 weight 0.1000E+01 volume 28.06720 ppm1 0.508 ppm2 0.614 >>ASSI { 24242} >> (( segid "PROT" and resid 102 and name HB2 )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 24242 weight 0.1000E+01 volume 14.47150 ppm1 2.712 ppm2 3.043 >>ASSI { 24252} >> (( segid "PROT" and resid 116 and name HG2# )) >> (( segid "PROT" and resid 120 and name HG )) >> 6 6 0 peak 24252 weight 0.1000E+01 volume 5.94830 ppm1 0.767 ppm2 1.786 >>ASSI { 24262} >> (( segid "PROT" and resid 14 and name HA )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 24262 weight 0.1000E+01 volume 4.35350 ppm1 3.792 ppm2 1.553 >>ASSI { 24272} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 24272 weight 0.1000E+01 volume 9.84710 ppm1 0.579 ppm2 1.559 >>ASSI { 24282} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 24282 weight 0.1000E+01 volume 5.45980 ppm1 0.670 ppm2 0.391 >>ASSI { 24292} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 24292 weight 0.1000E+01 volume 4.06190 ppm1 2.606 ppm2 0.390 >>ASSI { 24312} >> (( segid "PROT" and resid 19 and name HE# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 24312 weight 0.1000E+01 volume 19.68150 ppm1 1.994 ppm2 1.083 >>ASSI { 24322} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 24322 weight 0.1000E+01 volume 27.21790 ppm1 0.444 ppm2 0.983 >>ASSI { 24332} >> (( segid "PROT" and resid 90 and name HB2 )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 24332 weight 0.1000E+01 volume 57.22740 ppm1 1.785 ppm2 1.406 >>ASSI { 24342} >> (( segid "PROT" and resid 64 and name HB1 )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 24342 weight 0.1000E+01 volume 24.52140 ppm1 2.009 ppm2 1.510 >>ASSI { 24352} >> (( segid "PROT" and resid 64 and name HB2 )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 24352 weight 0.1000E+01 volume 23.79320 ppm1 1.930 ppm2 1.504 >>ASSI { 24362} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 24362 weight 0.1000E+01 volume 14.16800 ppm1 1.224 ppm2 1.503 >>ASSI { 24392} >> (( segid "PROT" and resid 74 and name HD2 )) >> (( segid "PROT" and resid 74 and name HG2 )) >> 6 6 0 peak 24392 weight 0.1000E+01 volume 7.98020 ppm1 2.750 ppm2 1.401 >>ASSI { 24402} >> (( segid "PROT" and resid 38 and name HB1 )) >> (( segid "PROT" and resid 38 and name HG1 )) >> 6 6 0 peak 24402 weight 0.1000E+01 volume 29.49310 ppm1 2.280 ppm2 1.970 >>ASSI { 24412} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 34 and name HG2 )) >> 6 6 0 peak 24412 weight 0.1000E+01 volume 3.43550 ppm1 7.351 ppm2 1.795 >>ASSI { 24422} >> (( segid "PROT" and resid 41 and name HG2 )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 24422 weight 0.1000E+01 volume 20.79230 ppm1 1.097 ppm2 1.571 >>ASSI { 24432} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 24432 weight 0.1000E+01 volume 25.13750 ppm1 1.568 ppm2 1.092 >>ASSI { 24442} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 24442 weight 0.1000E+01 volume 3.31880 ppm1 0.564 ppm2 1.355 >>ASSI { 24452} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 24452 weight 0.1000E+01 volume 10.88250 ppm1 3.641 ppm2 2.266 >>ASSI { 24462} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 24462 weight 0.1000E+01 volume 11.51990 ppm1 3.643 ppm2 2.170 >>ASSI { 24492} >> (( segid "PROT" and resid 63 and name HG2 )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 24492 weight 0.1000E+01 volume 35.49800 ppm1 1.179 ppm2 1.488 >>ASSI { 24502} >> (( segid "PROT" and resid 63 and name HB1 )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 24502 weight 0.1000E+01 volume 54.81890 ppm1 1.991 ppm2 1.462 >>ASSI { 24512} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 24512 weight 0.1000E+01 volume 1.94470 ppm1 2.596 ppm2 1.215 >>ASSI { 24522} >> (( segid "PROT" and resid 61 and name HA )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 24522 weight 0.1000E+01 volume 10.82280 ppm1 3.884 ppm2 1.990 >>ASSI { 24532} >> (( segid "PROT" and resid 64 and name HA )) >> (( segid "PROT" and resid 64 and name HB2 )) >> 6 6 0 peak 24532 weight 0.1000E+01 volume 17.87320 ppm1 4.164 ppm2 1.974 >>ASSI { 24542} >> (( segid "PROT" and resid 100 and name HA )) >> (( segid "PROT" and resid 100 and name HD2 )) >> 6 6 0 peak 24542 weight 0.1000E+01 volume 12.43480 ppm1 4.317 ppm2 1.632 >>ASSI { 24552} >> (( segid "PROT" and resid 112 and name HA )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 24552 weight 0.1000E+01 volume 9.48960 ppm1 4.125 ppm2 1.767 >>ASSI { 24562} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 117 and name HB2 )) >> 6 6 0 peak 24562 weight 0.1000E+01 volume 14.40400 ppm1 2.599 ppm2 1.976 >>ASSI { 24572} >> (( segid "PROT" and resid 117 and name HG1 )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 24572 weight 0.1000E+01 volume 11.70550 ppm1 2.601 ppm2 2.205 >>ASSI { 24582} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 117 and name HB2 )) >> 6 6 0 peak 24582 weight 0.1000E+01 volume 5.67950 ppm1 4.308 ppm2 1.973 >>ASSI { 24622} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 34 and name HG2 )) >> 6 6 0 peak 24622 weight 0.1000E+01 volume 11.21550 ppm1 0.591 ppm2 1.820 >>ASSI { 24632} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "PROT" and resid 34 and name HG1 )) >> 6 6 0 peak 24632 weight 0.1000E+01 volume 8.38080 ppm1 0.597 ppm2 1.977 >>ASSI { 24642} >> (( segid "PROT" and resid 84 and name HG1 )) >> (( segid "PROT" and resid 84 and name HG2 )) >> 6 6 0 peak 24642 weight 0.1000E+01 volume 4.76620 ppm1 2.583 ppm2 1.823 >>ASSI { 24652} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 24652 weight 0.1000E+01 volume 2.45240 ppm1 0.237 ppm2 2.183 >>ASSI { 24662} >> (( segid "PROT" and resid 36 and name HA )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 24662 weight 0.1000E+01 volume 5.99410 ppm1 3.935 ppm2 1.897 >>ASSI { 24672} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 24672 weight 0.1000E+01 volume 1.08290 ppm1 3.049 ppm2 1.889 >>ASSI { 24682} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 35 and name HA )) >> 6 6 0 peak 24682 weight 0.1000E+01 volume 2.41880 ppm1 2.617 ppm2 4.752 >>ASSI { 24692} >> (( segid "PROT" and resid 58 and name HB1 )) >> (( segid "PROT" and resid 58 and name HA )) >> 6 6 0 peak 24692 weight 0.1000E+01 volume 8.41910 ppm1 2.590 ppm2 4.861 >>ASSI { 24702} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 73 and name HB1 )) >> 6 6 0 peak 24702 weight 0.1000E+01 volume 8.81750 ppm1 2.435 ppm2 2.167 >>ASSI { 24712} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 84 and name HG2 )) >> 6 6 0 peak 24712 weight 0.1000E+01 volume 3.67100 ppm1 7.409 ppm2 1.823 >>ASSI { 24722} >> (( segid "PROT" and resid 38 and name HA )) >> (( segid "PROT" and resid 38 and name HB1 )) >> 6 6 0 peak 24722 weight 0.1000E+01 volume 5.97680 ppm1 4.143 ppm2 2.272 >>ASSI { 24742} >> (( segid "PROT" and resid 76 and name HG2 )) >> (( segid "PROT" and resid 76 and name HG1 )) >> 6 6 0 peak 24742 weight 0.1000E+01 volume 6.65380 ppm1 1.368 ppm2 1.885 >>ASSI { 24752} >> (( segid "PROT" and resid 7 and name HE1 )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 24752 weight 0.1000E+01 volume 7.45220 ppm1 2.676 ppm2 1.600 >>ASSI { 24782} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 24782 weight 0.1000E+01 volume 6.59280 ppm1 2.664 ppm2 2.319 >>ASSI { 24792} >> (( segid "PROT" and resid 19 and name HG2 )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 24792 weight 0.1000E+01 volume 14.90250 ppm1 2.546 ppm2 2.318 >>ASSI { 24802} >> (( segid "PROT" and resid 14 and name HG )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 24802 weight 0.1000E+01 volume 3.93720 ppm1 1.555 ppm2 2.339 >>ASSI { 24812} >> (( segid "PROT" and resid 102 and name HB2 )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 24812 weight 0.1000E+01 volume 18.51910 ppm1 2.706 ppm2 3.234 >>ASSI { 24822} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 24822 weight 0.1000E+01 volume 1.72060 ppm1 0.569 ppm2 3.237 >>ASSI { 24832} >> (( segid "PROT" and resid 99 and name HA )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 24832 weight 0.1000E+01 volume 1.70400 ppm1 3.786 ppm2 3.238 >>ASSI { 24842} >> (( segid "PROT" and resid 101 and name HE1 )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 24842 weight 0.1000E+01 volume 2.06080 ppm1 7.338 ppm2 3.290 >>ASSI { 24872} >> (( segid "PROT" and resid 71 and name HB2 )) >> (( segid "PROT" and resid 71 and name HA )) >> 6 6 0 peak 24872 weight 0.1000E+01 volume 0.79590 ppm1 2.671 ppm2 4.772 >>ASSI { 24882} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 24882 weight 0.1000E+01 volume 11.87790 ppm1 2.647 ppm2 1.773 >>ASSI { 24892} >> (( segid "PROT" and resid 31 and name HA )) >> (( segid "PROT" and resid 31 and name HG2 )) >> 6 6 0 peak 24892 weight 0.1000E+01 volume 3.26620 ppm1 2.581 ppm2 1.586 >>ASSI { 24902} >> (( segid "PROT" and resid 101 and name HB2 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 24902 weight 0.1000E+01 volume 1.55790 ppm1 3.660 ppm2 2.585 >>ASSI { 24912} >> (( segid "PROT" and resid 31 and name HB1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 24912 weight 0.1000E+01 volume 3.55900 ppm1 1.634 ppm2 2.581 >>ASSI { 24922} >> (( segid "PROT" and resid 87 and name HB2 )) >> (( segid "PROT" and resid 87 and name HB1 )) >> 6 6 0 peak 24922 weight 0.1000E+01 volume 10.31730 ppm1 2.752 ppm2 3.085 >>ASSI { 24932} >> (( segid "PROT" and resid 109 and name HA )) >> (( segid "PROT" and resid 113 and name HB )) >> 6 6 0 peak 24932 weight 0.1000E+01 volume 2.61810 ppm1 4.008 ppm2 0.715 >>ASSI { 24942} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 24942 weight 0.1000E+01 volume 1.89400 ppm1 7.195 ppm2 0.705 >>ASSI { 24952} >> (( segid "PROT" and resid 49 and name HB1 )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 24952 weight 0.1000E+01 volume 3.73060 ppm1 2.739 ppm2 1.981 >>ASSI { 24962} >> (( segid "PROT" and resid 91 and name HD1 )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 24962 weight 0.1000E+01 volume 1.50860 ppm1 6.928 ppm2 3.583 >>ASSI { 24972} >> (( segid "PROT" and resid 35 and name HB2 )) >> (( segid "PROT" and resid 35 and name HB1 )) >> 6 6 0 peak 24972 weight 0.1000E+01 volume 10.10600 ppm1 2.616 ppm2 3.851 >>ASSI { 24982} >> (( segid "PROT" and resid 48 and name HB2 )) >> (( segid "PROT" and resid 48 and name HB1 )) >> 6 6 0 peak 24982 weight 0.1000E+01 volume 9.59490 ppm1 2.622 ppm2 3.125 >>ASSI { 24992} >> (( segid "PROT" and resid 102 and name HB2 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 24992 weight 0.1000E+01 volume 3.77320 ppm1 2.706 ppm2 3.778 >>ASSI { 25002} >> (( segid "PROT" and resid 92 and name HB1 )) >> (( segid "PROT" and resid 92 and name HB2 )) >> 6 6 0 peak 25002 weight 0.1000E+01 volume 9.34230 ppm1 3.075 ppm2 2.871 >>ASSI { 25012} >> (( segid "PROT" and resid 92 and name HB2 )) >> (( segid "PROT" and resid 92 and name HA )) >> 6 6 0 peak 25012 weight 0.1000E+01 volume 0.73100 ppm1 2.874 ppm2 4.682 >>ASSI { 25022} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 25022 weight 0.1000E+01 volume 5.80590 ppm1 2.863 ppm2 1.653 >>ASSI { 25032} >> (( segid "PROT" and resid 9 and name HB1 )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 25032 weight 0.1000E+01 volume 2.33150 ppm1 2.862 ppm2 1.301 >>ASSI { 25042} >> (( segid "PROT" and resid 43 and name HD1# )) >> (( segid "PROT" and resid 40 and name HB2 )) >> 6 6 0 peak 25042 weight 0.1000E+01 volume 3.31050 ppm1 0.838 ppm2 2.384 >>ASSI { 25052} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 25052 weight 0.1000E+01 volume 4.91220 ppm1 7.330 ppm2 2.675 >>ASSI { 25062} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 63 and name HE1 )) >> 6 6 0 peak 25062 weight 0.1000E+01 volume 3.81360 ppm1 3.696 ppm2 2.801 >>ASSI { 25072} >> (( segid "PROT" and resid 65 and name HZ2 )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 25072 weight 0.1000E+01 volume 2.04240 ppm1 6.790 ppm2 1.761 >>ASSI { 25082} >> (( segid "PROT" and resid 114 and name HB2 )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 25082 weight 0.1000E+01 volume 19.86840 ppm1 2.690 ppm2 3.513 >>ASSI { 25092} >> (( segid "PROT" and resid 29 and name HB1 )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 25092 weight 0.1000E+01 volume 2.48940 ppm1 2.785 ppm2 4.721 >>ASSI { 25102} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 25102 weight 0.1000E+01 volume 1.66240 ppm1 2.437 ppm2 4.613 >>ASSI { 25112} >> (( segid "PROT" and resid 48 and name HB2 )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 25112 weight 0.1000E+01 volume 6.54580 ppm1 2.630 ppm2 4.603 >>ASSI { 25122} >> (( segid "PROT" and resid 10 and name HD1 )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 25122 weight 0.1000E+01 volume 1.05930 ppm1 1.767 ppm2 4.683 >>ASSI { 25132} >> (( segid "PROT" and resid 109 and name HB1 )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 25132 weight 0.1000E+01 volume 5.98930 ppm1 3.327 ppm2 3.433 >>ASSI { 25142} >> (( segid "PROT" and resid 17 and name HB# )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 25142 weight 0.1000E+01 volume 7.76940 ppm1 1.363 ppm2 4.186 >>ASSI { 25152} >> (( segid "PROT" and resid 87 and name HB2 )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 25152 weight 0.1000E+01 volume 13.58930 ppm1 2.749 ppm2 4.456 >>ASSI { 25162} >> (( segid "PROT" and resid 90 and name HG )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 25162 weight 0.1000E+01 volume 3.63720 ppm1 1.406 ppm2 4.447 >>ASSI { 25172} >> (( segid "PROT" and resid 51 and name HB2 )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 25172 weight 0.1000E+01 volume 16.19380 ppm1 2.682 ppm2 4.458 >>ASSI { 25182} >> (( segid "PROT" and resid 86 and name HB2 )) >> (( segid "PROT" and resid 86 and name HA )) >> 6 6 0 peak 25182 weight 0.1000E+01 volume 1.50550 ppm1 2.886 ppm2 4.805 >>ASSI { 25192} >> (( segid "PROT" and resid 79 and name HB2 )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 25192 weight 0.1000E+01 volume 7.25300 ppm1 2.710 ppm2 4.550 >>ASSI { 25212} >> (( segid "PROT" and resid 79 and name HB2 )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 25212 weight 0.1000E+01 volume 6.35490 ppm1 2.701 ppm2 3.880 >>ASSI { 25222} >> (( segid "PROT" and resid 118 and name HB2 )) >> (( segid "PROT" and resid 118 and name HA )) >> 6 6 0 peak 25222 weight 0.1000E+01 volume 23.56060 ppm1 2.062 ppm2 4.119 >>ASSI { 25232} >> (( segid "PROT" and resid 99 and name HE1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 25232 weight 0.1000E+01 volume 3.83450 ppm1 7.026 ppm2 2.177 >>ASSI { 25242} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 25242 weight 0.1000E+01 volume 3.56190 ppm1 2.671 ppm2 4.424 >>ASSI { 25252} >> (( segid "PROT" and resid 67 and name HB2 )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 25252 weight 0.1000E+01 volume 10.75260 ppm1 2.596 ppm2 4.169 >>ASSI { 25262} >> (( segid "PROT" and resid 64 and name HB1 )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 25262 weight 0.1000E+01 volume 23.37780 ppm1 1.938 ppm2 4.160 >>ASSI { 25272} >> (( segid "PROT" and resid 84 and name HG1 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 25272 weight 0.1000E+01 volume 4.91500 ppm1 2.582 ppm2 3.648 >>ASSI { 25282} >> (( segid "PROT" and resid 87 and name HB1 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 25282 weight 0.1000E+01 volume 2.59090 ppm1 3.078 ppm2 3.651 >>ASSI { 25292} >> (( segid "PROT" and resid 87 and name HB2 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 25292 weight 0.1000E+01 volume 1.12750 ppm1 2.747 ppm2 3.651 >>ASSI { 25302} >> (( segid "PROT" and resid 84 and name HG2 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 25302 weight 0.1000E+01 volume 4.27920 ppm1 1.836 ppm2 3.658 >>ASSI { 25312} >> (( segid "PROT" and resid 84 and name HB2 )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 25312 weight 0.1000E+01 volume 8.81800 ppm1 1.234 ppm2 3.642 >>ASSI { 25322} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 25322 weight 0.1000E+01 volume 5.82030 ppm1 2.498 ppm2 3.980 >>ASSI { 25332} >> (( segid "PROT" and resid 91 and name HB2 )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 25332 weight 0.1000E+01 volume 14.68640 ppm1 2.903 ppm2 4.004 >>ASSI { 25342} >> (( segid "PROT" and resid 91 and name HB1 )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 25342 weight 0.1000E+01 volume 5.36340 ppm1 2.979 ppm2 4.006 >>ASSI { 25352} >> (( segid "PROT" and resid 52 and name HB )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 25352 weight 0.1000E+01 volume 0.61060 ppm1 1.826 ppm2 3.536 >>ASSI { 25362} >> (( segid "PROT" and resid 58 and name HB1 )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 25362 weight 0.1000E+01 volume 3.06930 ppm1 2.597 ppm2 4.141 >>ASSI { 25372} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 25372 weight 0.1000E+01 volume 1.85200 ppm1 0.736 ppm2 4.138 >>ASSI { 25382} >> (( segid "PROT" and resid 38 and name HA )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 25382 weight 0.1000E+01 volume 1.60870 ppm1 4.139 ppm2 2.601 >>ASSI { 25392} >> (( segid "PROT" and resid 38 and name HA )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 25392 weight 0.1000E+01 volume 0.16690 ppm1 4.133 ppm2 2.305 >>ASSI { 25402} >> (( segid "PROT" and resid 41 and name HB1 )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 25402 weight 0.1000E+01 volume 2.91930 ppm1 2.309 ppm2 4.051 >>ASSI { 25412} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 32 and name HB2 )) >> 6 6 0 peak 25412 weight 0.1000E+01 volume 1.01840 ppm1 0.398 ppm2 3.656 >>ASSI { 25422} >> (( segid "PROT" and resid 62 and name HG2# )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 25422 weight 0.1000E+01 volume 3.03390 ppm1 1.111 ppm2 2.476 >>ASSI { 25432} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 21 and name HB )) >> 6 6 0 peak 25432 weight 0.1000E+01 volume 2.44900 ppm1 1.038 ppm2 4.194 >>ASSI { 25442} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 25442 weight 0.1000E+01 volume 19.27600 ppm1 2.669 ppm2 2.228 >>ASSI { 25452} >> (( segid "PROT" and resid 31 and name HA )) >> (( segid "PROT" and resid 31 and name HB1 )) >> 6 6 0 peak 25452 weight 0.1000E+01 volume 3.03560 ppm1 2.589 ppm2 1.632 >>ASSI { 25462} >> (( segid "PROT" and resid 38 and name HD2 )) >> (( segid "PROT" and resid 37 and name HB1 )) >> 6 6 0 peak 25462 weight 0.1000E+01 volume 4.31960 ppm1 3.469 ppm2 2.194 >>ASSI { 25472} >> (( segid "PROT" and resid 38 and name HD2 )) >> (( segid "PROT" and resid 38 and name HB2 )) >> 6 6 0 peak 25472 weight 0.1000E+01 volume 0.23860 ppm1 3.449 ppm2 1.648 >>ASSI { 25482} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 25482 weight 0.1000E+01 volume 5.75790 ppm1 -0.366 ppm2 0.823 >>ASSI { 25492} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 25492 weight 0.1000E+01 volume 5.59400 ppm1 6.152 ppm2 1.471 >>ASSI { 25502} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 25502 weight 0.1000E+01 volume 1.37350 ppm1 0.447 ppm2 4.134 >>ASSI { 25512} >> (( segid "PROT" and resid 49 and name HE1 )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 25512 weight 0.1000E+01 volume 2.48720 ppm1 6.155 ppm2 2.136 >>ASSI { 25522} >> (( segid "PROT" and resid 51 and name HA )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 25522 weight 0.1000E+01 volume 2.36120 ppm1 4.463 ppm2 0.880 >>ASSI { 25532} >> (( segid "PROT" and resid 48 and name HB2 )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 25532 weight 0.1000E+01 volume 7.19500 ppm1 2.642 ppm2 0.882 >>ASSI { 25542} >> (( segid "PROT" and resid 6 and name HG2 )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 25542 weight 0.1000E+01 volume 8.04000 ppm1 1.282 ppm2 0.824 >>ASSI { 25572} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 25572 weight 0.1000E+01 volume 1.32300 ppm1 -0.256 ppm2 0.883 >>ASSI { 25582} >> (( segid "PROT" and resid 74 and name HA )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 25582 weight 0.1000E+01 volume 2.63010 ppm1 3.777 ppm2 1.470 >>ASSI { 25612} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 25612 weight 0.1000E+01 volume 1.54740 ppm1 0.663 ppm2 1.469 >>ASSI { 25622} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 25622 weight 0.1000E+01 volume 0.86500 ppm1 0.241 ppm2 1.475 >>ASSI { 25632} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 25632 weight 0.1000E+01 volume 1.85660 ppm1 6.611 ppm2 2.013 >>ASSI { 25642} >> (( segid "PROT" and resid 19 and name HG2 )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 25642 weight 0.1000E+01 volume 9.23690 ppm1 2.555 ppm2 2.017 >>ASSI { 25652} >> (( segid "PROT" and resid 66 and name HG )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 25652 weight 0.1000E+01 volume 10.89450 ppm1 1.750 ppm2 2.017 >>ASSI { 25662} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 25662 weight 0.1000E+01 volume 2.67010 ppm1 0.387 ppm2 1.223 >>ASSI { 25672} >> (( segid "PROT" and resid 108 and name HA )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 25672 weight 0.1000E+01 volume 2.22930 ppm1 3.639 ppm2 1.409 >>ASSI { 25682} >> (( segid "PROT" and resid 108 and name HB )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 25682 weight 0.1000E+01 volume 2.43230 ppm1 2.140 ppm2 1.410 >>ASSI { 25692} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 25692 weight 0.1000E+01 volume 7.28410 ppm1 0.955 ppm2 1.411 >>ASSI { 25712} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 25712 weight 0.1000E+01 volume 2.46610 ppm1 7.886 ppm2 0.918 >>ASSI { 25722} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 25722 weight 0.1000E+01 volume 4.20140 ppm1 2.498 ppm2 0.918 >>ASSI { 25732} >> (( segid "PROT" and resid 73 and name HG1 )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 25732 weight 0.1000E+01 volume 3.58250 ppm1 2.442 ppm2 0.858 >>ASSI { 25742} >> (( segid "PROT" and resid 73 and name HG2 )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 25742 weight 0.1000E+01 volume 1.72080 ppm1 2.247 ppm2 0.860 >>ASSI { 25752} >> (( segid "PROT" and resid 85 and name HB1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 25752 weight 0.1000E+01 volume 4.40080 ppm1 2.518 ppm2 1.744 >>ASSI { 25762} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 25762 weight 0.1000E+01 volume 5.32240 ppm1 0.235 ppm2 1.169 >>ASSI { 25792} >> (( segid "PROT" and resid 81 and name HB )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 25792 weight 0.1000E+01 volume 5.01040 ppm1 0.842 ppm2 1.167 >>ASSI { 25802} >> (( segid "PROT" and resid 80 and name HB1 )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 25802 weight 0.1000E+01 volume 2.27190 ppm1 2.790 ppm2 1.169 >>ASSI { 25822} >> (( segid "PROT" and resid 116 and name HA )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 25822 weight 0.1000E+01 volume 3.93010 ppm1 3.683 ppm2 1.335 >>ASSI { 25862} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 25862 weight 0.1000E+01 volume 2.03470 ppm1 7.476 ppm2 0.712 >>ASSI { 25872} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 25872 weight 0.1000E+01 volume 1.94330 ppm1 7.722 ppm2 0.717 >>ASSI { 25882} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 25882 weight 0.1000E+01 volume 6.24590 ppm1 2.059 ppm2 0.725 >>ASSI { 25892} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 25892 weight 0.1000E+01 volume 6.73910 ppm1 1.038 ppm2 0.718 >>ASSI { 25902} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 25902 weight 0.1000E+01 volume 0.77680 ppm1 -1.493 ppm2 0.718 >>ASSI { 25912} >> (( segid "PROT" and resid 41 and name HD1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 25912 weight 0.1000E+01 volume 5.16440 ppm1 3.800 ppm2 -0.367 >>ASSI { 25922} >> (( segid "PROT" and resid 49 and name HD1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 25922 weight 0.1000E+01 volume 3.49580 ppm1 5.422 ppm2 -0.371 >>ASSI { 25932} >> (( segid "PROT" and resid 49 and name HB1 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 25932 weight 0.1000E+01 volume 1.97970 ppm1 2.769 ppm2 -0.370 >>ASSI { 25942} >> (( segid "PROT" and resid 49 and name HB2 )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 25942 weight 0.1000E+01 volume 2.18700 ppm1 1.979 ppm2 -0.369 >>ASSI { 25962} >> (( segid "PROT" and resid 106 and name HA )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 25962 weight 0.1000E+01 volume 2.86600 ppm1 3.418 ppm2 -1.498 >>ASSI { 25972} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 25972 weight 0.1000E+01 volume 1.48330 ppm1 6.615 ppm2 -1.494 >>ASSI { 25982} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 25982 weight 0.1000E+01 volume 2.59310 ppm1 7.474 ppm2 -1.492 >>ASSI { 25992} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 25992 weight 0.1000E+01 volume 1.44200 ppm1 7.476 ppm2 -0.254 >>ASSI { 26002} >> (( segid "PROT" and resid 15 and name HA )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 26002 weight 0.1000E+01 volume 2.25830 ppm1 3.680 ppm2 0.508 >>ASSI { 26012} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 26012 weight 0.1000E+01 volume 3.10370 ppm1 2.650 ppm2 0.506 >>ASSI { 26022} >> (( segid "PROT" and resid 116 and name HB )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 26022 weight 0.1000E+01 volume 2.42910 ppm1 2.070 ppm2 0.510 >>ASSI { 26032} >> (( segid "PROT" and resid 21 and name HG2# )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 26032 weight 0.1000E+01 volume 10.50310 ppm1 1.312 ppm2 0.506 >>ASSI { 26042} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 26042 weight 0.1000E+01 volume 32.70560 ppm1 0.660 ppm2 0.775 >>ASSI { 26052} >> (( segid "PROT" and resid 120 and name HA )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 26052 weight 0.1000E+01 volume 2.02120 ppm1 4.435 ppm2 0.769 >>ASSI { 26082} >> (( segid "PROT" and resid 65 and name HE1 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 26082 weight 0.1000E+01 volume 2.97960 ppm1 2.391 ppm2 1.138 >>ASSI { 26092} >> (( segid "PROT" and resid 65 and name HG2 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 26092 weight 0.1000E+01 volume 6.95210 ppm1 0.732 ppm2 1.133 >>ASSI { 26102} >> (( segid "PROT" and resid 65 and name HB2 )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 26102 weight 0.1000E+01 volume 3.53230 ppm1 0.564 ppm2 1.137 >>ASSI { 26112} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 26112 weight 0.1000E+01 volume 4.89860 ppm1 4.360 ppm2 0.825 >>ASSI { 26122} >> (( segid "PROT" and resid 43 and name HA )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 26122 weight 0.1000E+01 volume 1.87200 ppm1 4.010 ppm2 0.819 >>ASSI { 26172} >> (( segid "PROT" and resid 105 and name HD1# )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 26172 weight 0.1000E+01 volume 3.75830 ppm1 0.394 ppm2 0.959 >>ASSI { 26182} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 26182 weight 0.1000E+01 volume 3.83700 ppm1 -0.256 ppm2 1.262 >>ASSI { 26192} >> (( segid "PROT" and resid 77 and name HD1 )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 26192 weight 0.1000E+01 volume 2.65890 ppm1 6.734 ppm2 1.268 >>ASSI { 26212} >> (( segid "PROT" and resid 35 and name HZ )) >> (( segid "PROT" and resid 98 and name HG1# )) >> 6 6 0 peak 26212 weight 0.1000E+01 volume 5.09730 ppm1 7.034 ppm2 0.817 >>ASSI { 26222} >> (( segid "PROT" and resid 35 and name HE1 )) >> (( segid "PROT" and resid 98 and name HG1# )) >> 6 6 0 peak 26222 weight 0.1000E+01 volume 6.91380 ppm1 7.358 ppm2 0.811 >>ASSI { 26232} >> (( segid "PROT" and resid 119 and name HB1 )) >> (( segid "PROT" and resid 120 and name HD2# )) >> 6 6 0 peak 26232 weight 0.1000E+01 volume 1.88060 ppm1 4.031 ppm2 0.659 >>ASSI { 26242} >> (( segid "PROT" and resid 98 and name HA )) >> (( segid "PROT" and resid 98 and name HG1# )) >> 6 6 0 peak 26242 weight 0.1000E+01 volume 7.33340 ppm1 3.286 ppm2 0.815 >>ASSI { 26252} >> (( segid "PROT" and resid 98 and name HA )) >> (( segid "PROT" and resid 98 and name HB )) >> 6 6 0 peak 26252 weight 0.1000E+01 volume 2.96820 ppm1 3.290 ppm2 1.661 >>ASSI { 26292} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 26292 weight 0.1000E+01 volume 2.76000 ppm1 -1.493 ppm2 1.108 >>ASSI { 26302} >> (( segid "PROT" and resid 117 and name HG2 )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 26302 weight 0.1000E+01 volume 4.96990 ppm1 2.507 ppm2 1.112 >>ASSI { 26312} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 26312 weight 0.1000E+01 volume 3.87960 ppm1 4.310 ppm2 1.106 >>ASSI { 26342} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 26342 weight 0.1000E+01 volume 7.41110 ppm1 7.189 ppm2 0.897 >>ASSI { 26362} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 26362 weight 0.1000E+01 volume 1.86840 ppm1 0.238 ppm2 0.896 >>ASSI { 26382} >> (( segid "PROT" and resid 77 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 26382 weight 0.1000E+01 volume 20.60780 ppm1 2.670 ppm2 0.262 >>ASSI { 26392} >> (( segid "PROT" and resid 13 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 26392 weight 0.1000E+01 volume 4.00850 ppm1 2.431 ppm2 0.266 >>ASSI { 26402} >> (( segid "PROT" and resid 13 and name HB2 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 26402 weight 0.1000E+01 volume 7.09220 ppm1 2.196 ppm2 0.265 >>ASSI { 26412} >> (( segid "PROT" and resid 74 and name HB1 )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 26412 weight 0.1000E+01 volume 27.24390 ppm1 1.783 ppm2 0.262 >>ASSI { 26422} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 26422 weight 0.1000E+01 volume 2.03200 ppm1 5.090 ppm2 0.856 >>ASSI { 26432} >> (( segid "PROT" and resid 105 and name HD2# )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 26432 weight 0.1000E+01 volume 1.67800 ppm1 0.570 ppm2 1.477 >>ASSI { 26442} >> (( segid "PROT" and resid 63 and name HA )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 26442 weight 0.1000E+01 volume 3.56310 ppm1 3.702 ppm2 1.101 >>ASSI { 26462} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 26462 weight 0.1000E+01 volume 2.41580 ppm1 -1.492 ppm2 1.101 >>ASSI { 26472} >> (( segid "PROT" and resid 25 and name HG )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 26472 weight 0.1000E+01 volume 3.55390 ppm1 2.380 ppm2 1.102 >>ASSI { 26502} >> (( segid "PROT" and resid 30 and name HD1 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 26502 weight 0.1000E+01 volume 3.22450 ppm1 3.350 ppm2 0.974 >>ASSI { 26512} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 26512 weight 0.1000E+01 volume 1.68580 ppm1 3.205 ppm2 0.974 >>ASSI { 26522} >> (( segid "PROT" and resid 36 and name HD2 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 26522 weight 0.1000E+01 volume 2.67690 ppm1 3.046 ppm2 0.971 >>ASSI { 26532} >> (( segid "PROT" and resid 29 and name HB1 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 26532 weight 0.1000E+01 volume 2.41390 ppm1 2.780 ppm2 0.970 >>ASSI { 26542} >> (( segid "PROT" and resid 29 and name HB2 )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 26542 weight 0.1000E+01 volume 6.08120 ppm1 2.252 ppm2 0.968 >>ASSI { 26582} >> (( segid "PROT" and resid 25 and name HB1 )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 26582 weight 0.1000E+01 volume 3.91570 ppm1 2.297 ppm2 0.235 >>ASSI { 26592} >> (( segid "PROT" and resid 25 and name HD2# )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 26592 weight 0.1000E+01 volume 3.25260 ppm1 0.890 ppm2 0.231 >>ASSI { 26602} >> (( segid "PROT" and resid 41 and name HA )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 26602 weight 0.1000E+01 volume 1.70800 ppm1 3.646 ppm2 1.697 >>ASSI { 26612} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 26612 weight 0.1000E+01 volume 3.57270 ppm1 7.127 ppm2 1.593 >>ASSI { 26622} >> (( segid "PROT" and resid 18 and name HD2# )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 26622 weight 0.1000E+01 volume 7.82020 ppm1 0.510 ppm2 0.730 >>ASSI { 26632} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 26632 weight 0.1000E+01 volume 4.48540 ppm1 2.774 ppm2 0.741 >>ASSI { 26642} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 26642 weight 0.1000E+01 volume 8.02890 ppm1 2.666 ppm2 0.741 >>ASSI { 26652} >> (( segid "PROT" and resid 19 and name HG2 )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 26652 weight 0.1000E+01 volume 1.99900 ppm1 2.557 ppm2 0.741 >>ASSI { 26672} >> (( segid "PROT" and resid 55 and name HA )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 26672 weight 0.1000E+01 volume 2.32530 ppm1 5.246 ppm2 0.887 >>ASSI { 26682} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 26682 weight 0.1000E+01 volume 1.60200 ppm1 6.608 ppm2 1.547 >>ASSI { 26692} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 22 and name HD1# )) >> 6 6 0 peak 26692 weight 0.1000E+01 volume 2.06690 ppm1 0.234 ppm2 1.089 >>ASSI { 26702} >> (( segid "PROT" and resid 81 and name HG1# )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 26702 weight 0.1000E+01 volume 0.74580 ppm1 -0.255 ppm2 1.090 >>ASSI { 26712} >> (( segid "PROT" and resid 101 and name HZ )) >> (( segid "PROT" and resid 97 and name HG2 )) >> 6 6 0 peak 26712 weight 0.1000E+01 volume 2.85960 ppm1 7.137 ppm2 0.663 >>ASSI { 26722} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 26722 weight 0.1000E+01 volume 3.47900 ppm1 7.330 ppm2 1.402 >>ASSI { 26732} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 26732 weight 0.1000E+01 volume 23.28610 ppm1 0.746 ppm2 1.699 >>ASSI { 26742} >> (( segid "PROT" and resid 40 and name HB1 )) >> (( segid "PROT" and resid 43 and name HG )) >> 6 6 0 peak 26742 weight 0.1000E+01 volume 4.75960 ppm1 2.936 ppm2 1.498 >>ASSI { 26752} >> (( segid "PROT" and resid 40 and name HB2 )) >> (( segid "PROT" and resid 43 and name HG )) >> 6 6 0 peak 26752 weight 0.1000E+01 volume 5.64820 ppm1 2.382 ppm2 1.490 >>ASSI { 26762} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 26762 weight 0.1000E+01 volume 1.53930 ppm1 2.260 ppm2 3.619 >>ASSI { 26772} >> (( segid "PROT" and resid 78 and name HB )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 26772 weight 0.1000E+01 volume 2.02220 ppm1 2.273 ppm2 3.277 >>ASSI { 26782} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 26782 weight 0.1000E+01 volume 2.88310 ppm1 -0.368 ppm2 1.574 >>ASSI { 26792} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 104 and name HD2 )) >> 6 6 0 peak 26792 weight 0.1000E+01 volume 3.39610 ppm1 7.098 ppm2 1.621 >>ASSI { 26812} >> (( segid "PROT" and resid 114 and name HB2 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 26812 weight 0.1000E+01 volume 14.44850 ppm1 2.689 ppm2 2.044 >>ASSI { 26822} >> (( segid "PROT" and resid 114 and name HB1 )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 26822 weight 0.1000E+01 volume 5.60100 ppm1 2.840 ppm2 2.045 >>ASSI { 26832} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 115 and name HG1 )) >> 6 6 0 peak 26832 weight 0.1000E+01 volume 16.21050 ppm1 1.038 ppm2 2.039 >>ASSI { 26842} >> (( segid "PROT" and resid 82 and name HE3 )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 26842 weight 0.1000E+01 volume 1.64690 ppm1 7.896 ppm2 3.106 >>ASSI { 26852} >> (( segid "PROT" and resid 70 and name HG1 )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 26852 weight 0.1000E+01 volume 6.00170 ppm1 2.266 ppm2 1.085 >>ASSI { 26862} >> (( segid "PROT" and resid 65 and name HA )) >> (( segid "PROT" and resid 65 and name HD1 )) >> 6 6 0 peak 26862 weight 0.1000E+01 volume 1.66790 ppm1 3.415 ppm2 1.539 >>ASSI { 26872} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 26872 weight 0.1000E+01 volume 1.51600 ppm1 0.958 ppm2 2.268 >>ASSI { 26882} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 26882 weight 0.1000E+01 volume 2.34050 ppm1 0.866 ppm2 2.271 >>ASSI { 26892} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HD1 )) >> 6 6 0 peak 26892 weight 0.1000E+01 volume 2.57960 ppm1 7.120 ppm2 1.699 >>ASSI { 26902} >> (( segid "PROT" and resid 101 and name HD1 )) >> (( segid "PROT" and resid 100 and name HD2 )) >> 6 6 0 peak 26902 weight 0.1000E+01 volume 1.01950 ppm1 7.123 ppm2 1.646 >>ASSI { 26912} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 26912 weight 0.1000E+01 volume 4.44960 ppm1 7.334 ppm2 2.404 >>ASSI { 26922} >> (( segid "PROT" and resid 9 and name HD1 )) >> (( segid "PROT" and resid 13 and name HB2 )) >> 6 6 0 peak 26922 weight 0.1000E+01 volume 4.49870 ppm1 7.326 ppm2 2.200 >>ASSI { 26932} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 26932 weight 0.1000E+01 volume 2.00600 ppm1 7.717 ppm2 2.155 >>ASSI { 26942} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 26942 weight 0.1000E+01 volume 2.25430 ppm1 7.486 ppm2 2.204 >>ASSI { 26952} >> (( segid "PROT" and resid 82 and name HH2 )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 26952 weight 0.1000E+01 volume 0.93760 ppm1 7.493 ppm2 2.378 >>ASSI { 26962} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 26962 weight 0.1000E+01 volume 3.36610 ppm1 0.736 ppm2 1.861 >>ASSI { 26972} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 26972 weight 0.1000E+01 volume 2.31490 ppm1 7.185 ppm2 0.869 >>ASSI { 26982} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 26982 weight 0.1000E+01 volume 6.50340 ppm1 0.836 ppm2 1.863 >>ASSI { 27002} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HB1 )) >> 6 6 0 peak 27002 weight 0.1000E+01 volume 1.01800 ppm1 0.236 ppm2 2.117 >>ASSI { 27012} >> (( segid "PROT" and resid 36 and name HD1 )) >> (( segid "PROT" and resid 36 and name HB1 )) >> 6 6 0 peak 27012 weight 0.1000E+01 volume 2.19090 ppm1 3.205 ppm2 2.129 >>ASSI { 27022} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 27022 weight 0.1000E+01 volume 1.97530 ppm1 0.233 ppm2 3.193 >>ASSI { 27032} >> (( segid "PROT" and resid 59 and name HD1# )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 27032 weight 0.1000E+01 volume 1.24110 ppm1 0.238 ppm2 3.050 >>ASSI { 27042} >> (( segid "PROT" and resid 26 and name HE1 )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 27042 weight 0.1000E+01 volume 1.08520 ppm1 6.613 ppm2 1.904 >>ASSI { 27052} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 27052 weight 0.1000E+01 volume 2.68880 ppm1 1.037 ppm2 1.855 >>ASSI { 27062} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 27062 weight 0.1000E+01 volume 1.22980 ppm1 1.037 ppm2 2.273 >>ASSI { 27072} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 27072 weight 0.1000E+01 volume 2.68210 ppm1 2.828 ppm2 2.040 >>ASSI { 27082} >> (( segid "PROT" and resid 75 and name HE3 )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 27082 weight 0.1000E+01 volume 2.33290 ppm1 7.543 ppm2 2.264 >>ASSI { 27092} >> (( segid "PROT" and resid 82 and name HD1 )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 27092 weight 0.1000E+01 volume 3.26910 ppm1 7.475 ppm2 2.264 >>ASSI { 27112} >> (( segid "PROT" and resid 99 and name HD1 )) >> (( segid "PROT" and resid 94 and name HB1 )) >> 6 6 0 peak 27112 weight 0.1000E+01 volume 6.06680 ppm1 7.120 ppm2 1.389 >>ASSI { 27122} >> (( segid "PROT" and resid 99 and name HE1 )) >> (( segid "PROT" and resid 94 and name HB1 )) >> 6 6 0 peak 27122 weight 0.1000E+01 volume 3.97070 ppm1 7.029 ppm2 1.388 >>ASSI { 27132} >> (( segid "PROT" and resid 108 and name HG2# )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 27132 weight 0.1000E+01 volume 4.93780 ppm1 0.885 ppm2 2.807 >>ASSI { 27142} >> (( segid "PROT" and resid 28 and name HA )) >> (( segid "PROT" and resid 28 and name HB2 )) >> 6 6 0 peak 27142 weight 0.1000E+01 volume 14.30950 ppm1 4.115 ppm2 2.049 >>ASSI { 27162} >> (( segid "PROT" and resid 56 and name HD1 )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 27162 weight 0.1000E+01 volume 2.57870 ppm1 3.692 ppm2 2.438 >>ASSI { 27172} >> (( segid "PROT" and resid 41 and name HD2 )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 27172 weight 0.1000E+01 volume 2.81020 ppm1 3.725 ppm2 1.735 >>ASSI { 27192} >> (( segid "PROT" and resid 6 and name HE1 )) >> (( segid "PROT" and resid 6 and name HB1 )) >> 6 6 0 peak 27192 weight 0.1000E+01 volume 11.63550 ppm1 2.929 ppm2 1.756 >>ASSI { 27202} >> (( segid "PROT" and resid 6 and name HG2 )) >> (( segid "PROT" and resid 6 and name HB1 )) >> 6 6 0 peak 27202 weight 0.1000E+01 volume 31.33970 ppm1 1.300 ppm2 1.759 >>ASSI { 27212} >> (( segid "PROT" and resid 6 and name HG1 )) >> (( segid "PROT" and resid 6 and name HB1 )) >> 6 6 0 peak 27212 weight 0.1000E+01 volume 11.80130 ppm1 1.390 ppm2 1.725 >>ASSI { 27222} >> (( segid "PROT" and resid 6 and name HE1 )) >> (( segid "PROT" and resid 6 and name HA )) >> 6 6 0 peak 27222 weight 0.1000E+01 volume 6.11840 ppm1 2.926 ppm2 4.271 >>ASSI { 27232} >> (( segid "PROT" and resid 6 and name HG1 )) >> (( segid "PROT" and resid 6 and name HA )) >> 6 6 0 peak 27232 weight 0.1000E+01 volume 24.68540 ppm1 1.384 ppm2 4.272 >>ASSI { 27252} >> (( segid "PROT" and resid 41 and name HB2 )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 27252 weight 0.1000E+01 volume 4.46550 ppm1 1.732 ppm2 2.362 >>ASSI { 27262} >> (( segid "PROT" and resid 41 and name HG1 )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 27262 weight 0.1000E+01 volume 3.55580 ppm1 1.580 ppm2 2.363 >>ASSI { 27282} >> (( segid "PROT" and resid 68 and name HG2# )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 27282 weight 0.1000E+01 volume 5.14050 ppm1 1.224 ppm2 2.239 >>ASSI { 27292} >> (( segid "PROT" and resid 14 and name HD1# )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 27292 weight 0.1000E+01 volume 1.81570 ppm1 0.353 ppm2 2.430 >>ASSI { 27302} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 27302 weight 0.1000E+01 volume 0.78020 ppm1 0.266 ppm2 2.423 >>ASSI { 27322} >> (( segid "PROT" and resid 74 and name HD1 )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 27322 weight 0.1000E+01 volume 1.86800 ppm1 3.758 ppm2 2.247 >>ASSI { 27332} >> (( segid "PROT" and resid 75 and name HZ2 )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 27332 weight 0.1000E+01 volume 2.39390 ppm1 7.476 ppm2 2.433 >>ASSI { 27342} >> (( segid "PROT" and resid 75 and name HZ2 )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 27342 weight 0.1000E+01 volume 2.33480 ppm1 7.474 ppm2 2.247 >>ASSI { 27352} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 27352 weight 0.1000E+01 volume 4.59560 ppm1 0.956 ppm2 2.209 >>ASSI { 27362} >> (( segid "PROT" and resid 108 and name HG1# )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 27362 weight 0.1000E+01 volume 2.25050 ppm1 0.953 ppm2 2.493 >>ASSI { 27372} >> (( segid "PROT" and resid 10 and name HD1 )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 27372 weight 0.1000E+01 volume 3.71640 ppm1 1.767 ppm2 2.339 >>ASSI { 27382} >> (( segid "PROT" and resid 120 and name HD2# )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 27382 weight 0.1000E+01 volume 0.67550 ppm1 0.659 ppm2 2.355 >>ASSI { 27392} >> (( segid "PROT" and resid 14 and name HD2# )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 27392 weight 0.1000E+01 volume 1.60470 ppm1 0.267 ppm2 2.358 >>ASSI { 27402} >> (( segid "PROT" and resid 10 and name HE1 )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 27402 weight 0.1000E+01 volume 2.15070 ppm1 3.006 ppm2 2.341 >>ASSI { 27412} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 27412 weight 0.1000E+01 volume 2.91200 ppm1 2.892 ppm2 2.326 >>ASSI { 27422} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 27422 weight 0.1000E+01 volume 4.19700 ppm1 2.892 ppm2 2.116 >>ASSI { 27432} >> (( segid "PROT" and resid 19 and name HG1 )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 27432 weight 0.1000E+01 volume 2.06070 ppm1 2.681 ppm2 2.129 >>ASSI { 27462} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 87 and name HB1 )) >> 6 6 0 peak 27462 weight 0.1000E+01 volume 3.22560 ppm1 0.612 ppm2 3.090 >>ASSI { 27472} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 27472 weight 0.1000E+01 volume 2.48090 ppm1 0.613 ppm2 2.754 >>ASSI { 27482} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 27482 weight 0.1000E+01 volume 3.04610 ppm1 4.108 ppm2 2.850 >>ASSI { 27492} >> (( segid "PROT" and resid 111 and name HA )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 27492 weight 0.1000E+01 volume 3.40160 ppm1 4.109 ppm2 2.685 >>ASSI { 27502} >> (( segid "PROT" and resid 113 and name HG2# )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 27502 weight 0.1000E+01 volume 3.03070 ppm1 0.724 ppm2 2.694 >>ASSI { 27512} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 27512 weight 0.1000E+01 volume 0.77660 ppm1 6.614 ppm2 1.695 >>ASSI { 27522} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 27522 weight 0.1000E+01 volume 3.10750 ppm1 7.431 ppm2 2.636 >>ASSI { 27532} >> (( segid "PROT" and resid 35 and name HD1 )) >> (( segid "PROT" and resid 35 and name HB1 )) >> 6 6 0 peak 27532 weight 0.1000E+01 volume 2.49740 ppm1 7.424 ppm2 3.856 >>ASSI { 27542} >> (( segid "PROT" and resid 49 and name HB2 )) >> (( segid "PROT" and resid 49 and name HB1 )) >> 6 6 0 peak 27542 weight 0.1000E+01 volume 3.06430 ppm1 1.981 ppm2 2.781 >>ASSI { 27552} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 27552 weight 0.1000E+01 volume 2.29240 ppm1 0.673 ppm2 3.353 >>ASSI { 27562} >> (( segid "PROT" and resid 25 and name HD1# )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 27562 weight 0.1000E+01 volume 1.09440 ppm1 0.676 ppm2 3.072 >>ASSI { 27572} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 27572 weight 0.1000E+01 volume 1.33190 ppm1 0.450 ppm2 3.572 >>ASSI { 27582} >> (( segid "PROT" and resid 83 and name HG )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 27582 weight 0.1000E+01 volume 3.59830 ppm1 1.407 ppm2 2.724 >>ASSI { 27592} >> (( segid "PROT" and resid 83 and name HB1 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 27592 weight 0.1000E+01 volume 2.10130 ppm1 2.149 ppm2 2.736 >>ASSI { 27602} >> (( segid "PROT" and resid 83 and name HB2 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 27602 weight 0.1000E+01 volume 0.80070 ppm1 1.650 ppm2 2.748 >>ASSI { 27612} >> (( segid "PROT" and resid 91 and name HE1 )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 27612 weight 0.1000E+01 volume 2.35450 ppm1 6.707 ppm2 2.950 >>ASSI { 27642} >> (( segid "PROT" and resid 40 and name HA )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 27642 weight 0.1000E+01 volume 3.14860 ppm1 5.083 ppm2 1.552 >>ASSI { 27652} >> (( segid "PROT" and resid 102 and name HA )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 27652 weight 0.1000E+01 volume 1.14410 ppm1 3.241 ppm2 1.111 >>ASSI { 27662} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "PROT" and resid 43 and name HB1 )) >> 6 6 0 peak 27662 weight 0.1000E+01 volume 4.61630 ppm1 0.750 ppm2 1.561 >>ASSI { 27672} >> (( segid "PROT" and resid 9 and name HE1 )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 27672 weight 0.1000E+01 volume 3.90660 ppm1 7.399 ppm2 1.764 >>ASSI { 27682} >> (( segid "PROT" and resid 117 and name HA )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 27682 weight 0.1000E+01 volume 5.18740 ppm1 4.318 ppm2 1.766 >>ASSI { 27692} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 27692 weight 0.1000E+01 volume 2.92610 ppm1 1.093 ppm2 1.935 >>ASSI { 27702} >> (( segid "PROT" and resid 22 and name HD2# )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 27702 weight 0.1000E+01 volume 2.76080 ppm1 1.093 ppm2 1.759 >>ASSI { 27722} >> (( segid "PROT" and resid 66 and name HD1# )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 27722 weight 0.1000E+01 volume 2.78950 ppm1 0.738 ppm2 3.281 >>ASSI { 27732} >> (( segid "PROT" and resid 66 and name HD2# )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 27732 weight 0.1000E+01 volume 2.27290 ppm1 0.835 ppm2 3.285 >>ASSI { 27742} >> (( segid "PROT" and resid 72 and name HG1 )) >> (( segid "PROT" and resid 69 and name HA2 )) >> 6 6 0 peak 27742 weight 0.1000E+01 volume 1.85000 ppm1 2.443 ppm2 3.902 >>ASSI { 27752} >> (( segid "PROT" and resid 72 and name HG1 )) >> (( segid "PROT" and resid 69 and name HA1 )) >> 6 6 0 peak 27752 weight 0.1000E+01 volume 1.80580 ppm1 2.439 ppm2 4.260 >>ASSI { 27772} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 27772 weight 0.1000E+01 volume 1.94690 ppm1 0.612 ppm2 5.245 >>ASSI { 27782} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 27782 weight 0.1000E+01 volume 2.12310 ppm1 2.446 ppm2 5.255 >>ASSI { 27792} >> (( segid "PROT" and resid 53 and name HG2# )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 27792 weight 0.1000E+01 volume 3.47570 ppm1 0.613 ppm2 3.704 >>ASSI { 27802} >> (( segid "PROT" and resid 56 and name HB1 )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 27802 weight 0.1000E+01 volume 3.48160 ppm1 2.442 ppm2 3.449 >>ASSI { 27812} >> (( segid "PROT" and resid 55 and name HB1 )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 27812 weight 0.1000E+01 volume 6.28580 ppm1 2.741 ppm2 3.709 >>ASSI { 27822} >> (( segid "PROT" and resid 55 and name HB1 )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 27822 weight 0.1000E+01 volume 2.96460 ppm1 2.741 ppm2 3.443 >>ASSI { 27832} >> (( segid "PROT" and resid 73 and name HG2 )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 27832 weight 0.1000E+01 volume 3.79530 ppm1 2.245 ppm2 4.626 >>ASSI { 27842} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 27842 weight 0.1000E+01 volume 1.26910 ppm1 0.615 ppm2 4.187 >>ASSI { 27852} >> (( segid "PROT" and resid 81 and name HG2# )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 27852 weight 0.1000E+01 volume 1.08200 ppm1 -1.494 ppm2 3.416 >>ASSI { 27882} >> (( segid "PROT" and resid 4 and name HB1 )) >> (( segid "PROT" and resid 4 and name HA )) >> 6 6 0 peak 27882 weight 0.1000E+01 volume 15.07660 ppm1 2.028 ppm2 4.401 >>ASSI { 27892} >> (( segid "PROT" and resid 4 and name HB2 )) >> (( segid "PROT" and resid 4 and name HA )) >> 6 6 0 peak 27892 weight 0.1000E+01 volume 11.29610 ppm1 1.952 ppm2 4.399 >>ASSI { 27902} >> (( segid "PROT" and resid 4 and name HG1 )) >> (( segid "PROT" and resid 4 and name HA )) >> 6 6 0 peak 27902 weight 0.1000E+01 volume 2.62020 ppm1 2.502 ppm2 4.401 >>ASSI { 27912} >> (( segid "PROT" and resid 4 and name HG2 )) >> (( segid "PROT" and resid 4 and name HA )) >> 6 6 0 peak 27912 weight 0.1000E+01 volume 6.13060 ppm1 2.443 ppm2 4.403 >>ASSI { 27922} >> (( segid "PROT" and resid 3 and name HB1 )) >> (( segid "PROT" and resid 3 and name HA )) >> 6 6 0 peak 27922 weight 0.1000E+01 volume 14.77490 ppm1 3.112 ppm2 4.603 >>ASSI { 27932} >> (( segid "PROT" and resid 3 and name HB2 )) >> (( segid "PROT" and resid 3 and name HA )) >> 6 6 0 peak 27932 weight 0.1000E+01 volume 11.09160 ppm1 3.027 ppm2 4.602 >>ASSI { 27982} >> (( segid "PROT" and resid 3 and name HA )) >> (( segid "PROT" and resid 3 and name HB1 )) >> 6 6 0 peak 27982 weight 0.1000E+01 volume 22.44580 ppm1 4.608 ppm2 3.113 >>ASSI { 27992} >> (( segid "PROT" and resid 3 and name HA )) >> (( segid "PROT" and resid 3 and name HB2 )) >> 6 6 0 peak 27992 weight 0.1000E+01 volume 30.35250 ppm1 4.606 ppm2 3.030 >>ASSI { 28002} >> (( segid "PROT" and resid 3 and name HD2 )) >> (( segid "PROT" and resid 3 and name HB2 )) >> 6 6 0 peak 28002 weight 0.1000E+01 volume 6.79280 ppm1 7.018 ppm2 3.026 >>ASSI { 28012} >> (( segid "PROT" and resid 3 and name HD2 )) >> (( segid "PROT" and resid 3 and name HB1 )) >> 6 6 0 peak 28012 weight 0.1000E+01 volume 3.27500 ppm1 7.019 ppm2 3.097 >>ASSI { 28022} >> (( segid "PROT" and resid 4 and name HA )) >> (( segid "PROT" and resid 4 and name HB1 )) >> 6 6 0 peak 28022 weight 0.1000E+01 volume 15.49310 ppm1 4.402 ppm2 2.021 >>ASSI { 28032} >> (( segid "PROT" and resid 4 and name HG2 )) >> (( segid "PROT" and resid 4 and name HB1 )) >> 6 6 0 peak 28032 weight 0.1000E+01 volume 11.51890 ppm1 2.442 ppm2 2.035 >>ASSI { 28042} >> (( segid "PROT" and resid 4 and name HG1 )) >> (( segid "PROT" and resid 4 and name HB2 )) >> 6 6 0 peak 28042 weight 0.1000E+01 volume 11.33850 ppm1 2.506 ppm2 1.958 >>ASSI { 28052} >> (( segid "PROT" and resid 4 and name HA )) >> (( segid "PROT" and resid 4 and name HG2 )) >> 6 6 0 peak 28052 weight 0.1000E+01 volume 5.94670 ppm1 4.406 ppm2 2.441 >>ASSI { 28062} >> (( segid "PROT" and resid 4 and name HB1 )) >> (( segid "PROT" and resid 4 and name HG2 )) >> 6 6 0 peak 28062 weight 0.1000E+01 volume 26.82030 ppm1 2.036 ppm2 2.444 >>ASSI { 28072} >> (( segid "PROT" and resid 4 and name HB2 )) >> (( segid "PROT" and resid 4 and name HG1 )) >> 6 6 0 peak 28072 weight 0.1000E+01 volume 5.90350 ppm1 1.953 ppm2 2.510 >>ASSI { 28102} >> (( segid "PROT" and resid 26 and name HB1 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 28102 weight 0.1000E+01 volume 2.91270 ppm1 2.907 ppm2 4.008 >>ASSI { 28112} >> (( segid "PROT" and resid 27 and name HD2 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 28112 weight 0.1000E+01 volume 2.05680 ppm1 3.121 ppm2 4.009 >>ASSI { 28122} >> (( segid "PROT" and resid 27 and name HD1 )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 28122 weight 0.1000E+01 volume 2.78060 ppm1 3.191 ppm2 4.008 >>ASSI { 28142} >> (( segid "PROT" and resid 104 and name HE1 )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 28142 weight 0.1000E+01 volume 3.48380 ppm1 2.829 ppm2 4.240 >>ASSI { 28152} >> (( segid "PROT" and resid 83 and name HG )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 28152 weight 0.1000E+01 volume 3.27180 ppm1 1.409 ppm2 4.235 >>ASSI { 28172} >> (( segid "PROT" and resid 2 and name HB1 )) >> (( segid "PROT" and resid 2 and name HA )) >> 6 6 0 peak 28172 weight 0.1000E+01 volume 32.34560 ppm1 3.754 ppm2 4.396 >>ASSI { 28182} >> (( segid "PROT" and resid 2 and name HA )) >> (( segid "PROT" and resid 2 and name HB1 )) >> 6 6 0 peak 28182 weight 0.1000E+01 volume 24.99090 ppm1 4.399 ppm2 3.753 >>ASSI { 28192} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 28192 weight 0.1000E+01 volume 1.53120 ppm1 2.883 ppm2 2.171 >>ASSI { 28202} >> (( segid "PROT" and resid 99 and name HB2 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 28202 weight 0.1000E+01 volume 3.14320 ppm1 2.599 ppm2 2.180 >>ASSI { 28212} >> (( segid "PROT" and resid 94 and name HD1 )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 28212 weight 0.1000E+01 volume 6.53990 ppm1 1.505 ppm2 2.178 >>ASSI { 28222} >> (( segid "PROT" and resid 28 and name HB1 )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 28222 weight 0.1000E+01 volume 1.59140 ppm1 2.098 ppm2 2.589 >>ASSI { 28272} >> (( segid "PROT" and resid 82 and name HZ2 )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 28272 weight 0.1000E+01 volume 2.17530 ppm1 7.718 ppm2 4.005 >>ASSI { 28282} >> (( segid "PROT" and resid 80 and name HB2 )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 28282 weight 0.1000E+01 volume 1.30950 ppm1 2.497 ppm2 3.387 >>ASSI { 28292} >> (( segid "PROT" and resid 7 and name HG2 )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 28292 weight 0.1000E+01 volume 1.66690 ppm1 0.959 ppm2 4.284 >>ASSI { 28302} >> (( segid "PROT" and resid 103 and name HB2 )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 28302 weight 0.1000E+01 volume 8.95940 ppm1 4.114 ppm2 4.317 >>ASSI { 28312} >> (( segid "PROT" and resid 77 and name HE1 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 28312 weight 0.1000E+01 volume 1.09700 ppm1 6.612 ppm2 3.693 >>ASSI { 28322} >> (( segid "PROT" and resid 63 and name HE1 )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 28322 weight 0.1000E+01 volume 1.96690 ppm1 2.798 ppm2 3.694 >>ASSI { 28332} >> (( segid "PROT" and resid 60 and name HA )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 28332 weight 0.1000E+01 volume 2.92800 ppm1 4.229 ppm2 3.683 >>ASSI { 28342} >> (( segid "PROT" and resid 36 and name HB2 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 28342 weight 0.1000E+01 volume 2.63240 ppm1 1.908 ppm2 3.903 >>ASSI { 28352} >> (( segid "PROT" and resid 85 and name HB2 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 28352 weight 0.1000E+01 volume 2.43550 ppm1 1.460 ppm2 3.980 >>ASSI { 28362} >> (( segid "PROT" and resid 70 and name HA )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 28362 weight 0.1000E+01 volume 1.94540 ppm1 3.983 ppm2 3.417 >>ASSI { 28372} >> (( segid "PROT" and resid 53 and name HG1# )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 28372 weight 0.1000E+01 volume 5.27940 ppm1 0.447 ppm2 4.008 >>ASSI { 28392} >> (( segid "PROT" and resid 85 and name HE1 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 28392 weight 0.1000E+01 volume 2.08830 ppm1 6.070 ppm2 4.036 >>ASSI { 28402} >> (( segid "PROT" and resid 109 and name HE1 )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 28402 weight 0.1000E+01 volume 2.95370 ppm1 7.188 ppm2 4.034 >>ASSI { 28412} >> (( segid "PROT" and resid 26 and name HD1 )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 28412 weight 0.1000E+01 volume 6.33780 ppm1 6.935 ppm2 3.715 >>ASSI { 28422} >> (( segid "PROT" and resid 59 and name HD2# )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 28422 weight 0.1000E+01 volume 1.79560 ppm1 0.573 ppm2 3.707 >>ASSI { 28432} >> (( segid "PROT" and resid 27 and name HA )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 28432 weight 0.1000E+01 volume 2.03500 ppm1 4.019 ppm2 3.711 >>ASSI { 28452} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 28452 weight 0.1000E+01 volume 2.80970 ppm1 0.618 ppm2 4.012 >>ASSI { 28462} >> (( segid "PROT" and resid 120 and name HB1 )) >> (( segid "PROT" and resid 119 and name HB2 )) >> 6 6 0 peak 28462 weight 0.1000E+01 volume 2.18500 ppm1 1.780 ppm2 4.017 >>ASSI { 28472} >> (( segid "PROT" and resid 112 and name HB1 )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 28472 weight 0.1000E+01 volume 12.50180 ppm1 2.013 ppm2 4.147 >>ASSI { 28482} >> (( segid "PROT" and resid 112 and name HB2 )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 28482 weight 0.1000E+01 volume 6.21620 ppm1 1.758 ppm2 4.139 >>ASSI { 28492} >> (( segid "PROT" and resid 116 and name HG1# )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 28492 weight 0.1000E+01 volume 1.42880 ppm1 1.036 ppm2 4.148 >>ASSI { 28502} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 28502 weight 0.1000E+01 volume 3.82580 ppm1 0.829 ppm2 3.202 >>ASSI { 28522} >> (( segid "PROT" and resid 120 and name HD1# )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 28522 weight 0.1000E+01 volume 1.48450 ppm1 0.610 ppm2 3.767 >>ASSI { 28532} >> (( segid "PROT" and resid 71 and name HB2 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 28532 weight 0.1000E+01 volume 2.67390 ppm1 2.655 ppm2 3.772 >>ASSI { 28542} >> (( segid "PROT" and resid 71 and name HB1 )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 28542 weight 0.1000E+01 volume 1.16230 ppm1 2.760 ppm2 3.774 >>ASSI { 28552} >> (( segid "PROT" and resid 118 and name HG1 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 28552 weight 0.1000E+01 volume 4.72330 ppm1 2.506 ppm2 4.269 >>ASSI { 28562} >> (( segid "PROT" and resid 118 and name HG2 )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 28562 weight 0.1000E+01 volume 3.15010 ppm1 2.409 ppm2 4.263 >>ASSI { 28572} >> (( segid "PROT" and resid 84 and name HB2 )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 28572 weight 0.1000E+01 volume 3.99160 ppm1 1.239 ppm2 2.479 >>ASSI { 28582} >> (( segid "PROT" and resid 64 and name HG1 )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 28582 weight 0.1000E+01 volume 1.15830 ppm1 1.675 ppm2 3.882 >>ASSI { 28592} >> (( segid "PROT" and resid 75 and name HA )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 28592 weight 0.1000E+01 volume 2.45550 ppm1 4.205 ppm2 3.063 >>ASSI { 28602} >> (( segid "PROT" and resid 94 and name HE1 )) >> (( segid "PROT" and resid 95 and name HB )) >> 6 6 0 peak 28602 weight 0.1000E+01 volume 1.09790 ppm1 2.924 ppm2 4.439 >>! F3 (1H): 0.05 ppm >>! F2 (X): 0.5 ppm >>! F1 (1H): 0.05 ppm >>!The last digit in peak ID is the spectrum number >>assi (( attr rmsd < 1.386 and attr rmsd > 1.286 ) >> and bondedto( attr rmsd < 19.869 and attr rmsd > 18.869 )) >> ( attr rmsd < 2.454 and attr rmsd > 2.354 ) >> 6 6 0 peak 52 volume 6.36260 ppm1 1.336 ppm2 2.404 >>assi (( attr rmsd < 1.46 and attr rmsd > 1.36 ) >> and bondedto( attr rmsd < 18.231 and attr rmsd > 17.231 )) >> ( attr rmsd < 2.433 and attr rmsd > 2.333 ) >> 6 6 0 peak 232 volume 16.22780 ppm1 1.410 ppm2 2.383 >>assi (( attr rmsd < -0.32 and attr rmsd > -0.42 ) >> and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 )) >> ( attr rmsd < 7.442 and attr rmsd > 7.342 ) >> 6 6 0 peak 992 volume 14.37770 ppm1 -0.370 ppm2 7.392 >>assi (( attr rmsd < 0.671 and attr rmsd > 0.571 ) >> and bondedto( attr rmsd < 26.101 and attr rmsd > 25.101 )) >> ( attr rmsd < 4.358 and attr rmsd > 4.258 ) >> 6 6 0 peak 4312 volume 93.39240 ppm1 0.621 ppm2 4.308 >>assi (( attr rmsd < 4.401 and attr rmsd > 4.301 ) >> and bondedto( attr rmsd < 58.218 and attr rmsd > 57.218 )) >> ( attr rmsd < 6.865 and attr rmsd > 6.765 ) >> 6 6 0 peak 4462 volume 8.74790 ppm1 4.351 ppm2 6.815 >>assi (( attr rmsd < 4.209 and attr rmsd > 4.109 ) >> and bondedto( attr rmsd < 59.86 and attr rmsd > 58.86 )) >> ( attr rmsd < 1.913 and attr rmsd > 1.813 ) >> 6 6 0 peak 4732 volume 87.18210 ppm1 4.159 ppm2 1.863 >>assi (( attr rmsd < 1.523 and attr rmsd > 1.423 ) >> and bondedto( attr rmsd < 16.514 and attr rmsd > 15.514 )) >> ( attr rmsd < 1.313 and attr rmsd > 1.213 ) >> 6 6 0 peak 6372 volume 15.25980 ppm1 1.473 ppm2 1.263 >>assi (( attr rmsd < 3.826 and attr rmsd > 3.726 ) >> and bondedto( attr rmsd < 51.586 and attr rmsd > 50.586 )) >> ( attr rmsd < 7.442 and attr rmsd > 7.342 ) >> 6 6 0 peak 7372 volume 46.65760 ppm1 3.776 ppm2 7.392 >>assi (( attr rmsd < 0.904 and attr rmsd > 0.804 ) >> and bondedto( attr rmsd < 17.924 and attr rmsd > 16.924 )) >> ( attr rmsd < 4.694 and attr rmsd > 4.594 ) >> 6 6 0 peak 9272 volume 4.27870 ppm1 0.854 ppm2 4.644 >>assi (( attr rmsd < 0.934 and attr rmsd > 0.834 ) >> and bondedto( attr rmsd < 12.243 and attr rmsd > 11.243 )) >> ( attr rmsd < 0.79 and attr rmsd > 0.69 ) >> 6 6 0 peak 9562 volume 9.58490 ppm1 0.884 ppm2 0.740 >>assi (( attr rmsd < 0.398 and attr rmsd > 0.298 ) >> and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) >> ( attr rmsd < 3.058 and attr rmsd > 2.958 ) >> 6 6 0 peak 9592 volume 5.34360 ppm1 0.348 ppm2 3.008 >>assi (( attr rmsd < -0.325 and attr rmsd > -0.425 ) >> and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 )) >> ( attr rmsd < 0.128 and attr rmsd > 0.028 ) >> 6 6 0 peak 9972 volume 1.55000 ppm1 -0.375 ppm2 0.078 >>assi (( attr rmsd < 0.791 and attr rmsd > 0.691 ) >> and bondedto( attr rmsd < 23.72 and attr rmsd > 22.72 )) >> ( attr rmsd < 2.189 and attr rmsd > 2.089 ) >> 6 6 0 peak 10002 volume 2.26480 ppm1 0.741 ppm2 2.139 >>assi (( attr rmsd < 0.396 and attr rmsd > 0.296 ) >> and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 )) >> ( attr rmsd < 1.607 and attr rmsd > 1.507 ) >> 6 6 0 peak 11082 volume 8.61790 ppm1 0.346 ppm2 1.557 >>assi (( attr rmsd < 0.949 and attr rmsd > 0.849 ) >> and bondedto( attr rmsd < 23.843 and attr rmsd > 22.843 )) >> ( attr rmsd < 2.087 and attr rmsd > 1.987 ) >> 6 6 0 peak 11682 volume 8.18210 ppm1 0.899 ppm2 2.037 >>assi (( attr rmsd < 1.146 and attr rmsd > 1.046 ) >> and bondedto( attr rmsd < 41.598 and attr rmsd > 40.598 )) >> ( attr rmsd < 2.424 and attr rmsd > 2.324 ) >> 6 6 0 peak 11862 volume 1.81800 ppm1 1.096 ppm2 2.374 >>assi (( attr rmsd < 0.881 and attr rmsd > 0.781 ) >> and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 )) >> ( attr rmsd < 1.142 and attr rmsd > 1.042 ) >> 6 6 0 peak 13062 volume 58.13880 ppm1 0.831 ppm2 1.092 >>assi (( attr rmsd < 0.614 and attr rmsd > 0.514 ) >> and bondedto( attr rmsd < 24.079 and attr rmsd > 23.079 )) >> ( attr rmsd < 7.418 and attr rmsd > 7.318 ) >> 6 6 0 peak 14102 volume 7.97080 ppm1 0.564 ppm2 7.368 >>assi (( attr rmsd < 1.853 and attr rmsd > 1.753 ) >> and bondedto( attr rmsd < 26.683 and attr rmsd > 25.683 )) >> ( attr rmsd < 1.402 and attr rmsd > 1.302 ) >> 6 6 0 peak 14152 volume 3.79930 ppm1 1.803 ppm2 1.352 >>assi (( attr rmsd < 2.804 and attr rmsd > 2.704 ) >> and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) >> ( attr rmsd < 2.235 and attr rmsd > 2.135 ) >> 6 6 0 peak 16192 volume 2.19760 ppm1 2.754 ppm2 2.185 >>assi (( attr rmsd < 4.287 and attr rmsd > 4.187 ) >> and bondedto( attr rmsd < 62.75 and attr rmsd > 61.75 )) >> ( attr rmsd < 2.032 and attr rmsd > 1.932 ) >> 6 6 0 peak 17622 volume 6.35340 ppm1 4.237 ppm2 1.982 >>assi (( attr rmsd < 3.976 and attr rmsd > 3.876 ) >> and bondedto( attr rmsd < 58.879 and attr rmsd > 57.879 )) >> ( attr rmsd < 3.675 and attr rmsd > 3.575 ) >> 6 6 0 peak 17952 volume 2.09240 ppm1 3.926 ppm2 3.625 >>assi (( attr rmsd < 1.529 and attr rmsd > 1.429 ) >> and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 )) >> ( attr rmsd < 2.346 and attr rmsd > 2.246 ) >> 6 6 0 peak 20902 volume 4.01120 ppm1 1.479 ppm2 2.296 >>assi (( attr rmsd < 1.281 and attr rmsd > 1.181 ) >> and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 )) >> ( attr rmsd < 2.353 and attr rmsd > 2.253 ) >> 6 6 0 peak 20912 volume 2.76110 ppm1 1.231 ppm2 2.303 >>assi (( attr rmsd < 1.218 and attr rmsd > 1.118 ) >> and bondedto( attr rmsd < 19.581 and attr rmsd > 18.581 )) >> ( attr rmsd < 0.786 and attr rmsd > 0.686 ) >> 6 6 0 peak 22682 volume 3.86980 ppm1 1.168 ppm2 0.736 >>assi (( attr rmsd < 0.878 and attr rmsd > 0.778 ) >> and bondedto( attr rmsd < 12.953 and attr rmsd > 11.953 )) >> ( attr rmsd < 0.572 and attr rmsd > 0.472 ) >> 6 6 0 peak 22722 volume 0.50950 ppm1 0.828 ppm2 0.522 >>assi (( attr rmsd < 4.819 and attr rmsd > 4.719 ) >> and bondedto( attr rmsd < 56.749 and attr rmsd > 55.749 )) >> ( attr rmsd < 6.852 and attr rmsd > 6.752 ) >> 6 6 0 peak 22922 volume 0.91920 ppm1 4.769 ppm2 6.802 >>assi (( attr rmsd < 2.804 and attr rmsd > 2.704 ) >> and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) >> ( attr rmsd < 7.433 and attr rmsd > 7.333 ) >> 6 6 0 peak 22942 volume 1.09720 ppm1 2.754 ppm2 7.383 >>assi (( attr rmsd < 3.799 and attr rmsd > 3.699 ) >> and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 )) >> ( attr rmsd < 7.439 and attr rmsd > 7.339 ) >> 6 6 0 peak 22952 volume 7.86350 ppm1 3.749 ppm2 7.389 >>assi (( attr rmsd < 2.972 and attr rmsd > 2.872 ) >> and bondedto( attr rmsd < 42.58 and attr rmsd > 41.58 )) >> ( attr rmsd < 4.5 and attr rmsd > 4.4 ) >> 6 6 0 peak 23072 volume 13.12350 ppm1 2.922 ppm2 4.450 >>assi (( attr rmsd < 2.039 and attr rmsd > 1.939 ) >> and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) >> ( attr rmsd < 1.592 and attr rmsd > 1.492 ) >> 6 6 0 peak 23662 volume 4.32690 ppm1 1.989 ppm2 1.542 >>assi (( attr rmsd < 2.045 and attr rmsd > 1.945 ) >> and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 )) >> ( attr rmsd < 1.447 and attr rmsd > 1.347 ) >> 6 6 0 peak 23672 volume 6.95750 ppm1 1.995 ppm2 1.397 >>assi (( attr rmsd < 1.799 and attr rmsd > 1.699 ) >> and bondedto( attr rmsd < 18.393 and attr rmsd > 17.393 )) >> ( attr rmsd < 0.858 and attr rmsd > 0.758 ) >> 6 6 0 peak 23762 volume 10.65260 ppm1 1.749 ppm2 0.808 >>assi (( attr rmsd < 0.793 and attr rmsd > 0.693 ) >> and bondedto( attr rmsd < 19.22 and attr rmsd > 18.22 )) >> ( attr rmsd < 0.109 and attr rmsd > 0.009 ) >> 6 6 0 peak 23772 volume 2.11910 ppm1 0.743 ppm2 0.059 >>assi (( attr rmsd < 0.794 and attr rmsd > 0.694 ) >> and bondedto( attr rmsd < 23.666 and attr rmsd > 22.666 )) >> ( attr rmsd < 2.566 and attr rmsd > 2.466 ) >> 6 6 0 peak 23812 volume 22.33420 ppm1 0.744 ppm2 2.516 >>assi (( attr rmsd < 0.874 and attr rmsd > 0.774 ) >> and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 )) >> ( attr rmsd < 7.757 and attr rmsd > 7.657 ) >> 6 6 0 peak 23922 volume 16.23220 ppm1 0.824 ppm2 7.707 >>assi (( attr rmsd < 0.874 and attr rmsd > 0.774 ) >> and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 )) >> ( attr rmsd < 7.262 and attr rmsd > 7.162 ) >> 6 6 0 peak 23932 volume 5.43100 ppm1 0.824 ppm2 7.212 >>assi (( attr rmsd < 0.881 and attr rmsd > 0.781 ) >> and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) >> ( attr rmsd < 1.226 and attr rmsd > 1.126 ) >> 6 6 0 peak 24132 volume 17.31900 ppm1 0.831 ppm2 1.176 >>assi (( attr rmsd < 0.402 and attr rmsd > 0.302 ) >> and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) >> ( attr rmsd < 0.789 and attr rmsd > 0.689 ) >> 6 6 0 peak 24182 volume 3.89740 ppm1 0.352 ppm2 0.739 >>assi (( attr rmsd < 0.401 and attr rmsd > 0.301 ) >> and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 )) >> ( attr rmsd < 0.884 and attr rmsd > 0.784 ) >> 6 6 0 peak 24192 volume 4.73510 ppm1 0.351 ppm2 0.834 >>assi (( attr rmsd < 0.793 and attr rmsd > 0.693 ) >> and bondedto( attr rmsd < 26.782 and attr rmsd > 25.782 )) >> ( attr rmsd < 7.754 and attr rmsd > 7.654 ) >> 6 6 0 peak 24302 volume 12.35960 ppm1 0.743 ppm2 7.704 >>assi (( attr rmsd < 1.46 and attr rmsd > 1.36 ) >> and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 )) >> ( attr rmsd < 7.446 and attr rmsd > 7.346 ) >> 6 6 0 peak 24372 volume 2.55520 ppm1 1.410 ppm2 7.396 >>assi (( attr rmsd < 1.847 and attr rmsd > 1.747 ) >> and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 )) >> ( attr rmsd < 7.449 and attr rmsd > 7.349 ) >> 6 6 0 peak 24382 volume 5.21990 ppm1 1.797 ppm2 7.399 >>assi (( attr rmsd < 1.706 and attr rmsd > 1.606 ) >> and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 )) >> ( attr rmsd < 7.38 and attr rmsd > 7.28 ) >> 6 6 0 peak 24472 volume 3.28780 ppm1 1.656 ppm2 7.330 >>assi (( attr rmsd < 1.708 and attr rmsd > 1.608 ) >> and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 )) >> ( attr rmsd < 7.439 and attr rmsd > 7.339 ) >> 6 6 0 peak 24482 volume 2.44180 ppm1 1.658 ppm2 7.389 >>assi (( attr rmsd < 1.906 and attr rmsd > 1.806 ) >> and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) >> ( attr rmsd < 1.611 and attr rmsd > 1.511 ) >> 6 6 0 peak 24592 volume 30.33470 ppm1 1.856 ppm2 1.561 >>assi (( attr rmsd < 1.918 and attr rmsd > 1.818 ) >> and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) >> ( attr rmsd < 1.502 and attr rmsd > 1.402 ) >> 6 6 0 peak 24602 volume 28.19950 ppm1 1.868 ppm2 1.452 >>assi (( attr rmsd < 1.912 and attr rmsd > 1.812 ) >> and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 )) >> ( attr rmsd < 1.749 and attr rmsd > 1.649 ) >> 6 6 0 peak 24612 volume 50.17210 ppm1 1.862 ppm2 1.699 >>assi (( attr rmsd < 2.063 and attr rmsd > 1.963 ) >> and bondedto( attr rmsd < 33.254 and attr rmsd > 32.254 )) >> ( attr rmsd < 3.746 and attr rmsd > 3.646 ) >> 6 6 0 peak 24732 volume 7.58290 ppm1 2.013 ppm2 3.696 >>assi (( attr rmsd < 2.55 and attr rmsd > 2.45 ) >> and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 )) >> ( attr rmsd < 2.117 and attr rmsd > 2.017 ) >> 6 6 0 peak 24762 volume 55.96790 ppm1 2.500 ppm2 2.067 >>assi (( attr rmsd < 2.456 and attr rmsd > 2.356 ) >> and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 )) >> ( attr rmsd < 2.118 and attr rmsd > 2.018 ) >> 6 6 0 peak 24772 volume 60.09110 ppm1 2.406 ppm2 2.068 >>assi (( attr rmsd < 2.712 and attr rmsd > 2.612 ) >> and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 )) >> ( attr rmsd < 2.356 and attr rmsd > 2.256 ) >> 6 6 0 peak 24852 volume 6.30710 ppm1 2.662 ppm2 2.306 >>assi (( attr rmsd < 2.599 and attr rmsd > 2.499 ) >> and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 )) >> ( attr rmsd < 2.362 and attr rmsd > 2.262 ) >> 6 6 0 peak 24862 volume 11.17580 ppm1 2.549 ppm2 2.312 >>assi (( attr rmsd < 4.152 and attr rmsd > 4.052 ) >> and bondedto( attr rmsd < 58.101 and attr rmsd > 57.101 )) >> ( attr rmsd < 2.862 and attr rmsd > 2.762 ) >> 6 6 0 peak 25202 volume 4.44950 ppm1 4.102 ppm2 2.812 >>assi (( attr rmsd < 0.873 and attr rmsd > 0.773 ) >> and bondedto( attr rmsd < 13.047 and attr rmsd > 12.047 )) >> ( attr rmsd < 2.499 and attr rmsd > 2.399 ) >> 6 6 0 peak 25552 volume 1.93190 ppm1 0.823 ppm2 2.449 >>assi (( attr rmsd < 2.045 and attr rmsd > 1.945 ) >> and bondedto( attr rmsd < 14.703 and attr rmsd > 13.703 )) >> ( attr rmsd < 2.8 and attr rmsd > 2.7 ) >> 6 6 0 peak 25562 volume 4.27700 ppm1 1.995 ppm2 2.750 >>assi (( attr rmsd < 1.516 and attr rmsd > 1.416 ) >> and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 )) >> ( attr rmsd < 0.823 and attr rmsd > 0.723 ) >> 6 6 0 peak 25592 volume 2.10950 ppm1 1.466 ppm2 0.773 >>assi (( attr rmsd < 1.516 and attr rmsd > 1.416 ) >> and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 )) >> ( attr rmsd < 0.769 and attr rmsd > 0.669 ) >> 6 6 0 peak 25602 volume 2.44900 ppm1 1.466 ppm2 0.719 >>assi (( attr rmsd < 1.461 and attr rmsd > 1.361 ) >> and bondedto( attr rmsd < 18.254 and attr rmsd > 17.254 )) >> ( attr rmsd < 0.726 and attr rmsd > 0.626 ) >> 6 6 0 peak 25702 volume 3.90480 ppm1 1.411 ppm2 0.676 >>assi (( attr rmsd < 1.222 and attr rmsd > 1.122 ) >> and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 )) >> ( attr rmsd < 0.556 and attr rmsd > 0.456 ) >> 6 6 0 peak 25772 volume 3.28060 ppm1 1.172 ppm2 0.506 >>assi (( attr rmsd < 1.226 and attr rmsd > 1.126 ) >> and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 )) >> ( attr rmsd < 0.721 and attr rmsd > 0.621 ) >> 6 6 0 peak 25782 volume 2.11190 ppm1 1.176 ppm2 0.671 >>assi (( attr rmsd < 1.544 and attr rmsd > 1.444 ) >> and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 )) >> ( attr rmsd < 4.378 and attr rmsd > 4.278 ) >> 6 6 0 peak 25812 volume 4.05120 ppm1 1.494 ppm2 4.328 >>assi (( attr rmsd < 1.386 and attr rmsd > 1.286 ) >> and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 )) >> ( attr rmsd < 2.175 and attr rmsd > 2.075 ) >> 6 6 0 peak 25832 volume 1.68050 ppm1 1.336 ppm2 2.125 >>assi (( attr rmsd < 0.769 and attr rmsd > 0.669 ) >> and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 )) >> ( attr rmsd < 4.491 and attr rmsd > 4.391 ) >> 6 6 0 peak 25842 volume 5.78940 ppm1 0.719 ppm2 4.441 >>assi (( attr rmsd < 0.769 and attr rmsd > 0.669 ) >> and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 )) >> ( attr rmsd < 4.234 and attr rmsd > 4.134 ) >> 6 6 0 peak 25852 volume 2.48040 ppm1 0.719 ppm2 4.184 >>assi (( attr rmsd < -0.317 and attr rmsd > -0.417 ) >> and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) >> ( attr rmsd < 0.874 and attr rmsd > 0.774 ) >> 6 6 0 peak 25952 volume 4.90670 ppm1 -0.367 ppm2 0.824 >>assi (( attr rmsd < 0.494 and attr rmsd > 0.394 ) >> and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 )) >> ( attr rmsd < 7.468 and attr rmsd > 7.368 ) >> 6 6 0 peak 26062 volume 2.55430 ppm1 0.444 ppm2 7.418 >>assi (( attr rmsd < 0.494 and attr rmsd > 0.394 ) >> and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 )) >> ( attr rmsd < 2.189 and attr rmsd > 2.089 ) >> 6 6 0 peak 26072 volume 4.54610 ppm1 0.444 ppm2 2.139 >>assi (( attr rmsd < 0.872 and attr rmsd > 0.772 ) >> and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) >> ( attr rmsd < 3.011 and attr rmsd > 2.911 ) >> 6 6 0 peak 26132 volume 2.95700 ppm1 0.822 ppm2 2.961 >>assi (( attr rmsd < 0.877 and attr rmsd > 0.777 ) >> and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) >> ( attr rmsd < 2.834 and attr rmsd > 2.734 ) >> 6 6 0 peak 26142 volume 1.68600 ppm1 0.827 ppm2 2.784 >>assi (( attr rmsd < 1.169 and attr rmsd > 1.069 ) >> and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 )) >> ( attr rmsd < 7.306 and attr rmsd > 7.206 ) >> 6 6 0 peak 26152 volume 3.35600 ppm1 1.119 ppm2 7.256 >>assi (( attr rmsd < 1.165 and attr rmsd > 1.065 ) >> and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 )) >> ( attr rmsd < 7.533 and attr rmsd > 7.433 ) >> 6 6 0 peak 26162 volume 2.01470 ppm1 1.115 ppm2 7.483 >>assi (( attr rmsd < 0.875 and attr rmsd > 0.775 ) >> and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 )) >> ( attr rmsd < 6.66 and attr rmsd > 6.56 ) >> 6 6 0 peak 26202 volume 1.25120 ppm1 0.825 ppm2 6.610 >>assi (( attr rmsd < 0.789 and attr rmsd > 0.689 ) >> and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) >> ( attr rmsd < 3.007 and attr rmsd > 2.907 ) >> 6 6 0 peak 26262 volume 4.05440 ppm1 0.739 ppm2 2.957 >>assi (( attr rmsd < 0.788 and attr rmsd > 0.688 ) >> and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) >> ( attr rmsd < 2.838 and attr rmsd > 2.738 ) >> 6 6 0 peak 26272 volume 3.57320 ppm1 0.738 ppm2 2.788 >>assi (( attr rmsd < 0.787 and attr rmsd > 0.687 ) >> and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) >> ( attr rmsd < 2.087 and attr rmsd > 1.987 ) >> 6 6 0 peak 26282 volume 2.97490 ppm1 0.737 ppm2 2.037 >>assi (( attr rmsd < 0.616 and attr rmsd > 0.516 ) >> and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 )) >> ( attr rmsd < 7.142 and attr rmsd > 7.042 ) >> 6 6 0 peak 26322 volume 2.01550 ppm1 0.566 ppm2 7.092 >>assi (( attr rmsd < 0.618 and attr rmsd > 0.518 ) >> and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 )) >> ( attr rmsd < 7.084 and attr rmsd > 6.984 ) >> 6 6 0 peak 26332 volume 2.68520 ppm1 0.568 ppm2 7.034 >>assi (( attr rmsd < 0.617 and attr rmsd > 0.517 ) >> and bondedto( attr rmsd < 24.171 and attr rmsd > 23.171 )) >> ( attr rmsd < 2.646 and attr rmsd > 2.546 ) >> 6 6 0 peak 26352 volume 4.53950 ppm1 0.567 ppm2 2.596 >>assi (( attr rmsd < 0.631 and attr rmsd > 0.531 ) >> and bondedto( attr rmsd < 24.645 and attr rmsd > 23.645 )) >> ( attr rmsd < 3.752 and attr rmsd > 3.652 ) >> 6 6 0 peak 26372 volume 5.06170 ppm1 0.581 ppm2 3.702 >>assi (( attr rmsd < 1.147 and attr rmsd > 1.047 ) >> and bondedto( attr rmsd < 24.882 and attr rmsd > 23.882 )) >> ( attr rmsd < 3.977 and attr rmsd > 3.877 ) >> 6 6 0 peak 26452 volume 0.79610 ppm1 1.097 ppm2 3.927 >>assi (( attr rmsd < 1.015 and attr rmsd > 0.915 ) >> and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) >> ( attr rmsd < 7.176 and attr rmsd > 7.076 ) >> 6 6 0 peak 26482 volume 4.46950 ppm1 0.965 ppm2 7.126 >>assi (( attr rmsd < 1.012 and attr rmsd > 0.912 ) >> and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) >> ( attr rmsd < 7.433 and attr rmsd > 7.333 ) >> 6 6 0 peak 26492 volume 5.07330 ppm1 0.962 ppm2 7.383 >>assi (( attr rmsd < 1.021 and attr rmsd > 0.921 ) >> and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) >> ( attr rmsd < 1.977 and attr rmsd > 1.877 ) >> 6 6 0 peak 26552 volume 10.65130 ppm1 0.971 ppm2 1.927 >>assi (( attr rmsd < 1.012 and attr rmsd > 0.912 ) >> and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) >> ( attr rmsd < 0.564 and attr rmsd > 0.464 ) >> 6 6 0 peak 26562 volume 2.80140 ppm1 0.962 ppm2 0.514 >>assi (( attr rmsd < 1.019 and attr rmsd > 0.919 ) >> and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 )) >> ( attr rmsd < 0.27 and attr rmsd > 0.17 ) >> 6 6 0 peak 26572 volume 3.89330 ppm1 0.969 ppm2 0.220 >>assi (( attr rmsd < 0.788 and attr rmsd > 0.688 ) >> and bondedto( attr rmsd < 26.775 and attr rmsd > 25.775 )) >> ( attr rmsd < 7.264 and attr rmsd > 7.164 ) >> 6 6 0 peak 26662 volume 1.86410 ppm1 0.738 ppm2 7.214 >>assi (( attr rmsd < 1.621 and attr rmsd > 1.521 ) >> and bondedto( attr rmsd < 28.432 and attr rmsd > 27.432 )) >> ( attr rmsd < 4.509 and attr rmsd > 4.409 ) >> 6 6 0 peak 26802 volume 3.98390 ppm1 1.571 ppm2 4.459 >>assi (( attr rmsd < 1.069 and attr rmsd > 0.969 ) >> and bondedto( attr rmsd < 31.272 and attr rmsd > 30.272 )) >> ( attr rmsd < 7.47 and attr rmsd > 7.37 ) >> 6 6 0 peak 26992 volume 1.61900 ppm1 1.019 ppm2 7.420 >>assi (( attr rmsd < 1.511 and attr rmsd > 1.411 ) >> and bondedto( attr rmsd < 32.929 and attr rmsd > 31.929 )) >> ( attr rmsd < 7.441 and attr rmsd > 7.341 ) >> 6 6 0 peak 27102 volume 3.86070 ppm1 1.461 ppm2 7.391 >>assi (( attr rmsd < 1.781 and attr rmsd > 1.681 ) >> and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 )) >> ( attr rmsd < 7.442 and attr rmsd > 7.342 ) >> 6 6 0 peak 27152 volume 6.96270 ppm1 1.731 ppm2 7.392 >>assi (( attr rmsd < 1.791 and attr rmsd > 1.691 ) >> and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 )) >> ( attr rmsd < 5.126 and attr rmsd > 5.026 ) >> 6 6 0 peak 27182 volume 2.09730 ppm1 1.741 ppm2 5.076 >>assi (( attr rmsd < 4.325 and attr rmsd > 4.225 ) >> and bondedto( attr rmsd < 56.836 and attr rmsd > 55.836 )) >> ( attr rmsd < 7.518 and attr rmsd > 7.418 ) >> 6 6 0 peak 27242 volume 2.88950 ppm1 4.275 ppm2 7.468 >>assi (( attr rmsd < 2.422 and attr rmsd > 2.322 ) >> and bondedto( attr rmsd < 34.586 and attr rmsd > 33.586 )) >> ( attr rmsd < 0.893 and attr rmsd > 0.793 ) >> 6 6 0 peak 27272 volume 4.90700 ppm1 2.372 ppm2 0.843 >>assi (( attr rmsd < 2.485 and attr rmsd > 2.385 ) >> and bondedto( attr rmsd < 35.296 and attr rmsd > 34.296 )) >> ( attr rmsd < 0.88 and attr rmsd > 0.78 ) >> 6 6 0 peak 27312 volume 4.50790 ppm1 2.435 ppm2 0.830 >>assi (( attr rmsd < 2.874 and attr rmsd > 2.774 ) >> and bondedto( attr rmsd < 37.663 and attr rmsd > 36.663 )) >> ( attr rmsd < 0.95 and attr rmsd > 0.85 ) >> 6 6 0 peak 27442 volume 3.43540 ppm1 2.824 ppm2 0.900 >>assi (( attr rmsd < 2.716 and attr rmsd > 2.616 ) >> and bondedto( attr rmsd < 38.137 and attr rmsd > 37.137 )) >> ( attr rmsd < 0.405 and attr rmsd > 0.305 ) >> 6 6 0 peak 27452 volume 2.85000 ppm1 2.666 ppm2 0.355 >>assi (( attr rmsd < 2.41 and attr rmsd > 2.31 ) >> and bondedto( attr rmsd < 41.924 and attr rmsd > 40.924 )) >> ( attr rmsd < 6.911 and attr rmsd > 6.811 ) >> 6 6 0 peak 27622 volume 2.82240 ppm1 2.360 ppm2 6.861 >>assi (( attr rmsd < 2.969 and attr rmsd > 2.869 ) >> and bondedto( attr rmsd < 42.161 and attr rmsd > 41.161 )) >> ( attr rmsd < 7.527 and attr rmsd > 7.427 ) >> 6 6 0 peak 27632 volume 6.69450 ppm1 2.919 ppm2 7.477 >>assi (( attr rmsd < 3.212 and attr rmsd > 3.112 ) >> and bondedto( attr rmsd < 43.581 and attr rmsd > 42.581 )) >> ( attr rmsd < 7.525 and attr rmsd > 7.425 ) >> 6 6 0 peak 27712 volume 1.99590 ppm1 3.162 ppm2 7.475 >>assi (( attr rmsd < 5.136 and attr rmsd > 5.036 ) >> and bondedto( attr rmsd < 50.445 and attr rmsd > 49.445 )) >> ( attr rmsd < 7.441 and attr rmsd > 7.341 ) >> 6 6 0 peak 27762 volume 3.62450 ppm1 5.086 ppm2 7.391 >>assi (( attr rmsd < 4.181 and attr rmsd > 4.081 ) >> and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 )) >> ( attr rmsd < 0.615 and attr rmsd > 0.515 ) >> 6 6 0 peak 27862 volume 4.66440 ppm1 4.131 ppm2 0.565 >>assi (( attr rmsd < 4.144 and attr rmsd > 4.044 ) >> and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 )) >> ( attr rmsd < 3.125 and attr rmsd > 3.025 ) >> 6 6 0 peak 27872 volume 1.92650 ppm1 4.094 ppm2 3.075 >>assi (( attr rmsd < 3.119 and attr rmsd > 3.019 ) >> and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) >> ( attr rmsd < 4.145 and attr rmsd > 4.045 ) >> 6 6 0 peak 27942 volume 2.38460 ppm1 3.069 ppm2 4.095 >>assi (( attr rmsd < 2.872 and attr rmsd > 2.772 ) >> and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) >> ( attr rmsd < 4.145 and attr rmsd > 4.045 ) >> 6 6 0 peak 27952 volume 2.44570 ppm1 2.822 ppm2 4.095 >>assi (( attr rmsd < 2.873 and attr rmsd > 2.773 ) >> and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) >> ( attr rmsd < 3.125 and attr rmsd > 3.025 ) >> 6 6 0 peak 27962 volume 15.82780 ppm1 2.823 ppm2 3.075 >>assi (( attr rmsd < 3.123 and attr rmsd > 3.023 ) >> and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 )) >> ( attr rmsd < 2.871 and attr rmsd > 2.771 ) >> 6 6 0 peak 27972 volume 16.24160 ppm1 3.073 ppm2 2.821 >>assi (( attr rmsd < 4.296 and attr rmsd > 4.196 ) >> and bondedto( attr rmsd < 56.516 and attr rmsd > 55.516 )) >> ( attr rmsd < 0.87 and attr rmsd > 0.77 ) >> 6 6 0 peak 28082 volume 3.89320 ppm1 4.246 ppm2 0.820 >>assi (( attr rmsd < 4.16 and attr rmsd > 4.06 ) >> and bondedto( attr rmsd < 57.783 and attr rmsd > 56.783 )) >> ( attr rmsd < 1.352 and attr rmsd > 1.252 ) >> 6 6 0 peak 28092 volume 4.68730 ppm1 4.110 ppm2 1.302 >>assi (( attr rmsd < 4.159 and attr rmsd > 4.059 ) >> and bondedto( attr rmsd < 58.019 and attr rmsd > 57.019 )) >> ( attr rmsd < 3.692 and attr rmsd > 3.592 ) >> 6 6 0 peak 28132 volume 1.61920 ppm1 4.109 ppm2 3.642 >>assi (( attr rmsd < 4.289 and attr rmsd > 4.189 ) >> and bondedto( attr rmsd < 58.73 and attr rmsd > 57.73 )) >> ( attr rmsd < 1.005 and attr rmsd > 0.905 ) >> 6 6 0 peak 28162 volume 1.50790 ppm1 4.239 ppm2 0.955 >>assi (( attr rmsd < 4.289 and attr rmsd > 4.189 ) >> and bondedto( attr rmsd < 62.757 and attr rmsd > 61.757 )) >> ( attr rmsd < 1.521 and attr rmsd > 1.421 ) >> 6 6 0 peak 28382 volume 2.58650 ppm1 4.239 ppm2 1.471 >>assi (( attr rmsd < 4.181 and attr rmsd > 4.081 ) >> and bondedto( attr rmsd < 123.822 and attr rmsd > 122.822 )) >> ( attr rmsd < 7.456 and attr rmsd > 7.356 ) >> 6 6 0 peak 28442 volume 2.09340 ppm1 4.131 ppm2 7.406 >>assi (( attr rmsd < 3.712 and attr rmsd > 3.612 ) >> and bondedto( attr rmsd < 64.41 and attr rmsd > 63.41 )) >> ( attr rmsd < 4.052 and attr rmsd > 3.952 ) >> 6 6 0 peak 28512 volume 7.68510 ppm1 3.662 ppm2 4.002 >>assi (( attr rmsd < 4.491 and attr rmsd > 4.391 ) >> and bondedto( attr rmsd < 69.144 and attr rmsd > 68.144 )) >> ( attr rmsd < 0.773 and attr rmsd > 0.673 ) >> 6 6 0 peak 28612 volume 2.38180 ppm1 4.441 ppm2 0.723 >>assi (( attr rmsd < -0.326 and attr rmsd > -0.426 ) >> and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) >> ( attr rmsd < 7.754 and attr rmsd > 7.654 ) >> 6 6 0 peak 28622 volume 0.69380 ppm1 -0.376 ppm2 7.704 >>assi (( attr rmsd < -0.314 and attr rmsd > -0.414 ) >> and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) >> ( attr rmsd < 3 and attr rmsd > 2.9 ) >> 6 6 0 peak 28632 volume 1.38080 ppm1 -0.364 ppm2 2.950 >>assi (( attr rmsd < -0.318 and attr rmsd > -0.418 ) >> and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 )) >> ( attr rmsd < 2.563 and attr rmsd > 2.463 ) >> 6 6 0 peak 28642 volume 1.83490 ppm1 -0.368 ppm2 2.513 >>assi (( attr rmsd < 0.775 and attr rmsd > 0.675 ) >> and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 )) >> ( attr rmsd < 7.751 and attr rmsd > 7.651 ) >> 6 6 0 peak 28652 volume 0.96460 ppm1 0.725 ppm2 7.701 >>assi (( attr rmsd < 1.78 and attr rmsd > 1.68 ) >> and bondedto( attr rmsd < 27.75 and attr rmsd > 26.75 )) >> ( attr rmsd < 7.758 and attr rmsd > 7.658 ) >> 6 6 0 peak 28662 volume 1.51640 ppm1 1.730 ppm2 7.708 >>assi (( attr rmsd < 1.436 and attr rmsd > 1.336 ) >> and bondedto( attr rmsd < 43.817 and attr rmsd > 42.817 )) >> ( attr rmsd < 7.757 and attr rmsd > 7.657 ) >> 6 6 0 peak 28672 volume 1.02510 ppm1 1.386 ppm2 7.707 >>; >> >>save_ >> ; save_ save_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_1 _Sample_conditions_label $conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_4 >> _Spectral_peak_list.Entry_ID 7110 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $conditions_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>! >>! >>!The last digit in peak ID is the spectrum number >> >>ASSI { 04} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 04 weight 0.1000E+01 volume 45.36660 ppm1 4.187 ppm2 7.687 >>ASSI { 14} >> (( segid "PROT" and resid 44 and name HA )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 14 weight 0.1000E+01 volume 13.55940 ppm1 4.164 ppm2 7.208 >>ASSI { 24} >> (( segid "PROT" and resid 44 and name HB2 )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 24 weight 0.1000E+01 volume 48.90320 ppm1 1.381 ppm2 7.687 >>ASSI { 34} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 34 weight 0.1000E+01 volume 49.56870 ppm1 1.694 ppm2 7.687 >>ASSI { 44} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 44 weight 0.1000E+01 volume 13.55530 ppm1 1.668 ppm2 7.210 >>ASSI { 64} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 64 weight 0.1000E+01 volume 256.38599 ppm1 0.745 ppm2 7.687 >>ASSI { 74} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HZ3 )) >> 6 6 0 peak 74 weight 0.1000E+01 volume 14.27240 ppm1 0.744 ppm2 7.489 >>ASSI { 84} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 84 weight 0.1000E+01 volume 89.31960 ppm1 0.742 ppm2 7.209 >>ASSI { 104} >> (( segid "PROT" and resid 43 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 104 weight 0.1000E+01 volume 28.89790 ppm1 0.873 ppm2 7.685 >>ASSI { 124} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 124 weight 0.1000E+01 volume 311.09491 ppm1 0.833 ppm2 7.686 >>ASSI { 134} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "LIGA" and resid 201 and name HZ3 )) >> 6 6 0 peak 134 weight 0.1000E+01 volume 75.67030 ppm1 0.824 ppm2 7.487 >>ASSI { 144} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 144 weight 0.1000E+01 volume 149.05130 ppm1 0.835 ppm2 7.208 >>ASSI { 154} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 154 weight 0.1000E+01 volume 50.91520 ppm1 -0.380 ppm2 7.684 >>ASSI { 164} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 164 weight 0.1000E+01 volume 12.47750 ppm1 -0.370 ppm2 7.217 >>ASSI { 174} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HE3 )) >> 6 6 0 peak 174 weight 0.1000E+01 volume 61.21580 ppm1 0.679 ppm2 7.629 >>ASSI { 184} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HZ3 )) >> 6 6 0 peak 184 weight 0.1000E+01 volume 55.27830 ppm1 0.688 ppm2 7.485 >>ASSI { 194} >> (( segid "PROT" and resid 46 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 194 weight 0.1000E+01 volume 22.43440 ppm1 0.679 ppm2 7.206 >>ASSI { 214} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 214 weight 0.1000E+01 volume 108.39830 ppm1 0.745 ppm2 2.940 >>ASSI { 224} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HM1 )) >> 6 6 0 peak 224 weight 0.1000E+01 volume 93.21480 ppm1 0.749 ppm2 2.761 >>ASSI { 234} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 234 weight 0.1000E+01 volume 22.33730 ppm1 0.746 ppm2 2.507 >>ASSI { 244} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 244 weight 0.1000E+01 volume 168.25160 ppm1 0.741 ppm2 2.938 >>ASSI { 254} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "LIGA" and resid 201 and name HM1 )) >> 6 6 0 peak 254 weight 0.1000E+01 volume 164.72591 ppm1 0.741 ppm2 2.762 >>ASSI { 264} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 264 weight 0.1000E+01 volume 318.62280 ppm1 0.732 ppm2 2.499 >>ASSI { 274} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "LIGA" and resid 201 and name HA1 )) >> 6 6 0 peak 274 weight 0.1000E+01 volume 160.07770 ppm1 0.735 ppm2 2.018 >>ASSI { 284} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 284 weight 0.1000E+01 volume 22.04390 ppm1 -0.376 ppm2 2.939 >>ASSI { 294} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HM1 )) >> 6 6 0 peak 294 weight 0.1000E+01 volume 21.91780 ppm1 -0.386 ppm2 2.766 >>ASSI { 304} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 304 weight 0.1000E+01 volume 77.55570 ppm1 -0.369 ppm2 2.496 >>ASSI { 314} >> (( segid "PROT" and resid 88 and name HB# )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 314 weight 0.1000E+01 volume 63.02200 ppm1 1.738 ppm2 2.498 >>ASSI { 324} >> (( segid "PROT" and resid 39 and name HG2# )) >> (( segid "LIGA" and resid 201 and name HA1 )) >> 6 6 0 peak 324 weight 0.1000E+01 volume 12.43050 ppm1 -0.374 ppm2 2.020 >>ASSI { 344} >> (( segid "PROT" and resid 44 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HA1 )) >> 6 6 0 peak 344 weight 0.1000E+01 volume 5.30340 ppm1 0.723 ppm2 2.032 >>ASSI { 354} >> (( segid "PROT" and resid 44 and name HG )) >> (( segid "LIGA" and resid 201 and name HZ3 )) >> 6 6 0 peak 354 weight 0.1000E+01 volume 12.84050 ppm1 1.695 ppm2 7.486 >>ASSI { 364} >> (( segid "PROT" and resid 44 and name HB2 )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 364 weight 0.1000E+01 volume 2.77150 ppm1 1.375 ppm2 7.207 >>ASSI { 384} >> (( segid "PROT" and resid 39 and name HA )) >> (( segid "LIGA" and resid 201 and name HN# )) >> 6 6 0 peak 384 weight 0.1000E+01 volume 10.57500 ppm1 3.226 ppm2 2.492 >>ASSI { 394} >> (( segid "PROT" and resid 43 and name HD1# )) >> (( segid "LIGA" and resid 201 and name HH2 )) >> 6 6 0 peak 394 weight 0.1000E+01 volume 8.47860 ppm1 0.891 ppm2 7.206 >>ASSI { 414} >> (( segid "PROT" and resid 34 and name HB1 )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 414 weight 0.1000E+01 volume 7.72190 ppm1 2.108 ppm2 2.931 >>ASSI { 424} >> (( segid "PROT" and resid 34 and name HB2 )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 424 weight 0.1000E+01 volume 4.13030 ppm1 0.594 ppm2 2.915 >>ASSI { 444} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "LIGA" and resid 201 and name HZ2 )) >> 6 6 0 peak 444 weight 0.1000E+01 volume 4.93780 ppm1 4.353 ppm2 7.688 >>ASSI { 454} >> (( segid "PROT" and resid 34 and name HA )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 454 weight 0.1000E+01 volume 5.60660 ppm1 4.359 ppm2 2.924 >>ASSI { 464} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "LIGA" and resid 201 and name HB1 )) >> 6 6 0 peak 464 weight 0.1000E+01 volume 20.37760 ppm1 0.827 ppm2 2.937 >>ASSI { 474} >> (( segid "PROT" and resid 44 and name HD2# )) >> (( segid "LIGA" and resid 201 and name HM1 )) >> 6 6 0 peak 474 weight 0.1000E+01 volume 19.93690 ppm1 0.845 ppm2 2.763 >>ASSI { 504} >> (( segid "PROT" and resid 39 and name HG1# )) >> (( segid "LIGA" and resid 201 and name HE3 )) >> 6 6 0 peak 504 weight 0.1000E+01 volume 13.93860 ppm1 0.741 ppm2 7.629 >>! F3 (1H): 0.05 ppm >>! F2 (X): 0.5 ppm >>! F1 (1H): 0.05 ppm >>!The last digit in peak ID is the spectrum number >>assi (( attr rmsd < 1.141 and attr rmsd > 1.041 ) >> and bondedto( attr rmsd < 27.188 and attr rmsd > 26.188 )) >> ( attr rmsd < 7.585 and attr rmsd > 7.485 ) >> 6 6 0 peak 54 volume 27.09200 ppm1 1.091 ppm2 7.535 >>assi (( attr rmsd < 1.124 and attr rmsd > 1.024 ) >> and bondedto( attr rmsd < 27.025 and attr rmsd > 26.025 )) >> ( attr rmsd < 7.253 and attr rmsd > 7.153 ) >> 6 6 0 peak 94 volume 14.56050 ppm1 1.074 ppm2 7.203 >>assi (( attr rmsd < 1.136 and attr rmsd > 1.036 ) >> and bondedto( attr rmsd < 24.755 and attr rmsd > 23.755 )) >> ( attr rmsd < 7.577 and attr rmsd > 7.477 ) >> 6 6 0 peak 114 volume 11.77660 ppm1 1.086 ppm2 7.527 >>assi (( attr rmsd < 4.327 and attr rmsd > 4.227 ) >> and bondedto( attr rmsd < 56.762 and attr rmsd > 55.762 )) >> ( attr rmsd < 2.52 and attr rmsd > 2.42 ) >> 6 6 0 peak 204 volume 30.49670 ppm1 4.277 ppm2 2.470 >>assi (( attr rmsd < -0.297 and attr rmsd > -0.397 ) >> and bondedto( attr rmsd < 20.872 and attr rmsd > 19.872 )) >> ( attr rmsd < 7.429 and attr rmsd > 7.329 ) >> 6 6 0 peak 334 volume 3.99710 ppm1 -0.347 ppm2 7.379 >>assi (( attr rmsd < 1.114 and attr rmsd > 1.014 ) >> and bondedto( attr rmsd < 27.382 and attr rmsd > 26.382 )) >> ( attr rmsd < 2.568 and attr rmsd > 2.468 ) >> 6 6 0 peak 374 volume 6.25610 ppm1 1.064 ppm2 2.518 >>assi (( attr rmsd < 2.152 and attr rmsd > 2.052 ) >> and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) >> ( attr rmsd < 2.832 and attr rmsd > 2.732 ) >> 6 6 0 peak 404 volume 8.66450 ppm1 2.102 ppm2 2.782 >>assi (( attr rmsd < 0.615 and attr rmsd > 0.515 ) >> and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) >> ( attr rmsd < 2.81 and attr rmsd > 2.71 ) >> 6 6 0 peak 434 volume 5.52080 ppm1 0.565 ppm2 2.760 >>assi (( attr rmsd < 0.635 and attr rmsd > 0.535 ) >> and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) >> ( attr rmsd < 2.542 and attr rmsd > 2.442 ) >> 6 6 0 peak 484 volume 2.45480 ppm1 0.585 ppm2 2.492 >>assi (( attr rmsd < 0.636 and attr rmsd > 0.536 ) >> and bondedto( attr rmsd < 31.39 and attr rmsd > 30.39 )) >> ( attr rmsd < 2.092 and attr rmsd > 1.992 ) >> 6 6 0 peak 494 volume 3.20750 ppm1 0.586 ppm2 2.042 >>; >> >>save_ >> ; save_ save_peak_list_5 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_1 _Sample_conditions_label $conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_5 >> _Spectral_peak_list.Entry_ID 7110 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $conditions_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>! >>! >>!The last digit in peak ID is the spectrum number >> >>ASSI { 01} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 01 weight 0.1000E+01 volume 122.32610 ppm1 7.276 ppm2 3.112 >>ASSI { 11} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 11 weight 0.1000E+01 volume 6.42390 ppm1 7.279 ppm2 0.844 >>ASSI { 21} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 45 and name HA1 )) >> 6 6 0 peak 21 weight 0.1000E+01 volume 1354.07410 ppm1 7.387 ppm2 3.910 >>ASSI { 31} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 31 weight 0.1000E+01 volume 21.22360 ppm1 10.508 ppm2 3.090 >>ASSI { 41} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HZ2 )) >> 6 6 0 peak 41 weight 0.1000E+01 volume 321.87390 ppm1 10.508 ppm2 7.729 >>ASSI { 51} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 51 weight 0.1000E+01 volume 437.03400 ppm1 10.508 ppm2 7.494 >>ASSI { 91} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 91 weight 0.1000E+01 volume 83.34160 ppm1 7.480 ppm2 2.067 >>ASSI { 101} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 101 weight 0.1000E+01 volume 19.51640 ppm1 7.478 ppm2 1.762 >>ASSI { 111} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 111 weight 0.1000E+01 volume 51.67350 ppm1 7.481 ppm2 1.072 >>ASSI { 121} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 22 and name HN )) >> 6 6 0 peak 121 weight 0.1000E+01 volume 31.20570 ppm1 7.480 ppm2 7.040 >>ASSI { 131} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 131 weight 0.1000E+01 volume 203.35170 ppm1 7.480 ppm2 4.174 >>ASSI { 141} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 141 weight 0.1000E+01 volume 440.25800 ppm1 8.935 ppm2 7.339 >>ASSI { 151} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 9 and name HA )) >> 6 6 0 peak 151 weight 0.1000E+01 volume 331.59210 ppm1 8.935 ppm2 4.649 >>ASSI { 161} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 161 weight 0.1000E+01 volume 643.39673 ppm1 8.934 ppm2 4.283 >>ASSI { 171} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 171 weight 0.1000E+01 volume 603.88397 ppm1 8.935 ppm2 2.886 >>ASSI { 181} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 181 weight 0.1000E+01 volume 127.03600 ppm1 8.936 ppm2 1.757 >>ASSI { 191} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 191 weight 0.1000E+01 volume 23.59190 ppm1 8.938 ppm2 1.144 >>ASSI { 201} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 201 weight 0.1000E+01 volume 343.73859 ppm1 8.934 ppm2 0.860 >>ASSI { 211} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 211 weight 0.1000E+01 volume 32.32840 ppm1 7.043 ppm2 2.225 >>ASSI { 221} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 221 weight 0.1000E+01 volume 28.62220 ppm1 7.992 ppm2 0.840 >>ASSI { 231} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 231 weight 0.1000E+01 volume 63.73040 ppm1 7.989 ppm2 3.914 >>ASSI { 241} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HG )) >> 6 6 0 peak 241 weight 0.1000E+01 volume 118.87640 ppm1 7.988 ppm2 1.704 >>ASSI { 251} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 251 weight 0.1000E+01 volume 49.19570 ppm1 7.989 ppm2 2.100 >>ASSI { 261} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 30 and name HD1 )) >> 6 6 0 peak 261 weight 0.1000E+01 volume 52.43320 ppm1 9.477 ppm2 3.358 >>ASSI { 271} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 29 and name HB1 )) >> 6 6 0 peak 271 weight 0.1000E+01 volume 10.61020 ppm1 9.477 ppm2 2.823 >>ASSI { 281} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 31 and name HB1 )) >> 6 6 0 peak 281 weight 0.1000E+01 volume 329.39389 ppm1 9.475 ppm2 1.577 >>ASSI { 291} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 291 weight 0.1000E+01 volume 206.67979 ppm1 9.227 ppm2 2.873 >>ASSI { 301} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 301 weight 0.1000E+01 volume 133.54919 ppm1 9.227 ppm2 2.384 >>ASSI { 311} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 10 and name HB1 )) >> 6 6 0 peak 311 weight 0.1000E+01 volume 240.16141 ppm1 9.225 ppm2 2.183 >>ASSI { 321} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 321 weight 0.1000E+01 volume 836.49011 ppm1 9.226 ppm2 1.677 >>ASSI { 331} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 33 and name HB1 )) >> 6 6 0 peak 331 weight 0.1000E+01 volume 37.62500 ppm1 8.008 ppm2 2.083 >>ASSI { 341} >> (( segid "PROT" and resid 15 and name HE )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 341 weight 0.1000E+01 volume 242.08070 ppm1 7.797 ppm2 3.291 >>ASSI { 351} >> (( segid "PROT" and resid 6 and name HN )) >> (( segid "PROT" and resid 6 and name HG1 )) >> 6 6 0 peak 351 weight 0.1000E+01 volume 20.40720 ppm1 8.431 ppm2 1.402 >>ASSI { 361} >> (( segid "PROT" and resid 6 and name HN )) >> (( segid "PROT" and resid 6 and name HA )) >> 6 6 0 peak 361 weight 0.1000E+01 volume 716.55573 ppm1 8.429 ppm2 4.328 >>ASSI { 371} >> (( segid "PROT" and resid 6 and name HN )) >> (( segid "PROT" and resid 6 and name HB1 )) >> 6 6 0 peak 371 weight 0.1000E+01 volume 402.73520 ppm1 8.427 ppm2 1.762 >>ASSI { 381} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 7 and name HA )) >> 6 6 0 peak 381 weight 0.1000E+01 volume 1410.79834 ppm1 8.285 ppm2 4.275 >>ASSI { 391} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 391 weight 0.1000E+01 volume 703.11627 ppm1 8.286 ppm2 1.616 >>ASSI { 401} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 7 and name HG1 )) >> 6 6 0 peak 401 weight 0.1000E+01 volume 29.87870 ppm1 8.285 ppm2 1.107 >>ASSI { 411} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 8 and name HN )) >> 6 6 0 peak 411 weight 0.1000E+01 volume 69.66770 ppm1 8.286 ppm2 8.023 >>ASSI { 421} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 421 weight 0.1000E+01 volume 47.29860 ppm1 8.675 ppm2 3.643 >>ASSI { 431} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 431 weight 0.1000E+01 volume 318.07800 ppm1 8.676 ppm2 2.225 >>ASSI { 441} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 55 and name HN )) >> 6 6 0 peak 441 weight 0.1000E+01 volume 171.71730 ppm1 7.661 ppm2 8.602 >>ASSI { 451} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 451 weight 0.1000E+01 volume 47.58920 ppm1 7.663 ppm2 1.824 >>ASSI { 461} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 461 weight 0.1000E+01 volume 149.35249 ppm1 7.662 ppm2 1.647 >>ASSI { 471} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 54 and name HA )) >> 6 6 0 peak 471 weight 0.1000E+01 volume 167.22501 ppm1 7.662 ppm2 4.214 >>ASSI { 481} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 481 weight 0.1000E+01 volume 424.39450 ppm1 7.662 ppm2 3.578 >>ASSI { 491} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 54 and name HG1 )) >> 6 6 0 peak 491 weight 0.1000E+01 volume 84.19150 ppm1 7.663 ppm2 1.407 >>ASSI { 501} >> (( segid "PROT" and resid 5 and name HN )) >> (( segid "PROT" and resid 5 and name HA )) >> 6 6 0 peak 501 weight 0.1000E+01 volume 49.67040 ppm1 8.478 ppm2 4.409 >>ASSI { 511} >> (( segid "PROT" and resid 5 and name HN )) >> (( segid "PROT" and resid 5 and name HB1 )) >> 6 6 0 peak 511 weight 0.1000E+01 volume 123.71430 ppm1 8.478 ppm2 1.788 >>ASSI { 521} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 521 weight 0.1000E+01 volume 27.50080 ppm1 8.074 ppm2 4.573 >>ASSI { 531} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 8 and name HB )) >> 6 6 0 peak 531 weight 0.1000E+01 volume 580.96332 ppm1 8.028 ppm2 1.752 >>ASSI { 541} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 541 weight 0.1000E+01 volume 212.87970 ppm1 8.071 ppm2 1.133 >>ASSI { 551} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 551 weight 0.1000E+01 volume 36.36540 ppm1 8.074 ppm2 2.195 >>ASSI { 561} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 561 weight 0.1000E+01 volume 48.67110 ppm1 8.076 ppm2 0.909 >>ASSI { 571} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 571 weight 0.1000E+01 volume 166.87849 ppm1 8.027 ppm2 0.887 >>ASSI { 581} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 8 and name HG12 )) >> 6 6 0 peak 581 weight 0.1000E+01 volume 310.02719 ppm1 8.028 ppm2 1.134 >>ASSI { 591} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 591 weight 0.1000E+01 volume 165.78200 ppm1 6.975 ppm2 4.561 >>ASSI { 601} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 601 weight 0.1000E+01 volume 100.98900 ppm1 6.977 ppm2 3.522 >>ASSI { 611} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 611 weight 0.1000E+01 volume 198.99910 ppm1 6.976 ppm2 0.731 >>ASSI { 621} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 621 weight 0.1000E+01 volume 379.59320 ppm1 6.976 ppm2 2.857 >>ASSI { 631} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 631 weight 0.1000E+01 volume 338.03229 ppm1 8.619 ppm2 1.036 >>ASSI { 641} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 103 and name HN )) >> 6 6 0 peak 641 weight 0.1000E+01 volume 28.11120 ppm1 7.798 ppm2 8.468 >>ASSI { 651} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 651 weight 0.1000E+01 volume 399.56131 ppm1 7.795 ppm2 4.255 >>ASSI { 661} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HG1 )) >> 6 6 0 peak 661 weight 0.1000E+01 volume 25.42300 ppm1 7.798 ppm2 1.502 >>ASSI { 671} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 671 weight 0.1000E+01 volume 405.32031 ppm1 7.798 ppm2 2.026 >>ASSI { 681} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 681 weight 0.1000E+01 volume 54.56420 ppm1 7.999 ppm2 3.705 >>ASSI { 691} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 49 and name HB1 )) >> 6 6 0 peak 691 weight 0.1000E+01 volume 53.25330 ppm1 7.996 ppm2 2.728 >>ASSI { 701} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 64 and name HG1 )) >> 6 6 0 peak 701 weight 0.1000E+01 volume 56.83200 ppm1 8.472 ppm2 1.695 >>ASSI { 711} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 711 weight 0.1000E+01 volume 213.60480 ppm1 7.168 ppm2 4.577 >>ASSI { 721} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 80 and name HB1 )) >> 6 6 0 peak 721 weight 0.1000E+01 volume 217.66800 ppm1 7.169 ppm2 2.814 >>ASSI { 731} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 80 and name HB2 )) >> 6 6 0 peak 731 weight 0.1000E+01 volume 42.42460 ppm1 7.167 ppm2 2.504 >>ASSI { 741} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 118 and name HB1 )) >> 6 6 0 peak 741 weight 0.1000E+01 volume 11.45110 ppm1 7.592 ppm2 2.187 >>ASSI { 751} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 119 and name HB1 )) >> 6 6 0 peak 751 weight 0.1000E+01 volume 145.09669 ppm1 7.594 ppm2 4.035 >>ASSI { 761} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 761 weight 0.1000E+01 volume 644.92499 ppm1 7.593 ppm2 1.797 >>ASSI { 771} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 42 and name HN )) >> 6 6 0 peak 771 weight 0.1000E+01 volume 342.36270 ppm1 7.413 ppm2 7.754 >>ASSI { 781} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 42 and name HB1 )) >> 6 6 0 peak 781 weight 0.1000E+01 volume 388.39230 ppm1 7.412 ppm2 2.127 >>ASSI { 791} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 791 weight 0.1000E+01 volume 124.97970 ppm1 7.410 ppm2 -0.266 >>ASSI { 801} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 801 weight 0.1000E+01 volume 163.33270 ppm1 7.409 ppm2 2.493 >>ASSI { 811} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 43 and name HG )) >> 6 6 0 peak 811 weight 0.1000E+01 volume 858.57800 ppm1 7.413 ppm2 1.495 >>ASSI { 821} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 821 weight 0.1000E+01 volume 247.37151 ppm1 7.413 ppm2 0.870 >>ASSI { 831} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 79 and name HB1 )) >> 6 6 0 peak 831 weight 0.1000E+01 volume 23.37160 ppm1 7.408 ppm2 2.874 >>ASSI { 841} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 88 and name HA )) >> 6 6 0 peak 841 weight 0.1000E+01 volume 92.29520 ppm1 7.312 ppm2 4.345 >>ASSI { 851} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 851 weight 0.1000E+01 volume 321.37939 ppm1 7.310 ppm2 1.727 >>ASSI { 861} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 861 weight 0.1000E+01 volume 51.28210 ppm1 9.172 ppm2 2.037 >>ASSI { 871} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 871 weight 0.1000E+01 volume 19.34510 ppm1 7.269 ppm2 3.910 >>ASSI { 881} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 881 weight 0.1000E+01 volume 33.12180 ppm1 7.265 ppm2 1.171 >>ASSI { 891} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 71 and name HB1 )) >> 6 6 0 peak 891 weight 0.1000E+01 volume 10.73020 ppm1 8.903 ppm2 2.767 >>ASSI { 901} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 901 weight 0.1000E+01 volume 86.13590 ppm1 8.904 ppm2 2.435 >>ASSI { 911} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 911 weight 0.1000E+01 volume 452.01111 ppm1 7.962 ppm2 0.910 >>ASSI { 921} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 921 weight 0.1000E+01 volume 36.73200 ppm1 7.962 ppm2 7.491 >>ASSI { 931} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 931 weight 0.1000E+01 volume 142.61501 ppm1 8.568 ppm2 4.370 >>ASSI { 941} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 941 weight 0.1000E+01 volume 679.70142 ppm1 7.793 ppm2 2.195 >>ASSI { 951} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 951 weight 0.1000E+01 volume 266.38461 ppm1 7.793 ppm2 3.633 >>ASSI { 961} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 108 and name HG1# )) >> 6 6 0 peak 961 weight 0.1000E+01 volume 439.10080 ppm1 7.793 ppm2 0.952 >>ASSI { 971} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 66 and name HN )) >> 6 6 0 peak 971 weight 0.1000E+01 volume 26.61880 ppm1 9.131 ppm2 8.567 >>ASSI { 981} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 981 weight 0.1000E+01 volume 159.11810 ppm1 9.132 ppm2 1.942 >>ASSI { 991} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 67 and name HA )) >> 6 6 0 peak 991 weight 0.1000E+01 volume 262.30280 ppm1 9.134 ppm2 4.366 >>ASSI { 1001} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 1001 weight 0.1000E+01 volume 179.84360 ppm1 9.133 ppm2 2.868 >>ASSI { 1011} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 1011 weight 0.1000E+01 volume 85.38270 ppm1 9.132 ppm2 2.614 >>ASSI { 1021} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 1021 weight 0.1000E+01 volume 63.00830 ppm1 9.135 ppm2 1.773 >>ASSI { 1031} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 68 and name HA )) >> 6 6 0 peak 1031 weight 0.1000E+01 volume 16.15430 ppm1 9.135 ppm2 4.531 >>ASSI { 1041} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 1041 weight 0.1000E+01 volume 398.31720 ppm1 7.204 ppm2 4.159 >>ASSI { 1051} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 1051 weight 0.1000E+01 volume 181.03740 ppm1 7.206 ppm2 1.673 >>ASSI { 1061} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 13 and name HG1 )) >> 6 6 0 peak 1061 weight 0.1000E+01 volume 310.61649 ppm1 7.203 ppm2 2.376 >>ASSI { 1071} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 24 and name HN )) >> 6 6 0 peak 1071 weight 0.1000E+01 volume 41.57360 ppm1 8.769 ppm2 7.556 >>ASSI { 1081} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 1081 weight 0.1000E+01 volume 584.93909 ppm1 8.808 ppm2 2.064 >>ASSI { 1091} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 89 and name HB2 )) >> 6 6 0 peak 1091 weight 0.1000E+01 volume 58.22170 ppm1 8.663 ppm2 3.117 >>ASSI { 1101} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 13 and name HN )) >> 6 6 0 peak 1101 weight 0.1000E+01 volume 49.16080 ppm1 7.858 ppm2 7.201 >>ASSI { 1111} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 1111 weight 0.1000E+01 volume 38.42300 ppm1 7.857 ppm2 4.171 >>ASSI { 1121} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 1121 weight 0.1000E+01 volume 44.52040 ppm1 7.860 ppm2 3.804 >>ASSI { 1131} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 1131 weight 0.1000E+01 volume 161.55051 ppm1 7.860 ppm2 2.387 >>ASSI { 1141} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 1141 weight 0.1000E+01 volume 169.33990 ppm1 7.858 ppm2 1.657 >>ASSI { 1151} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 13 and name HB2 )) >> 6 6 0 peak 1151 weight 0.1000E+01 volume 26.09730 ppm1 7.860 ppm2 2.208 >>ASSI { 1161} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 1161 weight 0.1000E+01 volume 21.09920 ppm1 7.859 ppm2 0.353 >>ASSI { 1171} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 1171 weight 0.1000E+01 volume 16.77300 ppm1 9.079 ppm2 3.641 >>ASSI { 1181} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 1181 weight 0.1000E+01 volume 169.98219 ppm1 9.078 ppm2 0.905 >>ASSI { 1191} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 1191 weight 0.1000E+01 volume 196.02390 ppm1 8.921 ppm2 4.498 >>ASSI { 1201} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 88 and name HN )) >> 6 6 0 peak 1201 weight 0.1000E+01 volume 66.44440 ppm1 8.925 ppm2 7.299 >>ASSI { 1211} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 1211 weight 0.1000E+01 volume 151.92970 ppm1 8.926 ppm2 3.124 >>ASSI { 1221} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 1221 weight 0.1000E+01 volume 18.82780 ppm1 8.807 ppm2 3.800 >>ASSI { 1231} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 1231 weight 0.1000E+01 volume 182.41470 ppm1 8.776 ppm2 1.711 >>ASSI { 1241} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 1241 weight 0.1000E+01 volume 109.40050 ppm1 7.330 ppm2 1.142 >>ASSI { 1251} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 53 and name HN )) >> 6 6 0 peak 1251 weight 0.1000E+01 volume 51.10500 ppm1 7.179 ppm2 8.617 >>ASSI { 1261} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 51 and name HN )) >> 6 6 0 peak 1261 weight 0.1000E+01 volume 43.35360 ppm1 7.182 ppm2 7.639 >>ASSI { 1271} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 1271 weight 0.1000E+01 volume 141.00140 ppm1 8.121 ppm2 2.151 >>ASSI { 1281} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 1281 weight 0.1000E+01 volume 156.85091 ppm1 8.116 ppm2 1.007 >>ASSI { 1291} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 1291 weight 0.1000E+01 volume 168.30991 ppm1 8.120 ppm2 1.436 >>ASSI { 1301} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 1301 weight 0.1000E+01 volume 388.44089 ppm1 7.581 ppm2 2.023 >>ASSI { 1311} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 25 and name HN )) >> 6 6 0 peak 1311 weight 0.1000E+01 volume 71.68090 ppm1 7.581 ppm2 7.267 >>ASSI { 1321} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 1321 weight 0.1000E+01 volume 403.85751 ppm1 7.580 ppm2 3.966 >>ASSI { 1331} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 1331 weight 0.1000E+01 volume 512.39600 ppm1 7.581 ppm2 1.416 >>ASSI { 1341} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 1341 weight 0.1000E+01 volume 103.07810 ppm1 7.580 ppm2 2.290 >>ASSI { 1351} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 85 and name HB1 )) >> 6 6 0 peak 1351 weight 0.1000E+01 volume 163.18860 ppm1 7.487 ppm2 2.506 >>ASSI { 1361} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 1361 weight 0.1000E+01 volume 29.27040 ppm1 7.332 ppm2 2.286 >>ASSI { 1371} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 1371 weight 0.1000E+01 volume 229.31560 ppm1 8.147 ppm2 3.676 >>ASSI { 1381} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 1381 weight 0.1000E+01 volume 751.86450 ppm1 8.141 ppm2 1.873 >>ASSI { 1391} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 1391 weight 0.1000E+01 volume 84.85810 ppm1 8.147 ppm2 1.332 >>ASSI { 1401} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 12 and name HA )) >> 6 6 0 peak 1401 weight 0.1000E+01 volume 40.13040 ppm1 8.146 ppm2 4.170 >>ASSI { 1431} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 93 and name HG1 )) >> 6 6 0 peak 1431 weight 0.1000E+01 volume 229.14360 ppm1 8.799 ppm2 1.735 >>ASSI { 1441} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 1441 weight 0.1000E+01 volume 94.76250 ppm1 8.458 ppm2 4.323 >>ASSI { 1451} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 48 and name HB2 )) >> 6 6 0 peak 1451 weight 0.1000E+01 volume 203.48019 ppm1 8.427 ppm2 2.689 >>ASSI { 1461} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 49 and name HN )) >> 6 6 0 peak 1461 weight 0.1000E+01 volume 287.97000 ppm1 8.428 ppm2 8.004 >>ASSI { 1471} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 48 and name HB1 )) >> 6 6 0 peak 1471 weight 0.1000E+01 volume 149.75200 ppm1 8.428 ppm2 3.151 >>ASSI { 1481} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 12 and name HA )) >> 6 6 0 peak 1481 weight 0.1000E+01 volume 442.74289 ppm1 9.749 ppm2 4.176 >>ASSI { 1491} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 1491 weight 0.1000E+01 volume 31.98660 ppm1 9.750 ppm2 3.954 >>ASSI { 1501} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 12 and name HG1 )) >> 6 6 0 peak 1501 weight 0.1000E+01 volume 478.67789 ppm1 9.750 ppm2 2.347 >>ASSI { 1511} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 12 and name HB1 )) >> 6 6 0 peak 1511 weight 0.1000E+01 volume 347.34030 ppm1 9.750 ppm2 2.054 >>ASSI { 1521} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 10 and name HB2 )) >> 6 6 0 peak 1521 weight 0.1000E+01 volume 45.52890 ppm1 9.749 ppm2 1.675 >>ASSI { 1531} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 119 and name HN )) >> 6 6 0 peak 1531 weight 0.1000E+01 volume 297.36829 ppm1 8.032 ppm2 7.611 >>ASSI { 1541} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 117 and name HN )) >> 6 6 0 peak 1541 weight 0.1000E+01 volume 86.96540 ppm1 8.031 ppm2 8.464 >>ASSI { 1551} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 118 and name HA )) >> 6 6 0 peak 1551 weight 0.1000E+01 volume 479.73041 ppm1 8.030 ppm2 4.110 >>ASSI { 1561} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 118 and name HG1 )) >> 6 6 0 peak 1561 weight 0.1000E+01 volume 595.67358 ppm1 8.030 ppm2 2.490 >>ASSI { 1571} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 118 and name HB2 )) >> 6 6 0 peak 1571 weight 0.1000E+01 volume 355.54510 ppm1 8.032 ppm2 2.066 >>ASSI { 1581} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 1581 weight 0.1000E+01 volume 34.39360 ppm1 7.813 ppm2 3.909 >>ASSI { 1591} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 1591 weight 0.1000E+01 volume 58.73320 ppm1 7.811 ppm2 4.198 >>ASSI { 1601} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 1601 weight 0.1000E+01 volume 975.66962 ppm1 7.811 ppm2 1.997 >>ASSI { 1611} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 64 and name HG2 )) >> 6 6 0 peak 1611 weight 0.1000E+01 volume 56.50820 ppm1 7.811 ppm2 1.530 >>ASSI { 1621} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 1621 weight 0.1000E+01 volume 83.72820 ppm1 6.563 ppm2 0.773 >>ASSI { 1631} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 1631 weight 0.1000E+01 volume 313.30670 ppm1 6.561 ppm2 3.711 >>ASSI { 1641} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 1641 weight 0.1000E+01 volume 551.63031 ppm1 6.561 ppm2 2.068 >>ASSI { 1651} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 1651 weight 0.1000E+01 volume 309.21051 ppm1 6.561 ppm2 1.052 >>ASSI { 1661} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HN )) >> 6 6 0 peak 1661 weight 0.1000E+01 volume 63.00530 ppm1 7.638 ppm2 7.185 >>ASSI { 1671} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 51 and name HB1 )) >> 6 6 0 peak 1671 weight 0.1000E+01 volume 218.18201 ppm1 7.636 ppm2 2.936 >>ASSI { 1681} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 51 and name HB2 )) >> 6 6 0 peak 1681 weight 0.1000E+01 volume 151.87770 ppm1 7.638 ppm2 2.718 >>ASSI { 1691} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 1691 weight 0.1000E+01 volume 383.14569 ppm1 8.831 ppm2 4.102 >>ASSI { 1701} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 1701 weight 0.1000E+01 volume 35.99330 ppm1 8.113 ppm2 4.287 >>ASSI { 1711} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 1711 weight 0.1000E+01 volume 52.18450 ppm1 8.115 ppm2 3.986 >>ASSI { 1721} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 70 and name HN )) >> 6 6 0 peak 1721 weight 0.1000E+01 volume 212.48759 ppm1 8.114 ppm2 8.377 >>ASSI { 1731} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 71 and name HB1 )) >> 6 6 0 peak 1731 weight 0.1000E+01 volume 117.64600 ppm1 8.114 ppm2 2.761 >>ASSI { 1741} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 1741 weight 0.1000E+01 volume 49.04490 ppm1 8.114 ppm2 2.235 >>ASSI { 1751} >> (( segid "PROT" and resid 36 and name HH12 )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 1751 weight 0.1000E+01 volume 98.28600 ppm1 7.167 ppm2 2.183 >>ASSI { 1761} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 1761 weight 0.1000E+01 volume 61.92400 ppm1 7.291 ppm2 2.815 >>ASSI { 1771} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 1771 weight 0.1000E+01 volume 204.35519 ppm1 7.294 ppm2 1.695 >>ASSI { 1791} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 1791 weight 0.1000E+01 volume 330.95099 ppm1 7.292 ppm2 4.117 >>ASSI { 1801} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 16 and name HN )) >> 6 6 0 peak 1801 weight 0.1000E+01 volume 221.85330 ppm1 7.445 ppm2 7.798 >>ASSI { 1811} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 1811 weight 0.1000E+01 volume 39.51090 ppm1 7.446 ppm2 3.933 >>ASSI { 1821} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 16 and name HG1 )) >> 6 6 0 peak 1821 weight 0.1000E+01 volume 44.11890 ppm1 7.444 ppm2 2.436 >>ASSI { 1831} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 16 and name HB1 )) >> 6 6 0 peak 1831 weight 0.1000E+01 volume 467.09171 ppm1 7.447 ppm2 2.109 >>ASSI { 1841} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 1841 weight 0.1000E+01 volume 666.02728 ppm1 7.446 ppm2 1.353 >>ASSI { 1851} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 54 and name HN )) >> 6 6 0 peak 1851 weight 0.1000E+01 volume 356.05911 ppm1 8.588 ppm2 7.655 >>ASSI { 1861} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 54 and name HA )) >> 6 6 0 peak 1861 weight 0.1000E+01 volume 97.32900 ppm1 8.589 ppm2 4.222 >>ASSI { 1871} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 1871 weight 0.1000E+01 volume 670.17908 ppm1 8.588 ppm2 2.740 >>ASSI { 1881} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 1881 weight 0.1000E+01 volume 94.09920 ppm1 8.591 ppm2 1.830 >>ASSI { 1891} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 1891 weight 0.1000E+01 volume 172.72350 ppm1 8.590 ppm2 0.585 >>ASSI { 1901} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 1901 weight 0.1000E+01 volume 119.28350 ppm1 8.590 ppm2 3.583 >>ASSI { 1911} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 80 and name HN )) >> 6 6 0 peak 1911 weight 0.1000E+01 volume 39.67450 ppm1 8.433 ppm2 7.172 >>ASSI { 1921} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 79 and name HB1 )) >> 6 6 0 peak 1921 weight 0.1000E+01 volume 218.96700 ppm1 8.435 ppm2 2.876 >>ASSI { 1931} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 1931 weight 0.1000E+01 volume 45.69920 ppm1 8.432 ppm2 2.288 >>ASSI { 1941} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 110 and name HB2 )) >> 6 6 0 peak 1941 weight 0.1000E+01 volume 347.87381 ppm1 8.555 ppm2 2.175 >>ASSI { 1951} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 1951 weight 0.1000E+01 volume 300.26389 ppm1 8.555 ppm2 4.021 >>ASSI { 1961} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 1961 weight 0.1000E+01 volume 317.64081 ppm1 8.551 ppm2 2.376 >>ASSI { 1971} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 1971 weight 0.1000E+01 volume 45.74360 ppm1 8.555 ppm2 2.854 >>ASSI { 1981} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 1981 weight 0.1000E+01 volume 176.03740 ppm1 7.934 ppm2 2.501 >>ASSI { 1991} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 1991 weight 0.1000E+01 volume 278.08469 ppm1 7.929 ppm2 2.033 >>ASSI { 2001} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 113 and name HN )) >> 6 6 0 peak 2001 weight 0.1000E+01 volume 32.96260 ppm1 7.935 ppm2 8.845 >>ASSI { 2011} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 111 and name HN )) >> 6 6 0 peak 2011 weight 0.1000E+01 volume 42.20070 ppm1 7.931 ppm2 7.333 >>ASSI { 2021} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 112 and name HA )) >> 6 6 0 peak 2021 weight 0.1000E+01 volume 517.91388 ppm1 7.934 ppm2 4.111 >>ASSI { 2031} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 2031 weight 0.1000E+01 volume 17.53030 ppm1 7.929 ppm2 0.887 >>ASSI { 2041} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 2041 weight 0.1000E+01 volume 95.46820 ppm1 7.929 ppm2 1.770 >>ASSI { 2051} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 2051 weight 0.1000E+01 volume 504.44171 ppm1 7.789 ppm2 3.929 >>ASSI { 2071} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 16 and name HB1 )) >> 6 6 0 peak 2071 weight 0.1000E+01 volume 855.76349 ppm1 7.787 ppm2 2.110 >>ASSI { 2081} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 2081 weight 0.1000E+01 volume 447.35989 ppm1 7.789 ppm2 1.880 >>ASSI { 2091} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 2091 weight 0.1000E+01 volume 32.27550 ppm1 7.785 ppm2 1.557 >>ASSI { 2101} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 2101 weight 0.1000E+01 volume 23.19460 ppm1 7.942 ppm2 1.457 >>ASSI { 2111} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 2111 weight 0.1000E+01 volume 69.10570 ppm1 7.913 ppm2 4.233 >>ASSI { 2121} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 82 and name HD1 )) >> 6 6 0 peak 2121 weight 0.1000E+01 volume 404.57101 ppm1 7.945 ppm2 7.489 >>ASSI { 2131} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 2131 weight 0.1000E+01 volume 105.21650 ppm1 7.918 ppm2 3.285 >>ASSI { 2141} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 2141 weight 0.1000E+01 volume 156.14619 ppm1 7.945 ppm2 3.100 >>ASSI { 2151} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 73 and name HG2 )) >> 6 6 0 peak 2151 weight 0.1000E+01 volume 26.43270 ppm1 7.920 ppm2 2.260 >>ASSI { 2161} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 111 and name HA )) >> 6 6 0 peak 2161 weight 0.1000E+01 volume 613.91870 ppm1 7.331 ppm2 4.115 >>ASSI { 2171} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 111 and name HB1 )) >> 6 6 0 peak 2171 weight 0.1000E+01 volume 881.70422 ppm1 7.327 ppm2 2.285 >>ASSI { 2181} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 112 and name HN )) >> 6 6 0 peak 2181 weight 0.1000E+01 volume 53.84590 ppm1 7.329 ppm2 7.930 >>ASSI { 2191} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 2191 weight 0.1000E+01 volume 359.24249 ppm1 7.328 ppm2 2.199 >>ASSI { 2201} >> (( segid "PROT" and resid 28 and name HE22 )) >> (( segid "PROT" and resid 28 and name HE21 )) >> 6 6 0 peak 2201 weight 0.1000E+01 volume 334.65701 ppm1 6.994 ppm2 7.944 >>ASSI { 2211} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 42 and name HA )) >> 6 6 0 peak 2211 weight 0.1000E+01 volume 459.15811 ppm1 7.756 ppm2 4.039 >>ASSI { 2221} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 40 and name HB2 )) >> 6 6 0 peak 2221 weight 0.1000E+01 volume 341.49570 ppm1 7.755 ppm2 2.365 >>ASSI { 2231} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 42 and name HB1 )) >> 6 6 0 peak 2231 weight 0.1000E+01 volume 940.58240 ppm1 7.754 ppm2 2.121 >>ASSI { 2241} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 41 and name HB2 )) >> 6 6 0 peak 2241 weight 0.1000E+01 volume 44.03380 ppm1 7.756 ppm2 1.730 >>ASSI { 2251} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 43 and name HN )) >> 6 6 0 peak 2251 weight 0.1000E+01 volume 436.21631 ppm1 7.755 ppm2 7.418 >>ASSI { 2261} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 98 and name HB )) >> 6 6 0 peak 2261 weight 0.1000E+01 volume 292.99319 ppm1 8.040 ppm2 1.585 >>ASSI { 2271} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 97 and name HG1 )) >> 6 6 0 peak 2271 weight 0.1000E+01 volume 33.04640 ppm1 8.040 ppm2 1.001 >>ASSI { 2281} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 2281 weight 0.1000E+01 volume 300.25311 ppm1 8.376 ppm2 2.244 >>ASSI { 2291} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 71 and name HN )) >> 6 6 0 peak 2291 weight 0.1000E+01 volume 166.34280 ppm1 8.376 ppm2 8.115 >>ASSI { 2301} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 2301 weight 0.1000E+01 volume 253.35600 ppm1 8.376 ppm2 3.976 >>ASSI { 2311} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 2311 weight 0.1000E+01 volume 55.31380 ppm1 8.377 ppm2 2.008 >>ASSI { 2321} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 2321 weight 0.1000E+01 volume 32.03940 ppm1 7.273 ppm2 1.086 >>ASSI { 2341} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 2341 weight 0.1000E+01 volume 53.81940 ppm1 8.028 ppm2 7.447 >>ASSI { 2351} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 92 and name HB1 )) >> 6 6 0 peak 2351 weight 0.1000E+01 volume 173.20599 ppm1 7.634 ppm2 3.030 >>ASSI { 2361} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 118 and name HN )) >> 6 6 0 peak 2361 weight 0.1000E+01 volume 376.91119 ppm1 7.613 ppm2 8.036 >>ASSI { 2371} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 119 and name HA )) >> 6 6 0 peak 2371 weight 0.1000E+01 volume 448.29861 ppm1 7.615 ppm2 4.445 >>ASSI { 2381} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 119 and name HB1 )) >> 6 6 0 peak 2381 weight 0.1000E+01 volume 759.92651 ppm1 7.616 ppm2 4.045 >>ASSI { 2391} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 50 and name HB1 )) >> 6 6 0 peak 2391 weight 0.1000E+01 volume 73.26780 ppm1 8.509 ppm2 3.440 >>ASSI { 2401} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 2401 weight 0.1000E+01 volume 534.31708 ppm1 7.832 ppm2 4.019 >>ASSI { 2411} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 2411 weight 0.1000E+01 volume 41.95860 ppm1 7.833 ppm2 2.908 >>ASSI { 2421} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 70 and name HE22 )) >> 6 6 0 peak 2421 weight 0.1000E+01 volume 1976.35010 ppm1 7.312 ppm2 6.815 >>ASSI { 2431} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 2431 weight 0.1000E+01 volume 148.54601 ppm1 7.306 ppm2 2.259 >>ASSI { 2441} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 70 and name HE21 )) >> 6 6 0 peak 2441 weight 0.1000E+01 volume 2336.37427 ppm1 6.815 ppm2 7.312 >>ASSI { 2451} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 2451 weight 0.1000E+01 volume 151.80600 ppm1 6.814 ppm2 2.252 >>ASSI { 2461} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 2461 weight 0.1000E+01 volume 87.54640 ppm1 8.455 ppm2 4.475 >>ASSI { 2471} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 2471 weight 0.1000E+01 volume 53.04910 ppm1 8.458 ppm2 4.284 >>ASSI { 2481} >> (( segid "PROT" and resid 118 and name HE21 )) >> (( segid "PROT" and resid 118 and name HE22 )) >> 6 6 0 peak 2481 weight 0.1000E+01 volume 7213.85693 ppm1 7.594 ppm2 6.770 >>ASSI { 2491} >> (( segid "PROT" and resid 118 and name HE22 )) >> (( segid "PROT" and resid 119 and name HN )) >> 6 6 0 peak 2491 weight 0.1000E+01 volume 7501.99658 ppm1 6.777 ppm2 7.594 >>ASSI { 2501} >> (( segid "PROT" and resid 118 and name HE22 )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 2501 weight 0.1000E+01 volume 40.24470 ppm1 6.779 ppm2 2.510 >>ASSI { 2511} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 2511 weight 0.1000E+01 volume 338.09189 ppm1 7.607 ppm2 4.449 >>ASSI { 2521} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 121 and name HA1 )) >> 6 6 0 peak 2521 weight 0.1000E+01 volume 2613.99658 ppm1 7.607 ppm2 3.846 >>ASSI { 2531} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 120 and name HB1 )) >> 6 6 0 peak 2531 weight 0.1000E+01 volume 467.21979 ppm1 7.606 ppm2 1.797 >>ASSI { 2541} >> (( segid "PROT" and resid 42 and name HE21 )) >> (( segid "PROT" and resid 42 and name HE22 )) >> 6 6 0 peak 2541 weight 0.1000E+01 volume 2553.42993 ppm1 7.656 ppm2 6.874 >>ASSI { 2551} >> (( segid "PROT" and resid 42 and name HE22 )) >> (( segid "PROT" and resid 42 and name HE21 )) >> 6 6 0 peak 2551 weight 0.1000E+01 volume 3712.03394 ppm1 6.878 ppm2 7.659 >>ASSI { 2561} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 2561 weight 0.1000E+01 volume 497.00391 ppm1 8.261 ppm2 4.134 >>ASSI { 2571} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 29 and name HB1 )) >> 6 6 0 peak 2571 weight 0.1000E+01 volume 191.51019 ppm1 8.259 ppm2 2.804 >>ASSI { 2581} >> (( segid "PROT" and resid 16 and name HE21 )) >> (( segid "PROT" and resid 16 and name HG1 )) >> 6 6 0 peak 2581 weight 0.1000E+01 volume 448.50589 ppm1 7.593 ppm2 2.500 >>ASSI { 2591} >> (( segid "PROT" and resid 16 and name HE21 )) >> (( segid "PROT" and resid 16 and name HE22 )) >> 6 6 0 peak 2591 weight 0.1000E+01 volume 8152.99609 ppm1 7.593 ppm2 6.819 >>ASSI { 2601} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 16 and name HE21 )) >> 6 6 0 peak 2601 weight 0.1000E+01 volume 7351.96875 ppm1 6.829 ppm2 7.588 >>ASSI { 2611} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 16 and name HG1 )) >> 6 6 0 peak 2611 weight 0.1000E+01 volume 148.95151 ppm1 6.817 ppm2 2.505 >>ASSI { 2621} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 37 and name HG2 )) >> 6 6 0 peak 2621 weight 0.1000E+01 volume 319.68109 ppm1 7.426 ppm2 2.105 >>ASSI { 2631} >> (( segid "PROT" and resid 86 and name HD22 )) >> (( segid "PROT" and resid 86 and name HD21 )) >> 6 6 0 peak 2631 weight 0.1000E+01 volume 91.06700 ppm1 7.211 ppm2 7.791 >>ASSI { 2641} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 16 and name HB1 )) >> 6 6 0 peak 2641 weight 0.1000E+01 volume 86.49700 ppm1 6.838 ppm2 2.101 >>ASSI { 2651} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 17 and name HN )) >> 6 6 0 peak 2651 weight 0.1000E+01 volume 34.44670 ppm1 7.989 ppm2 7.449 >>ASSI { 2661} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 2661 weight 0.1000E+01 volume 53.00740 ppm1 7.991 ppm2 0.271 >>ASSI { 2671} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 2671 weight 0.1000E+01 volume 428.38641 ppm1 7.990 ppm2 1.358 >>ASSI { 2681} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 2681 weight 0.1000E+01 volume 31.71940 ppm1 7.989 ppm2 4.199 >>ASSI { 2711} >> (( segid "PROT" and resid 75 and name HE1 )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 2711 weight 0.1000E+01 volume 1269.40894 ppm1 10.292 ppm2 7.508 >>ASSI { 2731} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 68 and name HN )) >> 6 6 0 peak 2731 weight 0.1000E+01 volume 60.33340 ppm1 7.429 ppm2 7.746 >>ASSI { 2741} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 68 and name HA )) >> 6 6 0 peak 2741 weight 0.1000E+01 volume 98.04800 ppm1 7.431 ppm2 4.528 >>ASSI { 2751} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 69 and name HA1 )) >> 6 6 0 peak 2751 weight 0.1000E+01 volume 445.68069 ppm1 7.431 ppm2 4.277 >>ASSI { 2761} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 69 and name HA2 )) >> 6 6 0 peak 2761 weight 0.1000E+01 volume 642.67078 ppm1 7.429 ppm2 3.932 >>ASSI { 2771} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 2771 weight 0.1000E+01 volume 71.94930 ppm1 7.281 ppm2 -0.587 >>ASSI { 2781} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 2781 weight 0.1000E+01 volume 22.69140 ppm1 7.388 ppm2 0.984 >>ASSI { 2801} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 2801 weight 0.1000E+01 volume 444.83179 ppm1 8.853 ppm2 4.982 >>ASSI { 2811} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 2811 weight 0.1000E+01 volume 168.98450 ppm1 8.854 ppm2 4.482 >>ASSI { 2821} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 2821 weight 0.1000E+01 volume 109.08310 ppm1 8.852 ppm2 3.092 >>ASSI { 2831} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 2831 weight 0.1000E+01 volume 229.51289 ppm1 7.478 ppm2 1.323 >>ASSI { 2841} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HG11 )) >> 6 6 0 peak 2841 weight 0.1000E+01 volume 88.35650 ppm1 8.938 ppm2 1.441 >>ASSI { 2851} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 8 and name HN )) >> 6 6 0 peak 2851 weight 0.1000E+01 volume 25.84730 ppm1 8.938 ppm2 8.036 >>ASSI { 2861} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 2861 weight 0.1000E+01 volume 246.94420 ppm1 8.450 ppm2 4.079 >>ASSI { 2871} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 2871 weight 0.1000E+01 volume 106.93270 ppm1 8.450 ppm2 1.204 >>ASSI { 2881} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 2881 weight 0.1000E+01 volume 36.18050 ppm1 8.452 ppm2 -0.587 >>ASSI { 2891} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 68 and name HA )) >> 6 6 0 peak 2891 weight 0.1000E+01 volume 190.92650 ppm1 7.748 ppm2 4.526 >>ASSI { 2901} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 2901 weight 0.1000E+01 volume 21.23220 ppm1 7.745 ppm2 2.866 >>ASSI { 2911} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 2911 weight 0.1000E+01 volume 141.89230 ppm1 7.748 ppm2 1.232 >>ASSI { 2921} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 21 and name HN )) >> 6 6 0 peak 2921 weight 0.1000E+01 volume 136.17210 ppm1 7.047 ppm2 7.482 >>ASSI { 2931} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 2931 weight 0.1000E+01 volume 76.98230 ppm1 7.048 ppm2 4.304 >>ASSI { 2941} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 61 and name HA )) >> 6 6 0 peak 2941 weight 0.1000E+01 volume 84.71430 ppm1 7.286 ppm2 3.911 >>ASSI { 2951} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 2951 weight 0.1000E+01 volume 198.93460 ppm1 7.990 ppm2 1.006 >>ASSI { 2961} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 2961 weight 0.1000E+01 volume 37.97660 ppm1 9.474 ppm2 5.045 >>ASSI { 2971} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 2971 weight 0.1000E+01 volume 26.19320 ppm1 9.226 ppm2 3.981 >>ASSI { 2981} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 9 and name HN )) >> 6 6 0 peak 2981 weight 0.1000E+01 volume 65.84580 ppm1 9.225 ppm2 8.944 >>ASSI { 2991} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 2991 weight 0.1000E+01 volume 152.86000 ppm1 9.226 ppm2 7.333 >>ASSI { 3011} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 31 and name HB1 )) >> 6 6 0 peak 3011 weight 0.1000E+01 volume 78.35430 ppm1 8.011 ppm2 1.588 >>ASSI { 3021} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 3021 weight 0.1000E+01 volume 36.34390 ppm1 8.012 ppm2 0.546 >>ASSI { 3031} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 32 and name HB2 )) >> 6 6 0 peak 3031 weight 0.1000E+01 volume 68.53570 ppm1 8.010 ppm2 3.680 >>ASSI { 3041} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 3041 weight 0.1000E+01 volume 110.82140 ppm1 8.012 ppm2 4.382 >>ASSI { 3051} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 3051 weight 0.1000E+01 volume 53.19300 ppm1 8.675 ppm2 3.333 >>ASSI { 3061} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 3061 weight 0.1000E+01 volume 92.09610 ppm1 8.675 ppm2 4.428 >>ASSI { 3071} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 19 and name HG1 )) >> 6 6 0 peak 3071 weight 0.1000E+01 volume 29.84210 ppm1 8.674 ppm2 2.668 >>ASSI { 3081} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 3081 weight 0.1000E+01 volume 297.84171 ppm1 7.662 ppm2 0.585 >>ASSI { 3091} >> (( segid "PROT" and resid 94 and name HN )) >> (( segid "PROT" and resid 94 and name HB2 )) >> 6 6 0 peak 3091 weight 0.1000E+01 volume 26.04190 ppm1 8.824 ppm2 1.739 >>ASSI { 3101} >> (( segid "PROT" and resid 94 and name HN )) >> (( segid "PROT" and resid 94 and name HG1 )) >> 6 6 0 peak 3101 weight 0.1000E+01 volume 29.79780 ppm1 8.815 ppm2 1.403 >>ASSI { 3111} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HN )) >> 6 6 0 peak 3111 weight 0.1000E+01 volume 35.95540 ppm1 8.618 ppm2 7.182 >>ASSI { 3121} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 3121 weight 0.1000E+01 volume 58.28810 ppm1 8.617 ppm2 1.862 >>ASSI { 3131} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 3131 weight 0.1000E+01 volume 168.71780 ppm1 6.978 ppm2 2.051 >>ASSI { 3141} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 110 and name HA )) >> 6 6 0 peak 3141 weight 0.1000E+01 volume 69.04790 ppm1 6.977 ppm2 3.991 >>ASSI { 3151} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 93 and name HB2 )) >> 6 6 0 peak 3151 weight 0.1000E+01 volume 16.12510 ppm1 6.880 ppm2 1.734 >>ASSI { 3161} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 94 and name HB1 )) >> 6 6 0 peak 3161 weight 0.1000E+01 volume 78.81520 ppm1 6.879 ppm2 1.397 >>ASSI { 3171} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 95 and name HG2# )) >> 6 6 0 peak 3171 weight 0.1000E+01 volume 185.35271 ppm1 6.878 ppm2 1.129 >>ASSI { 3191} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 3191 weight 0.1000E+01 volume 125.16020 ppm1 7.997 ppm2 2.053 >>ASSI { 3201} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 3201 weight 0.1000E+01 volume 59.06270 ppm1 7.996 ppm2 1.715 >>ASSI { 3221} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 3221 weight 0.1000E+01 volume 27.77840 ppm1 7.168 ppm2 1.164 >>ASSI { 3231} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 3231 weight 0.1000E+01 volume 52.86650 ppm1 6.444 ppm2 0.844 >>ASSI { 3241} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 3241 weight 0.1000E+01 volume 45.73490 ppm1 7.408 ppm2 0.344 >>ASSI { 3251} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 3251 weight 0.1000E+01 volume 26.08310 ppm1 7.409 ppm2 3.355 >>ASSI { 3261} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 89 and name HB2 )) >> 6 6 0 peak 3261 weight 0.1000E+01 volume 74.83130 ppm1 7.311 ppm2 3.112 >>ASSI { 3271} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 3271 weight 0.1000E+01 volume 184.35710 ppm1 9.171 ppm2 7.064 >>ASSI { 3281} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 3281 weight 0.1000E+01 volume 90.04870 ppm1 9.169 ppm2 3.638 >>ASSI { 3291} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 3291 weight 0.1000E+01 volume 175.93210 ppm1 9.170 ppm2 1.588 >>ASSI { 3301} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 3301 weight 0.1000E+01 volume 294.46960 ppm1 7.262 ppm2 2.004 >>ASSI { 3311} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 3311 weight 0.1000E+01 volume 58.19740 ppm1 7.266 ppm2 4.254 >>ASSI { 3321} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 73 and name HN )) >> 6 6 0 peak 3321 weight 0.1000E+01 volume 110.72500 ppm1 8.903 ppm2 7.662 >>ASSI { 3331} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 3331 weight 0.1000E+01 volume 19.50260 ppm1 8.901 ppm2 6.887 >>ASSI { 3341} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 3341 weight 0.1000E+01 volume 28.60060 ppm1 8.899 ppm2 4.298 >>ASSI { 3351} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 3351 weight 0.1000E+01 volume 76.35150 ppm1 7.963 ppm2 7.011 >>ASSI { 3361} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 3361 weight 0.1000E+01 volume 49.81970 ppm1 7.961 ppm2 4.153 >>ASSI { 3371} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 3371 weight 0.1000E+01 volume 153.43420 ppm1 7.964 ppm2 3.398 >>ASSI { 3381} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 3381 weight 0.1000E+01 volume 91.03400 ppm1 7.964 ppm2 1.463 >>ASSI { 3391} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 3391 weight 0.1000E+01 volume 93.16120 ppm1 7.790 ppm2 2.509 >>ASSI { 3401} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 3401 weight 0.1000E+01 volume 77.52170 ppm1 7.793 ppm2 4.140 >>ASSI { 3411} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 109 and name HN )) >> 6 6 0 peak 3411 weight 0.1000E+01 volume 95.03210 ppm1 7.789 ppm2 9.075 >>ASSI { 3421} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 3421 weight 0.1000E+01 volume 107.29930 ppm1 6.291 ppm2 6.724 >>ASSI { 3431} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 3431 weight 0.1000E+01 volume 62.17530 ppm1 6.290 ppm2 3.787 >>ASSI { 3441} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 3441 weight 0.1000E+01 volume 129.75720 ppm1 6.290 ppm2 2.655 >>ASSI { 3451} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 3451 weight 0.1000E+01 volume 54.46630 ppm1 8.544 ppm2 2.731 >>ASSI { 3461} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 3461 weight 0.1000E+01 volume 59.91900 ppm1 8.545 ppm2 3.077 >>ASSI { 3471} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 3471 weight 0.1000E+01 volume 37.77280 ppm1 8.569 ppm2 0.829 >>ASSI { 3481} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 14 and name HN )) >> 6 6 0 peak 3481 weight 0.1000E+01 volume 427.45901 ppm1 7.203 ppm2 7.859 >>ASSI { 3491} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 12 and name HN )) >> 6 6 0 peak 3491 weight 0.1000E+01 volume 64.90770 ppm1 7.208 ppm2 9.749 >>ASSI { 3501} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 3501 weight 0.1000E+01 volume 70.05410 ppm1 9.132 ppm2 1.222 >>ASSI { 3511} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 3511 weight 0.1000E+01 volume 57.77100 ppm1 7.964 ppm2 2.234 >>ASSI { 3521} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 22 and name HN )) >> 6 6 0 peak 3521 weight 0.1000E+01 volume 78.65480 ppm1 8.767 ppm2 7.038 >>ASSI { 3531} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 3531 weight 0.1000E+01 volume 81.11500 ppm1 8.764 ppm2 4.439 >>ASSI { 3541} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 23 and name HA )) >> 6 6 0 peak 3541 weight 0.1000E+01 volume 97.01350 ppm1 8.766 ppm2 4.025 >>ASSI { 3551} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 88 and name HN )) >> 6 6 0 peak 3551 weight 0.1000E+01 volume 103.10170 ppm1 8.664 ppm2 7.304 >>ASSI { 3561} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 3561 weight 0.1000E+01 volume 40.63860 ppm1 9.077 ppm2 3.041 >>ASSI { 3571} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 108 and name HB )) >> 6 6 0 peak 3571 weight 0.1000E+01 volume 104.60520 ppm1 9.079 ppm2 2.171 >>ASSI { 3581} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 3581 weight 0.1000E+01 volume 68.77570 ppm1 8.924 ppm2 1.113 >>ASSI { 3591} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 3591 weight 0.1000E+01 volume 476.14499 ppm1 8.922 ppm2 2.760 >>ASSI { 3601} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 51 and name HB2 )) >> 6 6 0 peak 3601 weight 0.1000E+01 volume 17.56420 ppm1 7.182 ppm2 2.711 >>ASSI { 3611} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 3611 weight 0.1000E+01 volume 66.48020 ppm1 7.179 ppm2 1.867 >>ASSI { 3621} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 3621 weight 0.1000E+01 volume 25.36770 ppm1 7.185 ppm2 1.424 >>ASSI { 3631} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 3631 weight 0.1000E+01 volume 86.76710 ppm1 7.183 ppm2 1.034 >>ASSI { 3641} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 3641 weight 0.1000E+01 volume 114.93140 ppm1 9.079 ppm2 7.027 >>ASSI { 3651} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 3651 weight 0.1000E+01 volume 543.20508 ppm1 8.766 ppm2 2.054 >>ASSI { 3661} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 3661 weight 0.1000E+01 volume 225.19160 ppm1 8.774 ppm2 1.122 >>ASSI { 3671} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 3671 weight 0.1000E+01 volume 29.36340 ppm1 7.180 ppm2 4.011 >>ASSI { 3681} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 23 and name HN )) >> 6 6 0 peak 3681 weight 0.1000E+01 volume 174.98650 ppm1 7.577 ppm2 8.770 >>ASSI { 3691} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 3691 weight 0.1000E+01 volume 19.34700 ppm1 8.009 ppm2 4.454 >>ASSI { 3701} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 3701 weight 0.1000E+01 volume 85.93380 ppm1 9.078 ppm2 3.358 >>ASSI { 3711} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 3711 weight 0.1000E+01 volume 167.24530 ppm1 7.487 ppm2 4.147 >>ASSI { 3721} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 3721 weight 0.1000E+01 volume 59.37840 ppm1 8.014 ppm2 3.625 >>ASSI { 3731} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 3731 weight 0.1000E+01 volume 7.68130 ppm1 8.016 ppm2 3.412 >>ASSI { 3741} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 108 and name HN )) >> 6 6 0 peak 3741 weight 0.1000E+01 volume 177.63910 ppm1 7.487 ppm2 7.798 >>ASSI { 3751} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 85 and name HN )) >> 6 6 0 peak 3751 weight 0.1000E+01 volume 198.63710 ppm1 9.601 ppm2 7.485 >>ASSI { 3761} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 3761 weight 0.1000E+01 volume 172.94820 ppm1 9.604 ppm2 3.138 >>ASSI { 3771} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 3771 weight 0.1000E+01 volume 141.57570 ppm1 9.603 ppm2 2.930 >>ASSI { 3781} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 116 and name HB )) >> 6 6 0 peak 3781 weight 0.1000E+01 volume 934.59412 ppm1 8.460 ppm2 2.047 >>ASSI { 3791} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 3791 weight 0.1000E+01 volume 131.52690 ppm1 8.459 ppm2 0.647 >>ASSI { 3801} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 103 and name HB2 )) >> 6 6 0 peak 3801 weight 0.1000E+01 volume 17.87900 ppm1 7.764 ppm2 4.089 >>ASSI { 3811} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 3811 weight 0.1000E+01 volume 242.38840 ppm1 7.758 ppm2 1.720 >>ASSI { 3831} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 99 and name HD1 )) >> 6 6 0 peak 3831 weight 0.1000E+01 volume 20.51730 ppm1 7.861 ppm2 7.122 >>ASSI { 3851} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HB1 )) >> 6 6 0 peak 3851 weight 0.1000E+01 volume 393.57800 ppm1 8.423 ppm2 2.236 >>ASSI { 3861} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 92 and name HA )) >> 6 6 0 peak 3861 weight 0.1000E+01 volume 189.64650 ppm1 8.796 ppm2 4.643 >>ASSI { 3871} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 13 and name HN )) >> 6 6 0 peak 3871 weight 0.1000E+01 volume 103.38160 ppm1 9.748 ppm2 7.201 >>ASSI { 3881} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 3881 weight 0.1000E+01 volume 24.73200 ppm1 8.034 ppm2 0.785 >>ASSI { 3891} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 3891 weight 0.1000E+01 volume 48.74400 ppm1 7.812 ppm2 1.175 >>ASSI { 3901} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 63 and name HE1 )) >> 6 6 0 peak 3901 weight 0.1000E+01 volume 41.62970 ppm1 7.812 ppm2 2.868 >>ASSI { 3911} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 115 and name HA )) >> 6 6 0 peak 3911 weight 0.1000E+01 volume 136.61411 ppm1 6.560 ppm2 4.288 >>ASSI { 3921} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 112 and name HG1 )) >> 6 6 0 peak 3921 weight 0.1000E+01 volume 80.02820 ppm1 8.831 ppm2 2.510 >>ASSI { 3931} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 3931 weight 0.1000E+01 volume 21.75080 ppm1 8.828 ppm2 1.758 >>ASSI { 3941} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 3941 weight 0.1000E+01 volume 92.07550 ppm1 8.830 ppm2 1.278 >>ASSI { 3951} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 3951 weight 0.1000E+01 volume 431.53281 ppm1 8.833 ppm2 0.714 >>ASSI { 3961} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 3961 weight 0.1000E+01 volume 7.68960 ppm1 8.115 ppm2 0.850 >>ASSI { 3971} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 3971 weight 0.1000E+01 volume 129.64140 ppm1 8.114 ppm2 6.869 >>ASSI { 3981} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 3981 weight 0.1000E+01 volume 133.68919 ppm1 7.164 ppm2 3.940 >>ASSI { 3991} >> (( segid "PROT" and resid 36 and name HH12 )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 3991 weight 0.1000E+01 volume 23.45500 ppm1 7.168 ppm2 3.234 >>ASSI { 4001} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 4001 weight 0.1000E+01 volume 74.69580 ppm1 7.167 ppm2 1.908 >>ASSI { 4011} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 4011 weight 0.1000E+01 volume 29.09990 ppm1 8.113 ppm2 1.105 >>ASSI { 4021} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 27 and name HN )) >> 6 6 0 peak 4021 weight 0.1000E+01 volume 287.72650 ppm1 7.292 ppm2 7.848 >>ASSI { 4031} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 4031 weight 0.1000E+01 volume 17.10630 ppm1 7.304 ppm2 1.446 >>ASSI { 4041} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 4041 weight 0.1000E+01 volume 649.83539 ppm1 7.292 ppm2 2.067 >>ASSI { 4051} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 4051 weight 0.1000E+01 volume 105.88350 ppm1 7.295 ppm2 3.704 >>ASSI { 4061} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 18 and name HN )) >> 6 6 0 peak 4061 weight 0.1000E+01 volume 192.48421 ppm1 7.447 ppm2 7.993 >>ASSI { 4071} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 4071 weight 0.1000E+01 volume 29.64480 ppm1 7.451 ppm2 0.789 >>ASSI { 4081} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 4081 weight 0.1000E+01 volume 41.00420 ppm1 7.448 ppm2 0.273 >>ASSI { 4091} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 4091 weight 0.1000E+01 volume 151.33760 ppm1 8.589 ppm2 5.244 >>ASSI { 4101} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 4101 weight 0.1000E+01 volume 246.04610 ppm1 8.590 ppm2 1.656 >>ASSI { 4111} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 4111 weight 0.1000E+01 volume 76.96890 ppm1 8.590 ppm2 1.099 >>ASSI { 4121} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 4121 weight 0.1000E+01 volume 216.37140 ppm1 8.432 ppm2 4.576 >>ASSI { 4131} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HN )) >> 6 6 0 peak 4131 weight 0.1000E+01 volume 79.33880 ppm1 7.894 ppm2 7.277 >>ASSI { 4141} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 4141 weight 0.1000E+01 volume 1065.32288 ppm1 7.894 ppm2 2.910 >>ASSI { 4151} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 17 and name HA )) >> 6 6 0 peak 4151 weight 0.1000E+01 volume 548.13220 ppm1 7.446 ppm2 4.188 >>ASSI { 4161} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 4161 weight 0.1000E+01 volume 67.86320 ppm1 8.558 ppm2 3.038 >>ASSI { 4171} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 4171 weight 0.1000E+01 volume 31.67220 ppm1 8.555 ppm2 3.367 >>ASSI { 4181} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 4181 weight 0.1000E+01 volume 66.08200 ppm1 8.556 ppm2 0.900 >>ASSI { 4191} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 15 and name HN )) >> 6 6 0 peak 4191 weight 0.1000E+01 volume 202.81100 ppm1 7.789 ppm2 8.147 >>ASSI { 4201} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 17 and name HN )) >> 6 6 0 peak 4201 weight 0.1000E+01 volume 212.29050 ppm1 7.787 ppm2 7.445 >>ASSI { 4211} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 14 and name HB2 )) >> 6 6 0 peak 4211 weight 0.1000E+01 volume 124.23880 ppm1 7.789 ppm2 1.371 >>ASSI { 4221} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HN )) >> 6 6 0 peak 4221 weight 0.1000E+01 volume 57.59720 ppm1 8.240 ppm2 8.816 >>ASSI { 4231} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 61 and name HN )) >> 6 6 0 peak 4231 weight 0.1000E+01 volume 35.10890 ppm1 8.237 ppm2 7.284 >>ASSI { 4241} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 60 and name HA )) >> 6 6 0 peak 4241 weight 0.1000E+01 volume 162.92340 ppm1 8.234 ppm2 4.248 >>ASSI { 4251} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 60 and name HB2 )) >> 6 6 0 peak 4251 weight 0.1000E+01 volume 152.43320 ppm1 8.238 ppm2 3.951 >>ASSI { 4261} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 63 and name HB1 )) >> 6 6 0 peak 4261 weight 0.1000E+01 volume 13.60650 ppm1 8.235 ppm2 1.978 >>ASSI { 4271} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 4271 weight 0.1000E+01 volume 15.38880 ppm1 8.234 ppm2 1.141 >>ASSI { 4281} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 4281 weight 0.1000E+01 volume 352.75681 ppm1 7.923 ppm2 6.968 >>ASSI { 4291} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 4291 weight 0.1000E+01 volume 112.19710 ppm1 7.911 ppm2 3.762 >>ASSI { 4301} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 4301 weight 0.1000E+01 volume 27.68830 ppm1 7.912 ppm2 2.761 >>ASSI { 4311} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 74 and name HB1 )) >> 6 6 0 peak 4311 weight 0.1000E+01 volume 153.01340 ppm1 7.911 ppm2 1.820 >>ASSI { 4321} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 4321 weight 0.1000E+01 volume 118.68230 ppm1 7.949 ppm2 0.887 >>ASSI { 4331} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 4331 weight 0.1000E+01 volume 19.47900 ppm1 7.951 ppm2 -0.258 >>ASSI { 4341} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 110 and name HN )) >> 6 6 0 peak 4341 weight 0.1000E+01 volume 241.36320 ppm1 7.329 ppm2 8.560 >>ASSI { 4351} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 4351 weight 0.1000E+01 volume 292.46078 ppm1 7.756 ppm2 3.764 >>ASSI { 4361} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 4361 weight 0.1000E+01 volume 66.39120 ppm1 8.038 ppm2 3.232 >>ASSI { 4381} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 69 and name HN )) >> 6 6 0 peak 4381 weight 0.1000E+01 volume 77.62330 ppm1 8.377 ppm2 7.428 >>ASSI { 4391} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 69 and name HA1 )) >> 6 6 0 peak 4391 weight 0.1000E+01 volume 79.37280 ppm1 8.376 ppm2 4.281 >>ASSI { 4401} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 4401 weight 0.1000E+01 volume 104.42640 ppm1 8.378 ppm2 1.094 >>ASSI { 4411} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 4411 weight 0.1000E+01 volume 165.56641 ppm1 7.272 ppm2 4.104 >>ASSI { 4421} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 4421 weight 0.1000E+01 volume 208.32950 ppm1 7.273 ppm2 1.421 >>ASSI { 4431} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 4431 weight 0.1000E+01 volume 119.76340 ppm1 8.028 ppm2 2.197 >>ASSI { 4441} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 4441 weight 0.1000E+01 volume 1115.61731 ppm1 7.610 ppm2 2.091 >>ASSI { 4451} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 4451 weight 0.1000E+01 volume 94.03080 ppm1 7.609 ppm2 0.893 >>ASSI { 4471} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 92 and name HA )) >> 6 6 0 peak 4471 weight 0.1000E+01 volume 104.48820 ppm1 7.634 ppm2 4.645 >>ASSI { 4481} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 88 and name HA )) >> 6 6 0 peak 4481 weight 0.1000E+01 volume 73.13490 ppm1 7.638 ppm2 4.332 >>ASSI { 4491} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 51 and name HN )) >> 6 6 0 peak 4491 weight 0.1000E+01 volume 108.90380 ppm1 8.508 ppm2 7.639 >>ASSI { 4501} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 4501 weight 0.1000E+01 volume 223.08060 ppm1 8.510 ppm2 7.428 >>ASSI { 4511} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 4511 weight 0.1000E+01 volume 206.79539 ppm1 8.506 ppm2 4.865 >>ASSI { 4521} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 50 and name HB2 )) >> 6 6 0 peak 4521 weight 0.1000E+01 volume 271.98889 ppm1 8.510 ppm2 2.964 >>ASSI { 4531} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 4531 weight 0.1000E+01 volume 26.05920 ppm1 8.509 ppm2 1.056 >>ASSI { 4541} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 28 and name HN )) >> 6 6 0 peak 4541 weight 0.1000E+01 volume 150.56911 ppm1 7.830 ppm2 7.288 >>ASSI { 4551} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 27 and name HB1 )) >> 6 6 0 peak 4551 weight 0.1000E+01 volume 522.45898 ppm1 7.833 ppm2 1.874 >>ASSI { 4561} >> (( segid "PROT" and resid 118 and name HE21 )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 4561 weight 0.1000E+01 volume 202.63429 ppm1 7.591 ppm2 2.504 >>ASSI { 4571} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 35 and name HZ )) >> 6 6 0 peak 4571 weight 0.1000E+01 volume 63.45130 ppm1 8.459 ppm2 7.006 >>ASSI { 4581} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 4581 weight 0.1000E+01 volume 98.31890 ppm1 8.457 ppm2 3.177 >>ASSI { 4591} >> (( segid "PROT" and resid 118 and name HE21 )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 4591 weight 0.1000E+01 volume 78.79260 ppm1 7.593 ppm2 2.526 >>ASSI { 4601} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 4601 weight 0.1000E+01 volume 99.15140 ppm1 7.604 ppm2 2.186 >>ASSI { 4611} >> (( segid "PROT" and resid 37 and name HE22 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 4611 weight 0.1000E+01 volume 40.09810 ppm1 6.838 ppm2 4.365 >>ASSI { 4621} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 16 and name HB1 )) >> 6 6 0 peak 4621 weight 0.1000E+01 volume 235.31190 ppm1 6.828 ppm2 2.241 >>ASSI { 4641} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 19 and name HN )) >> 6 6 0 peak 4641 weight 0.1000E+01 volume 53.49790 ppm1 7.991 ppm2 8.684 >>ASSI { 4671} >> (( segid "PROT" and resid 75 and name HE1 )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 4671 weight 0.1000E+01 volume 15.32340 ppm1 10.289 ppm2 4.272 >>ASSI { 4681} >> (( segid "PROT" and resid 75 and name HE1 )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 4681 weight 0.1000E+01 volume 22.67620 ppm1 10.288 ppm2 3.269 >>ASSI { 4701} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 70 and name HG1 )) >> 6 6 0 peak 4701 weight 0.1000E+01 volume 126.08520 ppm1 7.430 ppm2 2.250 >>ASSI { 4711} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 4711 weight 0.1000E+01 volume 30.57480 ppm1 7.432 ppm2 1.236 >>ASSI { 4721} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 4721 weight 0.1000E+01 volume 21.64860 ppm1 7.277 ppm2 5.042 >>ASSI { 4731} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 40 and name HB2 )) >> 6 6 0 peak 4731 weight 0.1000E+01 volume 40.71900 ppm1 7.277 ppm2 2.379 >>ASSI { 4741} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 42 and name HN )) >> 6 6 0 peak 4741 weight 0.1000E+01 volume 274.08020 ppm1 7.389 ppm2 7.866 >>ASSI { 4761} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 103 and name HN )) >> 6 6 0 peak 4761 weight 0.1000E+01 volume 199.32770 ppm1 8.854 ppm2 8.455 >>ASSI { 4771} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 4771 weight 0.1000E+01 volume 168.29620 ppm1 8.855 ppm2 4.289 >>ASSI { 4781} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 4781 weight 0.1000E+01 volume 37.07700 ppm1 8.851 ppm2 0.912 >>ASSI { 4791} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 4791 weight 0.1000E+01 volume 51.44830 ppm1 10.508 ppm2 4.029 >>ASSI { 4801} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 4801 weight 0.1000E+01 volume 40.45070 ppm1 10.508 ppm2 3.334 >>ASSI { 4821} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 4821 weight 0.1000E+01 volume 22.12370 ppm1 7.478 ppm2 3.339 >>ASSI { 4831} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 4831 weight 0.1000E+01 volume 35.22920 ppm1 8.937 ppm2 0.292 >>ASSI { 4841} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 39 and name HA )) >> 6 6 0 peak 4841 weight 0.1000E+01 volume 26.82670 ppm1 8.448 ppm2 3.117 >>ASSI { 4851} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 30 and name HG2 )) >> 6 6 0 peak 4851 weight 0.1000E+01 volume 114.19540 ppm1 9.477 ppm2 1.049 >>ASSI { 4861} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 32 and name HN )) >> 6 6 0 peak 4861 weight 0.1000E+01 volume 120.12590 ppm1 9.474 ppm2 8.005 >>ASSI { 4871} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 4871 weight 0.1000E+01 volume 154.66130 ppm1 7.386 ppm2 1.493 >>ASSI { 4881} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 4881 weight 0.1000E+01 volume 198.23599 ppm1 8.447 ppm2 0.406 >>ASSI { 4891} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 69 and name HN )) >> 6 6 0 peak 4891 weight 0.1000E+01 volume 181.57390 ppm1 7.752 ppm2 7.434 >>ASSI { 4901} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 4901 weight 0.1000E+01 volume 97.66040 ppm1 7.286 ppm2 4.253 >>ASSI { 4921} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 4921 weight 0.1000E+01 volume 31.90580 ppm1 7.989 ppm2 4.383 >>ASSI { 4931} >> (( segid "PROT" and resid 6 and name HN )) >> (( segid "PROT" and resid 5 and name HD1 )) >> 6 6 0 peak 4931 weight 0.1000E+01 volume 2.25360 ppm1 8.420 ppm2 3.140 >>ASSI { 4941} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HB1 )) >> 6 6 0 peak 4941 weight 0.1000E+01 volume 55.80430 ppm1 8.677 ppm2 1.363 >>ASSI { 4961} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 4961 weight 0.1000E+01 volume 71.04620 ppm1 8.674 ppm2 0.273 >>ASSI { 4971} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 4971 weight 0.1000E+01 volume 410.29721 ppm1 8.620 ppm2 0.580 >>ASSI { 4981} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 48 and name HN )) >> 6 6 0 peak 4981 weight 0.1000E+01 volume 288.73389 ppm1 7.996 ppm2 8.432 >>ASSI { 4991} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HD1 )) >> 6 6 0 peak 4991 weight 0.1000E+01 volume 43.44610 ppm1 8.473 ppm2 1.543 >>ASSI { 5001} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 5001 weight 0.1000E+01 volume 64.15410 ppm1 8.475 ppm2 1.128 >>ASSI { 5011} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HB2 )) >> 6 6 0 peak 5011 weight 0.1000E+01 volume 137.37691 ppm1 8.472 ppm2 0.579 >>ASSI { 5021} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 43 and name HA )) >> 6 6 0 peak 5021 weight 0.1000E+01 volume 332.40961 ppm1 7.413 ppm2 4.014 >>ASSI { 5031} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 5031 weight 0.1000E+01 volume 15.15560 ppm1 7.408 ppm2 -1.492 >>ASSI { 5041} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 87 and name HB2 )) >> 6 6 0 peak 5041 weight 0.1000E+01 volume 46.56090 ppm1 7.311 ppm2 2.746 >>ASSI { 5051} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 5051 weight 0.1000E+01 volume 33.91660 ppm1 7.318 ppm2 3.381 >>ASSI { 5061} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 87 and name HN )) >> 6 6 0 peak 5061 weight 0.1000E+01 volume 121.39080 ppm1 7.311 ppm2 8.936 >>ASSI { 5071} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 89 and name HN )) >> 6 6 0 peak 5071 weight 0.1000E+01 volume 86.53390 ppm1 7.308 ppm2 8.660 >>ASSI { 5081} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 98 and name HN )) >> 6 6 0 peak 5081 weight 0.1000E+01 volume 7.65700 ppm1 9.164 ppm2 8.031 >>ASSI { 5091} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 5091 weight 0.1000E+01 volume 125.21820 ppm1 7.263 ppm2 5.065 >>ASSI { 5101} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 5101 weight 0.1000E+01 volume 18.93690 ppm1 8.569 ppm2 3.710 >>ASSI { 5111} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 5111 weight 0.1000E+01 volume 47.24100 ppm1 6.291 ppm2 3.372 >>ASSI { 5121} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 76 and name HB1 )) >> 6 6 0 peak 5121 weight 0.1000E+01 volume 23.29250 ppm1 6.290 ppm2 2.261 >>ASSI { 5131} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 5131 weight 0.1000E+01 volume 210.87860 ppm1 6.291 ppm2 1.793 >>ASSI { 5141} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 5141 weight 0.1000E+01 volume 17.67170 ppm1 9.131 ppm2 0.834 >>ASSI { 5151} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 15 and name HN )) >> 6 6 0 peak 5151 weight 0.1000E+01 volume 72.35660 ppm1 7.857 ppm2 8.150 >>ASSI { 5161} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 5161 weight 0.1000E+01 volume 17.86340 ppm1 8.662 ppm2 4.449 >>ASSI { 5171} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 51 and name HB1 )) >> 6 6 0 peak 5171 weight 0.1000E+01 volume 76.10050 ppm1 7.180 ppm2 2.941 >>ASSI { 5181} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 5181 weight 0.1000E+01 volume 107.76230 ppm1 8.830 ppm2 2.032 >>ASSI { 5191} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 5191 weight 0.1000E+01 volume 75.80840 ppm1 7.895 ppm2 2.287 >>ASSI { 5201} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 5201 weight 0.1000E+01 volume 8.90520 ppm1 7.898 ppm2 0.655 >>ASSI { 5211} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 5211 weight 0.1000E+01 volume 229.31390 ppm1 7.268 ppm2 0.666 >>ASSI { 5221} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 26 and name HN )) >> 6 6 0 peak 5221 weight 0.1000E+01 volume 113.33280 ppm1 7.268 ppm2 7.897 >>ASSI { 5231} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 35 and name HB1 )) >> 6 6 0 peak 5231 weight 0.1000E+01 volume 183.27690 ppm1 8.027 ppm2 3.828 >>ASSI { 5241} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HB1 )) >> 6 6 0 peak 5241 weight 0.1000E+01 volume 142.37379 ppm1 8.510 ppm2 2.729 >>ASSI { 5261} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 70 and name HN )) >> 6 6 0 peak 5261 weight 0.1000E+01 volume 136.40469 ppm1 7.431 ppm2 8.378 >>ASSI { 5271} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 40 and name HB1 )) >> 6 6 0 peak 5271 weight 0.1000E+01 volume 76.12340 ppm1 7.278 ppm2 2.915 >>ASSI { 5281} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 5281 weight 0.1000E+01 volume 152.21420 ppm1 7.277 ppm2 1.520 >>ASSI { 5291} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 5291 weight 0.1000E+01 volume 370.57770 ppm1 7.387 ppm2 4.080 >>ASSI { 5301} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 5301 weight 0.1000E+01 volume 100.73710 ppm1 7.384 ppm2 1.699 >>ASSI { 5331} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 5331 weight 0.1000E+01 volume 110.03410 ppm1 8.853 ppm2 2.724 >>ASSI { 5341} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 5341 weight 0.1000E+01 volume 26.00880 ppm1 8.852 ppm2 1.738 >>ASSI { 5351} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 77 and name HH )) >> 6 6 0 peak 5351 weight 0.1000E+01 volume 86.37690 ppm1 7.476 ppm2 5.827 >>ASSI { 5361} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 5361 weight 0.1000E+01 volume 74.47160 ppm1 7.479 ppm2 4.439 >>ASSI { 5371} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 20 and name HD1 )) >> 6 6 0 peak 5371 weight 0.1000E+01 volume 15.38450 ppm1 7.484 ppm2 3.632 >>ASSI { 5381} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 38 and name HB1 )) >> 6 6 0 peak 5381 weight 0.1000E+01 volume 65.41110 ppm1 8.450 ppm2 2.281 >>ASSI { 5391} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 67 and name HN )) >> 6 6 0 peak 5391 weight 0.1000E+01 volume 81.75290 ppm1 7.752 ppm2 9.137 >>ASSI { 5401} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 5401 weight 0.1000E+01 volume 98.62250 ppm1 7.751 ppm2 2.616 >>ASSI { 5411} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 5411 weight 0.1000E+01 volume 42.65090 ppm1 7.750 ppm2 1.899 >>ASSI { 5421} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 23 and name HN )) >> 6 6 0 peak 5421 weight 0.1000E+01 volume 83.04140 ppm1 7.048 ppm2 8.774 >>ASSI { 5431} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 77 and name HH )) >> 6 6 0 peak 5431 weight 0.1000E+01 volume 49.51730 ppm1 7.048 ppm2 5.832 >>ASSI { 5441} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 22 and name HB2 )) >> 6 6 0 peak 5441 weight 0.1000E+01 volume 153.36940 ppm1 7.045 ppm2 2.057 >>ASSI { 5451} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 5451 weight 0.1000E+01 volume 84.01220 ppm1 7.046 ppm2 1.316 >>ASSI { 5461} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 5461 weight 0.1000E+01 volume 119.58160 ppm1 7.047 ppm2 1.103 >>ASSI { 5471} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 5471 weight 0.1000E+01 volume 87.48740 ppm1 7.285 ppm2 1.151 >>ASSI { 5481} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 28 and name HN )) >> 6 6 0 peak 5481 weight 0.1000E+01 volume 104.67060 ppm1 9.477 ppm2 7.257 >>ASSI { 5491} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 31 and name HG1 )) >> 6 6 0 peak 5491 weight 0.1000E+01 volume 329.31949 ppm1 9.474 ppm2 2.284 >>ASSI { 5501} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 5501 weight 0.1000E+01 volume 34.67380 ppm1 9.477 ppm2 0.550 >>ASSI { 5511} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 12 and name HN )) >> 6 6 0 peak 5511 weight 0.1000E+01 volume 4.79750 ppm1 9.230 ppm2 9.741 >>ASSI { 5521} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 31 and name HN )) >> 6 6 0 peak 5521 weight 0.1000E+01 volume 44.62550 ppm1 8.009 ppm2 9.470 >>ASSI { 5531} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 5531 weight 0.1000E+01 volume 23.54300 ppm1 8.009 ppm2 7.291 >>ASSI { 5541} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 5541 weight 0.1000E+01 volume 16.20610 ppm1 8.007 ppm2 5.027 >>ASSI { 5551} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 5551 weight 0.1000E+01 volume 86.79380 ppm1 8.009 ppm2 4.135 >>ASSI { 5561} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 29 and name HB1 )) >> 6 6 0 peak 5561 weight 0.1000E+01 volume 54.43560 ppm1 8.011 ppm2 2.821 >>ASSI { 5571} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 5571 weight 0.1000E+01 volume 89.80090 ppm1 8.014 ppm2 0.994 >>ASSI { 5581} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 5581 weight 0.1000E+01 volume 30.40000 ppm1 8.007 ppm2 0.365 >>ASSI { 5591} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HN )) >> 6 6 0 peak 5591 weight 0.1000E+01 volume 90.77820 ppm1 8.676 ppm2 7.989 >>ASSI { 5601} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 22 and name HN )) >> 6 6 0 peak 5601 weight 0.1000E+01 volume 4.38810 ppm1 8.676 ppm2 7.038 >>ASSI { 5611} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 5611 weight 0.1000E+01 volume 47.98260 ppm1 8.674 ppm2 3.935 >>ASSI { 5621} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 5621 weight 0.1000E+01 volume 4.07160 ppm1 7.655 ppm2 5.228 >>ASSI { 5631} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 5631 weight 0.1000E+01 volume 109.01870 ppm1 7.661 ppm2 1.050 >>ASSI { 5641} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 9 and name HN )) >> 6 6 0 peak 5641 weight 0.1000E+01 volume 55.69360 ppm1 8.027 ppm2 8.936 >>ASSI { 5651} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 84 and name HN )) >> 6 6 0 peak 5651 weight 0.1000E+01 volume 130.69890 ppm1 8.073 ppm2 7.327 >>ASSI { 5661} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 8 and name HA )) >> 6 6 0 peak 5661 weight 0.1000E+01 volume 905.36780 ppm1 8.026 ppm2 4.240 >>ASSI { 5671} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 5671 weight 0.1000E+01 volume 27.52890 ppm1 8.079 ppm2 3.315 >>ASSI { 5681} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 5681 weight 0.1000E+01 volume 90.37160 ppm1 8.075 ppm2 3.109 >>ASSI { 5691} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 80 and name HB1 )) >> 6 6 0 peak 5691 weight 0.1000E+01 volume 36.63540 ppm1 8.075 ppm2 2.775 >>ASSI { 5701} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 7 and name HE1 )) >> 6 6 0 peak 5701 weight 0.1000E+01 volume 41.29500 ppm1 8.024 ppm2 2.680 >>ASSI { 5711} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 5711 weight 0.1000E+01 volume 38.63500 ppm1 8.074 ppm2 2.494 >>ASSI { 5721} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 113 and name HN )) >> 6 6 0 peak 5721 weight 0.1000E+01 volume 110.23900 ppm1 6.979 ppm2 8.835 >>ASSI { 5731} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 117 and name HN )) >> 6 6 0 peak 5731 weight 0.1000E+01 volume 10.41970 ppm1 6.978 ppm2 8.438 >>ASSI { 5741} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 116 and name HN )) >> 6 6 0 peak 5741 weight 0.1000E+01 volume 34.46890 ppm1 6.977 ppm2 6.539 >>ASSI { 5751} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 115 and name HD1 )) >> 6 6 0 peak 5751 weight 0.1000E+01 volume 50.12840 ppm1 6.977 ppm2 3.783 >>ASSI { 5761} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 5761 weight 0.1000E+01 volume 225.43260 ppm1 6.976 ppm2 2.701 >>ASSI { 5771} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 5771 weight 0.1000E+01 volume 35.82840 ppm1 6.976 ppm2 1.871 >>ASSI { 5791} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 5791 weight 0.1000E+01 volume 90.24050 ppm1 8.618 ppm2 4.860 >>ASSI { 5801} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 5801 weight 0.1000E+01 volume 72.23720 ppm1 8.615 ppm2 4.013 >>ASSI { 5811} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 5811 weight 0.1000E+01 volume 80.17610 ppm1 8.617 ppm2 3.563 >>ASSI { 5821} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 51 and name HB1 )) >> 6 6 0 peak 5821 weight 0.1000E+01 volume 46.59780 ppm1 8.616 ppm2 2.958 >>ASSI { 5831} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 5831 weight 0.1000E+01 volume 55.17960 ppm1 8.620 ppm2 1.612 >>ASSI { 5841} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 5841 weight 0.1000E+01 volume 15.54660 ppm1 7.799 ppm2 0.910 >>ASSI { 5851} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 95 and name HB )) >> 6 6 0 peak 5851 weight 0.1000E+01 volume 68.26180 ppm1 6.880 ppm2 4.444 >>ASSI { 5861} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 95 and name HA )) >> 6 6 0 peak 5861 weight 0.1000E+01 volume 101.11140 ppm1 6.878 ppm2 4.103 >>ASSI { 5871} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 5871 weight 0.1000E+01 volume 17.40620 ppm1 6.878 ppm2 2.192 >>ASSI { 5881} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 5881 weight 0.1000E+01 volume 27.53940 ppm1 7.999 ppm2 6.816 >>ASSI { 5891} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 5891 weight 0.1000E+01 volume 59.94360 ppm1 7.996 ppm2 4.658 >>ASSI { 5901} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 5901 weight 0.1000E+01 volume 24.60770 ppm1 7.998 ppm2 4.138 >>ASSI { 5911} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 53 and name HB )) >> 6 6 0 peak 5911 weight 0.1000E+01 volume 113.63390 ppm1 7.998 ppm2 1.047 >>ASSI { 5921} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 64 and name HN )) >> 6 6 0 peak 5921 weight 0.1000E+01 volume 84.41220 ppm1 8.474 ppm2 7.805 >>ASSI { 5931} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 66 and name HA )) >> 6 6 0 peak 5931 weight 0.1000E+01 volume 9.61280 ppm1 8.469 ppm2 4.365 >>ASSI { 5941} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 5941 weight 0.1000E+01 volume 57.61320 ppm1 8.471 ppm2 3.934 >>ASSI { 5951} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 5951 weight 0.1000E+01 volume 51.87140 ppm1 8.472 ppm2 3.423 >>ASSI { 5961} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 79 and name HN )) >> 6 6 0 peak 5961 weight 0.1000E+01 volume 63.72450 ppm1 7.166 ppm2 8.431 >>ASSI { 5971} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 81 and name HN )) >> 6 6 0 peak 5971 weight 0.1000E+01 volume 134.55811 ppm1 7.169 ppm2 7.404 >>ASSI { 5981} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 5981 weight 0.1000E+01 volume 16.23900 ppm1 7.171 ppm2 3.879 >>ASSI { 5991} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 5991 weight 0.1000E+01 volume 67.90500 ppm1 7.164 ppm2 3.364 >>ASSI { 6001} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 6001 weight 0.1000E+01 volume 50.50740 ppm1 7.168 ppm2 0.885 >>ASSI { 6011} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 6011 weight 0.1000E+01 volume 86.65940 ppm1 7.412 ppm2 4.572 >>ASSI { 6021} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 120 and name HA )) >> 6 6 0 peak 6021 weight 0.1000E+01 volume 421.99380 ppm1 7.595 ppm2 4.449 >>ASSI { 6031} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 85 and name HA )) >> 6 6 0 peak 6031 weight 0.1000E+01 volume 172.99570 ppm1 7.312 ppm2 4.233 >>ASSI { 6041} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 102 and name HN )) >> 6 6 0 peak 6041 weight 0.1000E+01 volume 118.58380 ppm1 9.169 ppm2 8.542 >>ASSI { 6051} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 100 and name HN )) >> 6 6 0 peak 6051 weight 0.1000E+01 volume 102.83450 ppm1 9.168 ppm2 7.766 >>ASSI { 6061} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 101 and name HE1 )) >> 6 6 0 peak 6061 weight 0.1000E+01 volume 55.30180 ppm1 9.168 ppm2 7.276 >>ASSI { 6071} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 6071 weight 0.1000E+01 volume 36.14610 ppm1 9.173 ppm2 4.483 >>ASSI { 6081} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 6081 weight 0.1000E+01 volume 31.77120 ppm1 9.169 ppm2 4.333 >>ASSI { 6091} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 6091 weight 0.1000E+01 volume 110.78820 ppm1 9.171 ppm2 3.939 >>ASSI { 6101} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 98 and name HA )) >> 6 6 0 peak 6101 weight 0.1000E+01 volume 28.03120 ppm1 9.170 ppm2 3.223 >>ASSI { 6111} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 6111 weight 0.1000E+01 volume 55.93850 ppm1 9.169 ppm2 0.613 >>ASSI { 6121} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 57 and name HG1 )) >> 6 6 0 peak 6121 weight 0.1000E+01 volume 23.96420 ppm1 7.262 ppm2 3.010 >>ASSI { 6131} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 6131 weight 0.1000E+01 volume 77.95140 ppm1 7.265 ppm2 2.285 >>ASSI { 6141} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 6141 weight 0.1000E+01 volume 225.85970 ppm1 8.903 ppm2 2.260 >>ASSI { 6151} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 6151 weight 0.1000E+01 volume 12.02090 ppm1 8.905 ppm2 1.447 >>ASSI { 6161} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 6161 weight 0.1000E+01 volume 70.52420 ppm1 7.964 ppm2 6.058 >>ASSI { 6171} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 6171 weight 0.1000E+01 volume 34.53170 ppm1 7.963 ppm2 4.477 >>ASSI { 6181} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 6181 weight 0.1000E+01 volume 47.00550 ppm1 7.962 ppm2 3.631 >>ASSI { 6191} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 6191 weight 0.1000E+01 volume 24.71800 ppm1 7.961 ppm2 3.048 >>ASSI { 6201} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 6201 weight 0.1000E+01 volume 29.54400 ppm1 7.963 ppm2 0.548 >>ASSI { 6211} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 6211 weight 0.1000E+01 volume 7.87570 ppm1 7.963 ppm2 0.370 >>ASSI { 6221} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 67 and name HN )) >> 6 6 0 peak 6221 weight 0.1000E+01 volume 120.73750 ppm1 8.567 ppm2 9.132 >>ASSI { 6231} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 105 and name HN )) >> 6 6 0 peak 6231 weight 0.1000E+01 volume 8.21730 ppm1 8.541 ppm2 8.013 >>ASSI { 6241} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 68 and name HN )) >> 6 6 0 peak 6241 weight 0.1000E+01 volume 14.77610 ppm1 8.567 ppm2 7.784 >>ASSI { 6251} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 6251 weight 0.1000E+01 volume 88.45700 ppm1 8.545 ppm2 7.015 >>ASSI { 6261} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 6261 weight 0.1000E+01 volume 76.30130 ppm1 8.571 ppm2 6.814 >>ASSI { 6271} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 66 and name HB1 )) >> 6 6 0 peak 6271 weight 0.1000E+01 volume 462.51389 ppm1 8.569 ppm2 1.948 >>ASSI { 6281} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 6281 weight 0.1000E+01 volume 82.09720 ppm1 8.570 ppm2 1.125 >>ASSI { 6291} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 65 and name HB2 )) >> 6 6 0 peak 6291 weight 0.1000E+01 volume 19.73500 ppm1 8.570 ppm2 0.576 >>ASSI { 6301} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 6301 weight 0.1000E+01 volume 109.20610 ppm1 7.795 ppm2 7.494 >>ASSI { 6311} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 6311 weight 0.1000E+01 volume 16.48340 ppm1 7.791 ppm2 3.411 >>ASSI { 6321} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 6321 weight 0.1000E+01 volume 40.02990 ppm1 7.795 ppm2 1.616 >>ASSI { 6331} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 78 and name HN )) >> 6 6 0 peak 6331 weight 0.1000E+01 volume 50.03830 ppm1 6.286 ppm2 7.347 >>ASSI { 6341} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 6341 weight 0.1000E+01 volume 58.02270 ppm1 6.291 ppm2 6.934 >>ASSI { 6351} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 6351 weight 0.1000E+01 volume 55.12380 ppm1 6.291 ppm2 1.154 >>ASSI { 6361} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 68 and name HN )) >> 6 6 0 peak 6361 weight 0.1000E+01 volume 95.86690 ppm1 9.132 ppm2 7.761 >>ASSI { 6371} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 6371 weight 0.1000E+01 volume 11.72300 ppm1 9.132 ppm2 3.705 >>ASSI { 6381} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 64 and name HB2 )) >> 6 6 0 peak 6381 weight 0.1000E+01 volume 38.10970 ppm1 9.132 ppm2 1.503 >>ASSI { 6391} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 6391 weight 0.1000E+01 volume 23.06090 ppm1 7.208 ppm2 4.663 >>ASSI { 6401} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 11 and name HD1 )) >> 6 6 0 peak 6401 weight 0.1000E+01 volume 13.81040 ppm1 7.204 ppm2 3.964 >>ASSI { 6411} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 6411 weight 0.1000E+01 volume 92.74130 ppm1 7.203 ppm2 1.373 >>ASSI { 6421} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 6421 weight 0.1000E+01 volume 21.00470 ppm1 7.205 ppm2 0.285 >>ASSI { 6431} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 92 and name HN )) >> 6 6 0 peak 6431 weight 0.1000E+01 volume 62.16390 ppm1 8.663 ppm2 7.632 >>ASSI { 6441} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 6441 weight 0.1000E+01 volume 20.76670 ppm1 8.776 ppm2 6.642 >>ASSI { 6451} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 59 and name HA )) >> 6 6 0 peak 6451 weight 0.1000E+01 volume 53.81980 ppm1 8.820 ppm2 3.825 >>ASSI { 6461} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 6461 weight 0.1000E+01 volume 84.55340 ppm1 8.664 ppm2 3.353 >>ASSI { 6471} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 6471 weight 0.1000E+01 volume 34.85830 ppm1 8.821 ppm2 2.620 >>ASSI { 6481} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 23 and name HG1 )) >> 6 6 0 peak 6481 weight 0.1000E+01 volume 144.15559 ppm1 8.766 ppm2 2.300 >>ASSI { 6491} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 6491 weight 0.1000E+01 volume 179.20010 ppm1 8.662 ppm2 1.723 >>ASSI { 6501} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 6501 weight 0.1000E+01 volume 11.00980 ppm1 8.662 ppm2 1.509 >>ASSI { 6511} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 6511 weight 0.1000E+01 volume 12.90280 ppm1 8.820 ppm2 0.182 >>ASSI { 6531} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 6531 weight 0.1000E+01 volume 16.25920 ppm1 7.858 ppm2 4.659 >>ASSI { 6541} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 6541 weight 0.1000E+01 volume 38.59100 ppm1 7.859 ppm2 2.878 >>ASSI { 6551} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 86 and name HN )) >> 6 6 0 peak 6551 weight 0.1000E+01 volume 115.67070 ppm1 8.923 ppm2 9.605 >>ASSI { 6561} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 108 and name HN )) >> 6 6 0 peak 6561 weight 0.1000E+01 volume 72.81450 ppm1 9.079 ppm2 7.796 >>ASSI { 6571} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 90 and name HN )) >> 6 6 0 peak 6571 weight 0.1000E+01 volume 19.52500 ppm1 8.920 ppm2 7.633 >>ASSI { 6581} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 6581 weight 0.1000E+01 volume 8.14700 ppm1 9.075 ppm2 7.490 >>ASSI { 6591} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 6591 weight 0.1000E+01 volume 99.66490 ppm1 9.075 ppm2 4.031 >>ASSI { 6601} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 6601 weight 0.1000E+01 volume 34.20840 ppm1 8.923 ppm2 4.250 >>ASSI { 6611} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 6611 weight 0.1000E+01 volume 50.54170 ppm1 8.925 ppm2 1.731 >>ASSI { 6621} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 6621 weight 0.1000E+01 volume 35.49800 ppm1 8.923 ppm2 0.583 >>ASSI { 6631} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HN )) >> 6 6 0 peak 6631 weight 0.1000E+01 volume 169.26740 ppm1 8.772 ppm2 7.530 >>ASSI { 6641} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 60 and name HA )) >> 6 6 0 peak 6641 weight 0.1000E+01 volume 45.12500 ppm1 8.773 ppm2 4.251 >>ASSI { 6651} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 60 and name HB1 )) >> 6 6 0 peak 6651 weight 0.1000E+01 volume 10.75230 ppm1 8.806 ppm2 4.382 >>ASSI { 6661} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 6661 weight 0.1000E+01 volume 26.02670 ppm1 8.778 ppm2 0.562 >>ASSI { 6671} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 6671 weight 0.1000E+01 volume 65.87250 ppm1 8.777 ppm2 0.193 >>ASSI { 6681} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 79 and name HN )) >> 6 6 0 peak 6681 weight 0.1000E+01 volume 52.22250 ppm1 7.331 ppm2 8.449 >>ASSI { 6691} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 77 and name HN )) >> 6 6 0 peak 6691 weight 0.1000E+01 volume 57.00630 ppm1 7.333 ppm2 6.293 >>ASSI { 6701} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 6701 weight 0.1000E+01 volume 62.97140 ppm1 7.328 ppm2 4.225 >>ASSI { 6711} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 6711 weight 0.1000E+01 volume 43.74020 ppm1 7.332 ppm2 3.085 >>ASSI { 6721} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 6721 weight 0.1000E+01 volume 89.36330 ppm1 7.329 ppm2 2.672 >>ASSI { 6731} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 77 and name HB2 )) >> 6 6 0 peak 6731 weight 0.1000E+01 volume 60.09650 ppm1 7.331 ppm2 1.790 >>ASSI { 6741} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 6741 weight 0.1000E+01 volume 44.94850 ppm1 7.179 ppm2 0.576 >>ASSI { 6751} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 91 and name HN )) >> 6 6 0 peak 6751 weight 0.1000E+01 volume 235.81931 ppm1 8.117 ppm2 8.325 >>ASSI { 6761} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 6761 weight 0.1000E+01 volume 22.28260 ppm1 8.006 ppm2 6.060 >>ASSI { 6771} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 6771 weight 0.1000E+01 volume 75.03510 ppm1 8.114 ppm2 4.006 >>ASSI { 6781} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 6781 weight 0.1000E+01 volume 175.00160 ppm1 8.119 ppm2 1.859 >>ASSI { 6791} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 6791 weight 0.1000E+01 volume 74.11880 ppm1 8.016 ppm2 0.546 >>ASSI { 6801} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 6801 weight 0.1000E+01 volume 43.70210 ppm1 8.015 ppm2 0.359 >>ASSI { 6811} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 6811 weight 0.1000E+01 volume 163.20621 ppm1 7.483 ppm2 6.074 >>ASSI { 6821} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 20 and name HA )) >> 6 6 0 peak 6821 weight 0.1000E+01 volume 39.72190 ppm1 7.579 ppm2 4.444 >>ASSI { 6831} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 6831 weight 0.1000E+01 volume 44.77540 ppm1 7.483 ppm2 3.676 >>ASSI { 6841} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 107 and name HB1 )) >> 6 6 0 peak 6841 weight 0.1000E+01 volume 953.10303 ppm1 7.486 ppm2 2.234 >>ASSI { 6851} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 84 and name HG2 )) >> 6 6 0 peak 6851 weight 0.1000E+01 volume 81.28530 ppm1 7.486 ppm2 1.878 >>ASSI { 6861} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 6861 weight 0.1000E+01 volume 162.66341 ppm1 7.482 ppm2 1.493 >>ASSI { 6871} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 6871 weight 0.1000E+01 volume 257.71201 ppm1 7.481 ppm2 1.216 >>ASSI { 6881} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 6881 weight 0.1000E+01 volume 257.85529 ppm1 7.488 ppm2 0.916 >>ASSI { 6891} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 87 and name HN )) >> 6 6 0 peak 6891 weight 0.1000E+01 volume 62.29970 ppm1 9.600 ppm2 8.938 >>ASSI { 6901} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 84 and name HN )) >> 6 6 0 peak 6901 weight 0.1000E+01 volume 90.14470 ppm1 9.601 ppm2 7.283 >>ASSI { 6911} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 6911 weight 0.1000E+01 volume 75.11700 ppm1 9.603 ppm2 6.071 >>ASSI { 6921} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 86 and name HA )) >> 6 6 0 peak 6921 weight 0.1000E+01 volume 71.53940 ppm1 9.602 ppm2 4.851 >>ASSI { 6931} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 85 and name HA )) >> 6 6 0 peak 6931 weight 0.1000E+01 volume 49.44650 ppm1 9.602 ppm2 4.235 >>ASSI { 6941} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 85 and name HB1 )) >> 6 6 0 peak 6941 weight 0.1000E+01 volume 110.00230 ppm1 9.603 ppm2 2.510 >>ASSI { 6951} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 85 and name HB2 )) >> 6 6 0 peak 6951 weight 0.1000E+01 volume 93.21700 ppm1 9.603 ppm2 1.493 >>ASSI { 6961} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 6961 weight 0.1000E+01 volume 53.51910 ppm1 9.608 ppm2 1.145 >>ASSI { 6971} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 17 and name HN )) >> 6 6 0 peak 6971 weight 0.1000E+01 volume 38.13450 ppm1 8.144 ppm2 7.438 >>ASSI { 6981} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 13 and name HN )) >> 6 6 0 peak 6981 weight 0.1000E+01 volume 40.79670 ppm1 8.145 ppm2 7.208 >>ASSI { 6991} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 6991 weight 0.1000E+01 volume 51.25470 ppm1 8.144 ppm2 3.313 >>ASSI { 7001} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 9 and name HB1 )) >> 6 6 0 peak 7001 weight 0.1000E+01 volume 17.24650 ppm1 8.143 ppm2 2.850 >>ASSI { 7011} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 7011 weight 0.1000E+01 volume 40.39130 ppm1 8.146 ppm2 2.387 >>ASSI { 7021} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 7021 weight 0.1000E+01 volume 34.78530 ppm1 8.147 ppm2 0.272 >>ASSI { 7031} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 94 and name HN )) >> 6 6 0 peak 7031 weight 0.1000E+01 volume 37.51160 ppm1 7.864 ppm2 8.821 >>ASSI { 7041} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 99 and name HN )) >> 6 6 0 peak 7041 weight 0.1000E+01 volume 33.66490 ppm1 7.861 ppm2 7.291 >>ASSI { 7061} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 95 and name HA )) >> 6 6 0 peak 7061 weight 0.1000E+01 volume 67.07470 ppm1 7.862 ppm2 4.092 >>ASSI { 7071} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 7071 weight 0.1000E+01 volume 272.35751 ppm1 7.753 ppm2 2.040 >>ASSI { 7081} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 95 and name HG2# )) >> 6 6 0 peak 7081 weight 0.1000E+01 volume 47.67060 ppm1 7.863 ppm2 1.125 >>ASSI { 7091} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 93 and name HD1 )) >> 6 6 0 peak 7091 weight 0.1000E+01 volume 71.51390 ppm1 8.799 ppm2 3.174 >>ASSI { 7101} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 116 and name HN )) >> 6 6 0 peak 7101 weight 0.1000E+01 volume 131.56100 ppm1 8.460 ppm2 6.567 >>ASSI { 7111} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 7111 weight 0.1000E+01 volume 283.73569 ppm1 8.428 ppm2 4.657 >>ASSI { 7121} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 7121 weight 0.1000E+01 volume 183.63130 ppm1 8.459 ppm2 4.574 >>ASSI { 7131} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 7131 weight 0.1000E+01 volume 291.67789 ppm1 8.458 ppm2 4.115 >>ASSI { 7141} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 117 and name HG2 )) >> 6 6 0 peak 7141 weight 0.1000E+01 volume 357.85559 ppm1 8.456 ppm2 2.520 >>ASSI { 7151} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 7151 weight 0.1000E+01 volume 171.28799 ppm1 8.461 ppm2 1.043 >>ASSI { 7161} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 7161 weight 0.1000E+01 volume 59.13050 ppm1 8.426 ppm2 1.004 >>ASSI { 7171} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 15 and name HN )) >> 6 6 0 peak 7171 weight 0.1000E+01 volume 8.85540 ppm1 9.738 ppm2 8.118 >>ASSI { 7181} >> (( segid "PROT" and resid 12 and name HN )) >> (( segid "PROT" and resid 14 and name HN )) >> 6 6 0 peak 7181 weight 0.1000E+01 volume 23.27520 ppm1 9.749 ppm2 7.857 >>ASSI { 7191} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 116 and name HN )) >> 6 6 0 peak 7191 weight 0.1000E+01 volume 50.59730 ppm1 8.030 ppm2 6.567 >>ASSI { 7201} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 7201 weight 0.1000E+01 volume 42.79930 ppm1 8.029 ppm2 4.564 >>ASSI { 7211} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 63 and name HN )) >> 6 6 0 peak 7211 weight 0.1000E+01 volume 65.52360 ppm1 7.812 ppm2 8.783 >>ASSI { 7221} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 65 and name HN )) >> 6 6 0 peak 7221 weight 0.1000E+01 volume 178.52660 ppm1 7.809 ppm2 8.487 >>ASSI { 7231} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 50 and name HN )) >> 6 6 0 peak 7231 weight 0.1000E+01 volume 123.67070 ppm1 7.638 ppm2 8.513 >>ASSI { 7241} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 50 and name HA )) >> 6 6 0 peak 7241 weight 0.1000E+01 volume 38.58770 ppm1 7.638 ppm2 4.867 >>ASSI { 7251} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 7251 weight 0.1000E+01 volume 188.98030 ppm1 7.636 ppm2 4.469 >>ASSI { 7261} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HA )) >> 6 6 0 peak 7261 weight 0.1000E+01 volume 25.21670 ppm1 7.640 ppm2 4.015 >>ASSI { 7271} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 7271 weight 0.1000E+01 volume 47.04090 ppm1 7.812 ppm2 3.712 >>ASSI { 7281} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 50 and name HB1 )) >> 6 6 0 peak 7281 weight 0.1000E+01 volume 73.50530 ppm1 7.633 ppm2 3.456 >>ASSI { 7291} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 64 and name HD1 )) >> 6 6 0 peak 7291 weight 0.1000E+01 volume 36.00420 ppm1 7.812 ppm2 3.215 >>ASSI { 7301} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HB )) >> 6 6 0 peak 7301 weight 0.1000E+01 volume 72.75510 ppm1 7.638 ppm2 1.872 >>ASSI { 7311} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 7311 weight 0.1000E+01 volume 79.65750 ppm1 7.638 ppm2 1.599 >>ASSI { 7321} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 7321 weight 0.1000E+01 volume 60.47090 ppm1 7.636 ppm2 0.900 >>ASSI { 7331} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 117 and name HN )) >> 6 6 0 peak 7331 weight 0.1000E+01 volume 140.50529 ppm1 6.563 ppm2 8.466 >>ASSI { 7341} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 118 and name HN )) >> 6 6 0 peak 7341 weight 0.1000E+01 volume 26.89770 ppm1 6.556 ppm2 8.021 >>ASSI { 7351} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 114 and name HN )) >> 6 6 0 peak 7351 weight 0.1000E+01 volume 11.19900 ppm1 6.561 ppm2 7.002 >>ASSI { 7361} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 115 and name HD2 )) >> 6 6 0 peak 7361 weight 0.1000E+01 volume 45.84600 ppm1 6.560 ppm2 3.533 >>ASSI { 7371} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 118 and name HG1 )) >> 6 6 0 peak 7371 weight 0.1000E+01 volume 72.02120 ppm1 6.562 ppm2 2.516 >>ASSI { 7391} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 112 and name HN )) >> 6 6 0 peak 7391 weight 0.1000E+01 volume 87.48890 ppm1 8.833 ppm2 7.941 >>ASSI { 7401} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 114 and name HN )) >> 6 6 0 peak 7401 weight 0.1000E+01 volume 209.97400 ppm1 8.830 ppm2 6.986 >>ASSI { 7411} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 7411 weight 0.1000E+01 volume 13.84290 ppm1 8.832 ppm2 4.584 >>ASSI { 7421} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 7421 weight 0.1000E+01 volume 70.05210 ppm1 8.113 ppm2 2.007 >>ASSI { 7431} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 7431 weight 0.1000E+01 volume 70.63490 ppm1 8.114 ppm2 0.341 >>ASSI { 7441} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 35 and name HN )) >> 6 6 0 peak 7441 weight 0.1000E+01 volume 104.92250 ppm1 7.168 ppm2 8.031 >>ASSI { 7451} >> (( segid "PROT" and resid 36 and name HH12 )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 7451 weight 0.1000E+01 volume 62.26150 ppm1 7.166 ppm2 1.340 >>ASSI { 7461} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 29 and name HN )) >> 6 6 0 peak 7461 weight 0.1000E+01 volume 78.55600 ppm1 7.294 ppm2 8.263 >>ASSI { 7471} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 7471 weight 0.1000E+01 volume 67.48870 ppm1 7.294 ppm2 4.749 >>ASSI { 7481} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 105 and name HD2# )) >> 6 6 0 peak 7481 weight 0.1000E+01 volume 89.43740 ppm1 7.291 ppm2 0.555 >>ASSI { 7491} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 7491 weight 0.1000E+01 volume 9.93920 ppm1 7.293 ppm2 0.360 >>ASSI { 7501} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 7501 weight 0.1000E+01 volume 29.37540 ppm1 8.434 ppm2 7.949 >>ASSI { 7511} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 7511 weight 0.1000E+01 volume 96.10890 ppm1 8.433 ppm2 4.230 >>ASSI { 7521} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 7521 weight 0.1000E+01 volume 20.37830 ppm1 8.437 ppm2 3.074 >>ASSI { 7531} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 76 and name HG1 )) >> 6 6 0 peak 7531 weight 0.1000E+01 volume 30.12120 ppm1 8.432 ppm2 1.831 >>ASSI { 7541} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 7541 weight 0.1000E+01 volume 79.08200 ppm1 8.433 ppm2 1.306 >>ASSI { 7551} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 81 and name HB )) >> 6 6 0 peak 7551 weight 0.1000E+01 volume 11.57900 ppm1 8.428 ppm2 0.880 >>ASSI { 7561} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 7561 weight 0.1000E+01 volume 98.86560 ppm1 8.433 ppm2 1.144 >>ASSI { 7571} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 7571 weight 0.1000E+01 volume 146.65669 ppm1 7.893 ppm2 6.998 >>ASSI { 7581} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 7581 weight 0.1000E+01 volume 7.79980 ppm1 7.900 ppm2 4.271 >>ASSI { 7591} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HA )) >> 6 6 0 peak 7591 weight 0.1000E+01 volume 167.81410 ppm1 7.895 ppm2 4.036 >>ASSI { 7601} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 7601 weight 0.1000E+01 volume 168.45889 ppm1 7.893 ppm2 3.718 >>ASSI { 7611} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 114 and name HN )) >> 6 6 0 peak 7611 weight 0.1000E+01 volume 27.29740 ppm1 7.931 ppm2 6.993 >>ASSI { 7621} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 7621 weight 0.1000E+01 volume 20.31680 ppm1 7.936 ppm2 3.650 >>ASSI { 7631} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 7631 weight 0.1000E+01 volume 34.26860 ppm1 7.929 ppm2 0.724 >>ASSI { 7641} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 109 and name HN )) >> 6 6 0 peak 7641 weight 0.1000E+01 volume 90.25450 ppm1 8.555 ppm2 9.087 >>ASSI { 7651} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 111 and name HN )) >> 6 6 0 peak 7651 weight 0.1000E+01 volume 209.31770 ppm1 8.557 ppm2 7.329 >>ASSI { 7661} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 7661 weight 0.1000E+01 volume 176.88921 ppm1 8.553 ppm2 7.022 >>ASSI { 7671} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 7671 weight 0.1000E+01 volume 48.04480 ppm1 8.555 ppm2 6.065 >>ASSI { 7681} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 7681 weight 0.1000E+01 volume 62.79980 ppm1 8.556 ppm2 0.720 >>ASSI { 7691} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 7691 weight 0.1000E+01 volume 94.83950 ppm1 7.787 ppm2 3.668 >>ASSI { 7701} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 7701 weight 0.1000E+01 volume 49.50720 ppm1 8.240 ppm2 2.283 >>ASSI { 7711} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 7711 weight 0.1000E+01 volume 8.66120 ppm1 8.237 ppm2 0.189 >>ASSI { 7721} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 79 and name HN )) >> 6 6 0 peak 7721 weight 0.1000E+01 volume 14.48260 ppm1 7.941 ppm2 8.435 >>ASSI { 7731} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 79 and name HA )) >> 6 6 0 peak 7731 weight 0.1000E+01 volume 92.61250 ppm1 7.948 ppm2 4.579 >>ASSI { 7741} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 7741 weight 0.1000E+01 volume 62.78240 ppm1 7.950 ppm2 4.016 >>ASSI { 7751} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 7751 weight 0.1000E+01 volume 50.47910 ppm1 7.913 ppm2 3.627 >>ASSI { 7761} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 7761 weight 0.1000E+01 volume 15.96730 ppm1 7.941 ppm2 2.490 >>ASSI { 7771} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 7771 weight 0.1000E+01 volume 71.19320 ppm1 7.943 ppm2 1.297 >>ASSI { 7781} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 7781 weight 0.1000E+01 volume 116.80990 ppm1 7.327 ppm2 3.658 >>ASSI { 7791} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 7791 weight 0.1000E+01 volume 25.43650 ppm1 7.327 ppm2 2.847 >>ASSI { 7801} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 7801 weight 0.1000E+01 volume 111.62070 ppm1 7.325 ppm2 0.901 >>ASSI { 7811} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 113 and name HG2# )) >> 6 6 0 peak 7811 weight 0.1000E+01 volume 43.26970 ppm1 7.329 ppm2 0.720 >>ASSI { 7821} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 7821 weight 0.1000E+01 volume 65.00650 ppm1 7.755 ppm2 5.038 >>ASSI { 7831} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 41 and name HG1 )) >> 6 6 0 peak 7831 weight 0.1000E+01 volume 169.80321 ppm1 7.758 ppm2 1.524 >>ASSI { 7841} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 39 and name HG2# )) >> 6 6 0 peak 7841 weight 0.1000E+01 volume 4.24110 ppm1 7.745 ppm2 -0.598 >>ASSI { 7851} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 97 and name HN )) >> 6 6 0 peak 7851 weight 0.1000E+01 volume 33.39020 ppm1 8.037 ppm2 8.822 >>ASSI { 7861} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 99 and name HN )) >> 6 6 0 peak 7861 weight 0.1000E+01 volume 45.08270 ppm1 8.039 ppm2 7.311 >>ASSI { 7871} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 96 and name HA )) >> 6 6 0 peak 7871 weight 0.1000E+01 volume 62.30400 ppm1 8.038 ppm2 4.380 >>ASSI { 7881} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 7881 weight 0.1000E+01 volume 51.52390 ppm1 8.037 ppm2 1.317 >>ASSI { 7891} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 36 and name HN )) >> 6 6 0 peak 7891 weight 0.1000E+01 volume 94.90240 ppm1 8.026 ppm2 7.160 >>ASSI { 7901} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 7901 weight 0.1000E+01 volume 46.25470 ppm1 8.025 ppm2 4.370 >>ASSI { 7911} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 7911 weight 0.1000E+01 volume 39.07830 ppm1 8.027 ppm2 3.931 >>ASSI { 7921} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 7921 weight 0.1000E+01 volume 61.50850 ppm1 8.026 ppm2 1.891 >>ASSI { 7931} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 68 and name HN )) >> 6 6 0 peak 7931 weight 0.1000E+01 volume 20.07870 ppm1 8.371 ppm2 7.780 >>ASSI { 7941} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 68 and name HB )) >> 6 6 0 peak 7941 weight 0.1000E+01 volume 33.75500 ppm1 8.380 ppm2 4.540 >>ASSI { 7951} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 7951 weight 0.1000E+01 volume 50.12370 ppm1 8.378 ppm2 3.425 >>ASSI { 7961} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 7961 weight 0.1000E+01 volume 82.33060 ppm1 7.269 ppm2 0.882 >>ASSI { 7971} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 91 and name HN )) >> 6 6 0 peak 7971 weight 0.1000E+01 volume 161.77190 ppm1 7.633 ppm2 8.337 >>ASSI { 7981} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 7981 weight 0.1000E+01 volume 68.06440 ppm1 7.628 ppm2 6.973 >>ASSI { 7991} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 7991 weight 0.1000E+01 volume 39.42530 ppm1 7.634 ppm2 4.000 >>ASSI { 8001} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 55 and name HD21 )) >> 6 6 0 peak 8001 weight 0.1000E+01 volume 1268.14758 ppm1 7.614 ppm2 6.901 >>ASSI { 8011} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 8011 weight 0.1000E+01 volume 417.87671 ppm1 7.615 ppm2 3.697 >>ASSI { 8021} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 8021 weight 0.1000E+01 volume 9.41450 ppm1 7.637 ppm2 3.423 >>ASSI { 8041} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 8041 weight 0.1000E+01 volume 14.47960 ppm1 7.612 ppm2 0.628 >>ASSI { 8051} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HN )) >> 6 6 0 peak 8051 weight 0.1000E+01 volume 74.71980 ppm1 8.509 ppm2 7.996 >>ASSI { 8061} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 8061 weight 0.1000E+01 volume 83.87410 ppm1 8.510 ppm2 2.310 >>ASSI { 8071} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 8071 weight 0.1000E+01 volume 62.67060 ppm1 8.510 ppm2 2.058 >>ASSI { 8081} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 8081 weight 0.1000E+01 volume 16.02610 ppm1 7.833 ppm2 6.995 >>ASSI { 8091} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 8091 weight 0.1000E+01 volume 147.83900 ppm1 7.831 ppm2 3.722 >>ASSI { 8101} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 27 and name HD1 )) >> 6 6 0 peak 8101 weight 0.1000E+01 volume 16.15680 ppm1 7.831 ppm2 3.185 >>ASSI { 8111} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 68 and name HB )) >> 6 6 0 peak 8111 weight 0.1000E+01 volume 81.50770 ppm1 7.303 ppm2 4.535 >>ASSI { 8121} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 8121 weight 0.1000E+01 volume 29.41170 ppm1 7.307 ppm2 1.227 >>ASSI { 8131} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 89 and name HE1 )) >> 6 6 0 peak 8131 weight 0.1000E+01 volume 68.23350 ppm1 8.456 ppm2 8.859 >>ASSI { 8141} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 104 and name HN )) >> 6 6 0 peak 8141 weight 0.1000E+01 volume 97.39250 ppm1 8.457 ppm2 7.790 >>ASSI { 8151} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 102 and name HB2 )) >> 6 6 0 peak 8151 weight 0.1000E+01 volume 82.31140 ppm1 8.457 ppm2 2.725 >>ASSI { 8161} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 8161 weight 0.1000E+01 volume 51.83830 ppm1 8.450 ppm2 1.604 >>ASSI { 8171} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 8171 weight 0.1000E+01 volume 31.02550 ppm1 8.457 ppm2 0.919 >>ASSI { 8181} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 8181 weight 0.1000E+01 volume 244.32010 ppm1 7.606 ppm2 0.652 >>ASSI { 8191} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 8191 weight 0.1000E+01 volume 17.86590 ppm1 8.262 ppm2 5.033 >>ASSI { 8201} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 8201 weight 0.1000E+01 volume 90.49280 ppm1 8.260 ppm2 4.739 >>ASSI { 8211} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 8211 weight 0.1000E+01 volume 116.96440 ppm1 8.260 ppm2 2.105 >>ASSI { 8221} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 8221 weight 0.1000E+01 volume 25.02860 ppm1 8.259 ppm2 1.684 >>ASSI { 8231} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 55 and name HD22 )) >> 6 6 0 peak 8231 weight 0.1000E+01 volume 1452.18958 ppm1 6.901 ppm2 7.614 >>ASSI { 8241} >> (( segid "PROT" and resid 86 and name HD21 )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 8241 weight 0.1000E+01 volume 46.02040 ppm1 7.794 ppm2 3.145 >>ASSI { 8251} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 37 and name HE22 )) >> 6 6 0 peak 8251 weight 0.1000E+01 volume 887.00787 ppm1 7.424 ppm2 6.837 >>ASSI { 8261} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 34 and name HA )) >> 6 6 0 peak 8261 weight 0.1000E+01 volume 41.15810 ppm1 7.428 ppm2 4.370 >>ASSI { 8281} >> (( segid "PROT" and resid 86 and name HD22 )) >> (( segid "PROT" and resid 86 and name HB1 )) >> 6 6 0 peak 8281 weight 0.1000E+01 volume 38.04380 ppm1 7.206 ppm2 3.132 >>ASSI { 8291} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 8291 weight 0.1000E+01 volume 20.13350 ppm1 7.984 ppm2 3.924 >>ASSI { 8301} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 8301 weight 0.1000E+01 volume 112.11020 ppm1 7.990 ppm2 1.568 >>ASSI { 8311} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 19 and name HB1 )) >> 6 6 0 peak 8311 weight 0.1000E+01 volume 61.29310 ppm1 7.990 ppm2 2.199 >>ASSI { 8331} >> (( segid "PROT" and resid 75 and name HE1 )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 8331 weight 0.1000E+01 volume 16.69390 ppm1 10.289 ppm2 3.632 >>ASSI { 8351} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 71 and name HN )) >> 6 6 0 peak 8351 weight 0.1000E+01 volume 24.64280 ppm1 7.431 ppm2 8.119 >>ASSI { 8361} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 8361 weight 0.1000E+01 volume 66.87570 ppm1 8.029 ppm2 1.604 >>ASSI { 8371} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 8 and name HD1# )) >> 6 6 0 peak 8371 weight 0.1000E+01 volume 51.73130 ppm1 8.026 ppm2 0.862 >>ASSI { 8381} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HG2# )) >> 6 6 0 peak 8381 weight 0.1000E+01 volume 136.63120 ppm1 7.526 ppm2 1.156 >>ASSI { 8391} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 8391 weight 0.1000E+01 volume 53.25360 ppm1 7.522 ppm2 0.349 >>ASSI { 8401} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 8401 weight 0.1000E+01 volume 61.96860 ppm1 7.529 ppm2 0.894 >>ASSI { 8411} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HB )) >> 6 6 0 peak 8411 weight 0.1000E+01 volume 224.62640 ppm1 7.522 ppm2 1.705 >>ASSI { 8421} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HG11 )) >> 6 6 0 peak 8421 weight 0.1000E+01 volume 50.76120 ppm1 7.522 ppm2 1.922 >>ASSI { 8431} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 8431 weight 0.1000E+01 volume 117.11880 ppm1 7.524 ppm2 3.918 >>ASSI { 8441} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 61 and name HN )) >> 6 6 0 peak 8441 weight 0.1000E+01 volume 70.55510 ppm1 7.520 ppm2 7.281 >>ASSI { 8451} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 8451 weight 0.1000E+01 volume 155.01900 ppm1 8.618 ppm2 0.567 >>ASSI { 8461} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 108 and name HG2# )) >> 6 6 0 peak 8461 weight 0.1000E+01 volume 353.20279 ppm1 7.792 ppm2 0.907 >>ASSI { 8471} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 8471 weight 0.1000E+01 volume 209.25630 ppm1 7.860 ppm2 1.373 >>ASSI { 8481} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 8481 weight 0.1000E+01 volume 55.86860 ppm1 7.857 ppm2 0.274 >>ASSI { 8491} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 61 and name HB )) >> 6 6 0 peak 8491 weight 0.1000E+01 volume 32.29340 ppm1 7.521 ppm2 4.249 >>ASSI { 8501} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 8501 weight 0.1000E+01 volume 25.42850 ppm1 8.009 ppm2 3.924 >>ASSI { 8511} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 8511 weight 0.1000E+01 volume 1.69240 ppm1 7.946 ppm2 -1.503 >>ASSI { 8521} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 8521 weight 0.1000E+01 volume 160.84540 ppm1 7.408 ppm2 3.079 >>ASSI { 8531} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 78 and name HG2# )) >> 6 6 0 peak 8531 weight 0.1000E+01 volume 40.37870 ppm1 7.412 ppm2 1.168 >>ASSI { 8541} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 8541 weight 0.1000E+01 volume 66.27510 ppm1 7.328 ppm2 1.293 >>ASSI { 8551} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 8551 weight 0.1000E+01 volume 360.11591 ppm1 8.037 ppm2 0.641 >>ASSI { 8561} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 89 and name HA )) >> 6 6 0 peak 8561 weight 0.1000E+01 volume 142.07260 ppm1 8.663 ppm2 4.765 >>ASSI { 8571} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 8571 weight 0.1000E+01 volume 151.24500 ppm1 7.946 ppm2 3.314 >>ASSI { 8581} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 110 and name HB1 )) >> 6 6 0 peak 8581 weight 0.1000E+01 volume 24.34320 ppm1 9.077 ppm2 2.375 >>ASSI { 8591} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 8591 weight 0.1000E+01 volume 343.60229 ppm1 7.633 ppm2 1.726 >>ASSI { 8601} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 8601 weight 0.1000E+01 volume 331.73569 ppm1 8.014 ppm2 1.613 >>ASSI { 8611} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 8611 weight 0.1000E+01 volume 134.77750 ppm1 8.010 ppm2 1.132 >>ASSI { 8621} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 8621 weight 0.1000E+01 volume 139.89680 ppm1 7.594 ppm2 1.639 >>ASSI { 8631} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 118 and name HB1 )) >> 6 6 0 peak 8631 weight 0.1000E+01 volume 375.25870 ppm1 8.031 ppm2 2.180 >>ASSI { 8641} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 118 and name HG2 )) >> 6 6 0 peak 8641 weight 0.1000E+01 volume 217.62270 ppm1 7.620 ppm2 2.450 >>ASSI { 8651} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 8651 weight 0.1000E+01 volume 128.90250 ppm1 8.545 ppm2 3.202 >>ASSI { 8661} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 8661 weight 0.1000E+01 volume 488.79709 ppm1 8.568 ppm2 1.780 >>ASSI { 8671} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 8671 weight 0.1000E+01 volume 75.28440 ppm1 8.565 ppm2 0.759 >>ASSI { 8681} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 12 and name HB1 )) >> 6 6 0 peak 8681 weight 0.1000E+01 volume 162.49541 ppm1 7.204 ppm2 2.048 >>ASSI { 8691} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 8691 weight 0.1000E+01 volume 132.98759 ppm1 8.148 ppm2 3.802 >>ASSI { 8701} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HA )) >> 6 6 0 peak 8701 weight 0.1000E+01 volume 19.15260 ppm1 8.677 ppm2 4.190 >>ASSI { 8711} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 120 and name HB2 )) >> 6 6 0 peak 8711 weight 0.1000E+01 volume 170.50490 ppm1 7.606 ppm2 1.643 >>ASSI { 8721} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 121 and name HA1 )) >> 6 6 0 peak 8721 weight 0.1000E+01 volume 31.43040 ppm1 7.594 ppm2 3.824 >>ASSI { 8731} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 8731 weight 0.1000E+01 volume 171.46471 ppm1 8.030 ppm2 4.294 >>ASSI { 8741} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 8741 weight 0.1000E+01 volume 15.94910 ppm1 7.182 ppm2 4.475 >>ASSI { 8751} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 76 and name HG2 )) >> 6 6 0 peak 8751 weight 0.1000E+01 volume 113.70310 ppm1 6.945 ppm2 1.251 >>ASSI { 8761} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 76 and name HG1 )) >> 6 6 0 peak 8761 weight 0.1000E+01 volume 245.02010 ppm1 6.945 ppm2 1.836 >>ASSI { 8771} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 76 and name HB1 )) >> 6 6 0 peak 8771 weight 0.1000E+01 volume 153.35001 ppm1 6.943 ppm2 2.233 >>ASSI { 8781} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 77 and name HB1 )) >> 6 6 0 peak 8781 weight 0.1000E+01 volume 64.31750 ppm1 6.944 ppm2 2.656 >>ASSI { 8791} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 8791 weight 0.1000E+01 volume 20.82450 ppm1 6.943 ppm2 3.753 >>ASSI { 8801} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 8801 weight 0.1000E+01 volume 70.31360 ppm1 6.946 ppm2 3.881 >>ASSI { 8811} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 75 and name HA )) >> 6 6 0 peak 8811 weight 0.1000E+01 volume 17.22410 ppm1 6.943 ppm2 4.218 >>ASSI { 8821} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 77 and name HN )) >> 6 6 0 peak 8821 weight 0.1000E+01 volume 80.53240 ppm1 6.940 ppm2 6.266 >>ASSI { 8831} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 8831 weight 0.1000E+01 volume 37.50280 ppm1 6.944 ppm2 7.526 >>ASSI { 8841} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 8841 weight 0.1000E+01 volume 22.96540 ppm1 6.944 ppm2 3.313 >>ASSI { 8851} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 8851 weight 0.1000E+01 volume 49.01160 ppm1 7.182 ppm2 0.907 >>ASSI { 8861} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 111 and name HG1 )) >> 6 6 0 peak 8861 weight 0.1000E+01 volume 43.96980 ppm1 6.975 ppm2 2.534 >>ASSI { 8871} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 8871 weight 0.1000E+01 volume 189.96671 ppm1 8.429 ppm2 4.137 >>ASSI { 8881} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HB2 )) >> 6 6 0 peak 8881 weight 0.1000E+01 volume 190.09689 ppm1 8.428 ppm2 1.981 >>ASSI { 8901} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 115 and name HB1 )) >> 6 6 0 peak 8901 weight 0.1000E+01 volume 35.24650 ppm1 6.562 ppm2 2.264 >>ASSI { 8911} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 8911 weight 0.1000E+01 volume 51.90800 ppm1 7.929 ppm2 2.213 >>ASSI { 8921} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 108 and name HA )) >> 6 6 0 peak 8921 weight 0.1000E+01 volume 36.58740 ppm1 8.552 ppm2 3.651 >>ASSI { 8931} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 8931 weight 0.1000E+01 volume 134.73030 ppm1 8.925 ppm2 2.934 >>ASSI { 8941} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 19 and name HN )) >> 6 6 0 peak 8941 weight 0.1000E+01 volume 26.06660 ppm1 7.445 ppm2 8.691 >>ASSI { 8951} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 8951 weight 0.1000E+01 volume 10.56060 ppm1 7.991 ppm2 4.412 >>ASSI { 8961} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 8961 weight 0.1000E+01 volume 324.99200 ppm1 7.612 ppm2 2.742 >>ASSI { 8971} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 118 and name HB2 )) >> 6 6 0 peak 8971 weight 0.1000E+01 volume 825.83002 ppm1 7.609 ppm2 1.807 >>ASSI { 8981} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 8981 weight 0.1000E+01 volume 45.05380 ppm1 7.282 ppm2 3.745 >>ASSI { 8991} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 10 and name HN )) >> 6 6 0 peak 8991 weight 0.1000E+01 volume 42.23880 ppm1 8.937 ppm2 9.221 >>ASSI { 9001} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 10 and name HA )) >> 6 6 0 peak 9001 weight 0.1000E+01 volume 485.13541 ppm1 9.228 ppm2 4.658 >>ASSI { 9011} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 48 and name HB1 )) >> 6 6 0 peak 9011 weight 0.1000E+01 volume 29.71990 ppm1 7.994 ppm2 3.140 >>ASSI { 9021} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HN )) >> 6 6 0 peak 9021 weight 0.1000E+01 volume 217.02390 ppm1 8.148 ppm2 7.828 >>ASSI { 9031} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 15 and name HG2 )) >> 6 6 0 peak 9031 weight 0.1000E+01 volume 380.19061 ppm1 8.145 ppm2 1.433 >>ASSI { 9041} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 9041 weight 0.1000E+01 volume 55.25450 ppm1 7.787 ppm2 4.158 >>ASSI { 9051} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 30 and name HB1 )) >> 6 6 0 peak 9051 weight 0.1000E+01 volume 182.91240 ppm1 9.476 ppm2 2.087 >>ASSI { 9061} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 78 and name HN )) >> 6 6 0 peak 9061 weight 0.1000E+01 volume 197.98320 ppm1 8.432 ppm2 7.335 >>ASSI { 9071} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 80 and name HN )) >> 6 6 0 peak 9071 weight 0.1000E+01 volume 85.27190 ppm1 7.409 ppm2 7.174 >>ASSI { 9081} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 9081 weight 0.1000E+01 volume 29.58090 ppm1 7.409 ppm2 7.945 >>ASSI { 9091} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 80 and name HN )) >> 6 6 0 peak 9091 weight 0.1000E+01 volume 39.57730 ppm1 7.943 ppm2 7.196 >>ASSI { 9101} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 9101 weight 0.1000E+01 volume 104.10620 ppm1 8.433 ppm2 3.862 >>ASSI { 9111} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 73 and name HA )) >> 6 6 0 peak 9111 weight 0.1000E+01 volume 118.96290 ppm1 7.665 ppm2 4.616 >>ASSI { 9121} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 9121 weight 0.1000E+01 volume 124.86400 ppm1 7.665 ppm2 4.298 >>ASSI { 9131} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 9131 weight 0.1000E+01 volume 346.83881 ppm1 7.665 ppm2 2.444 >>ASSI { 9141} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 76 and name HG1 )) >> 6 6 0 peak 9141 weight 0.1000E+01 volume 241.95171 ppm1 7.664 ppm2 1.818 >>ASSI { 9151} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 9151 weight 0.1000E+01 volume 613.53693 ppm1 7.667 ppm2 2.254 >>ASSI { 9161} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 71 and name HB1 )) >> 6 6 0 peak 9161 weight 0.1000E+01 volume 249.84711 ppm1 7.668 ppm2 2.761 >>ASSI { 9171} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 9171 weight 0.1000E+01 volume 113.17920 ppm1 7.665 ppm2 1.449 >>ASSI { 9181} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 72 and name HN )) >> 6 6 0 peak 9181 weight 0.1000E+01 volume 282.11389 ppm1 7.667 ppm2 8.915 >>ASSI { 9191} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 9191 weight 0.1000E+01 volume 458.79749 ppm1 7.665 ppm2 6.917 >>ASSI { 9201} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 75 and name HN )) >> 6 6 0 peak 9201 weight 0.1000E+01 volume 45.56030 ppm1 6.944 ppm2 7.917 >>ASSI { 9211} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 78 and name HN )) >> 6 6 0 peak 9211 weight 0.1000E+01 volume 30.65100 ppm1 6.941 ppm2 7.293 >>ASSI { 9221} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 9221 weight 0.1000E+01 volume 110.21740 ppm1 7.329 ppm2 6.728 >>ASSI { 9231} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 9231 weight 0.1000E+01 volume 52.15170 ppm1 7.666 ppm2 0.368 >>ASSI { 9241} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 9241 weight 0.1000E+01 volume 27.45390 ppm1 6.294 ppm2 0.242 >>ASSI { 9251} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 76 and name HA )) >> 6 6 0 peak 9251 weight 0.1000E+01 volume 13.04070 ppm1 6.289 ppm2 3.874 >>ASSI { 9261} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 77 and name HA )) >> 6 6 0 peak 9261 weight 0.1000E+01 volume 28.14730 ppm1 7.330 ppm2 3.361 >>ASSI { 9271} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 9271 weight 0.1000E+01 volume 445.74399 ppm1 8.070 ppm2 4.245 >>ASSI { 9281} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 9281 weight 0.1000E+01 volume 123.52850 ppm1 8.075 ppm2 1.653 >>ASSI { 9291} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 9291 weight 0.1000E+01 volume 73.58200 ppm1 8.077 ppm2 7.916 >>ASSI { 9301} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 88 and name HN )) >> 6 6 0 peak 9301 weight 0.1000E+01 volume 66.39130 ppm1 7.483 ppm2 7.320 >>ASSI { 9311} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 106 and name HN )) >> 6 6 0 peak 9311 weight 0.1000E+01 volume 89.69400 ppm1 7.486 ppm2 7.963 >>ASSI { 9321} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 9321 weight 0.1000E+01 volume 20.35330 ppm1 7.490 ppm2 7.013 >>ASSI { 9331} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 81 and name HA )) >> 6 6 0 peak 9331 weight 0.1000E+01 volume 513.72278 ppm1 7.324 ppm2 2.485 >>ASSI { 9341} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 86 and name HN )) >> 6 6 0 peak 9341 weight 0.1000E+01 volume 66.46060 ppm1 7.485 ppm2 9.608 >>ASSI { 9351} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 9351 weight 0.1000E+01 volume 27.40480 ppm1 9.604 ppm2 4.024 >>ASSI { 9361} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 9361 weight 0.1000E+01 volume 26.37100 ppm1 8.662 ppm2 4.988 >>ASSI { 9371} >> (( segid "PROT" and resid 5 and name HN )) >> (( segid "PROT" and resid 5 and name HG1 )) >> 6 6 0 peak 9371 weight 0.1000E+01 volume 89.60910 ppm1 8.482 ppm2 1.628 >>ASSI { 9381} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 17 and name HN )) >> 6 6 0 peak 9381 weight 0.1000E+01 volume 23.13470 ppm1 8.678 ppm2 7.461 >>ASSI { 9391} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 9391 weight 0.1000E+01 volume 8.50300 ppm1 7.987 ppm2 7.074 >>ASSI { 9401} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 9401 weight 0.1000E+01 volume 138.33080 ppm1 9.472 ppm2 4.735 >>ASSI { 9411} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 9411 weight 0.1000E+01 volume 572.65222 ppm1 7.593 ppm2 1.799 >>ASSI { 9421} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 37 and name HB1 )) >> 6 6 0 peak 9421 weight 0.1000E+01 volume 651.82257 ppm1 7.594 ppm2 2.200 >>ASSI { 9431} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 48 and name HB1 )) >> 6 6 0 peak 9431 weight 0.1000E+01 volume 38.64280 ppm1 7.638 ppm2 3.137 >>ASSI { 9441} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 9441 weight 0.1000E+01 volume 74.58890 ppm1 8.508 ppm2 3.699 >>ASSI { 9451} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 54 and name HN )) >> 6 6 0 peak 9451 weight 0.1000E+01 volume 21.25400 ppm1 8.618 ppm2 7.646 >>ASSI { 9461} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 9461 weight 0.1000E+01 volume 13.48090 ppm1 8.237 ppm2 2.605 >>ASSI { 9471} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 9471 weight 0.1000E+01 volume 90.64400 ppm1 8.236 ppm2 1.339 >>ASSI { 9481} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 9481 weight 0.1000E+01 volume 66.10980 ppm1 9.135 ppm2 4.194 >>ASSI { 9501} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 69 and name HA1 )) >> 6 6 0 peak 9501 weight 0.1000E+01 volume 27.61920 ppm1 7.752 ppm2 4.220 >>ASSI { 9511} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 9511 weight 0.1000E+01 volume 76.54060 ppm1 8.543 ppm2 3.923 >>ASSI { 9521} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 9521 weight 0.1000E+01 volume 54.05470 ppm1 8.573 ppm2 3.410 >>ASSI { 9531} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 69 and name HA2 )) >> 6 6 0 peak 9531 weight 0.1000E+01 volume 19.44390 ppm1 8.378 ppm2 3.856 >>ASSI { 9541} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 9541 weight 0.1000E+01 volume 10.73970 ppm1 8.117 ppm2 3.401 >>ASSI { 9561} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 9561 weight 0.1000E+01 volume 56.89090 ppm1 8.796 ppm2 4.312 >>ASSI { 9581} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 9581 weight 0.1000E+01 volume 38.25940 ppm1 7.168 ppm2 1.754 >>ASSI { 9591} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 9591 weight 0.1000E+01 volume 23.51480 ppm1 8.549 ppm2 4.466 >>ASSI { 9601} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 104 and name HN )) >> 6 6 0 peak 9601 weight 0.1000E+01 volume 86.60190 ppm1 8.013 ppm2 7.811 >>ASSI { 9611} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 105 and name HN )) >> 6 6 0 peak 9611 weight 0.1000E+01 volume 201.63721 ppm1 7.798 ppm2 8.015 >>ASSI { 9621} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HN )) >> 6 6 0 peak 9621 weight 0.1000E+01 volume 20.04990 ppm1 7.962 ppm2 7.817 >>ASSI { 9631} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 89 and name HN )) >> 6 6 0 peak 9631 weight 0.1000E+01 volume 72.10210 ppm1 8.117 ppm2 8.668 >>ASSI { 9641} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 9641 weight 0.1000E+01 volume 86.29870 ppm1 7.798 ppm2 4.479 >>ASSI { 9651} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 9651 weight 0.1000E+01 volume 14.13440 ppm1 7.963 ppm2 3.185 >>ASSI { 9661} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 102 and name HA )) >> 6 6 0 peak 9661 weight 0.1000E+01 volume 24.44610 ppm1 8.013 ppm2 3.206 >>ASSI { 9671} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 9671 weight 0.1000E+01 volume 59.92160 ppm1 8.010 ppm2 4.257 >>ASSI { 9681} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 9681 weight 0.1000E+01 volume 64.37790 ppm1 7.482 ppm2 4.012 >>ASSI { 9691} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HB2 )) >> 6 6 0 peak 9691 weight 0.1000E+01 volume 87.21480 ppm1 7.962 ppm2 1.116 >>ASSI { 9701} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 9701 weight 0.1000E+01 volume 34.95770 ppm1 7.325 ppm2 7.012 >>ASSI { 9711} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 107 and name HA )) >> 6 6 0 peak 9711 weight 0.1000E+01 volume 178.40070 ppm1 8.557 ppm2 4.125 >>ASSI { 9721} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 9721 weight 0.1000E+01 volume 124.16750 ppm1 6.977 ppm2 4.099 >>ASSI { 9731} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 113 and name HA )) >> 6 6 0 peak 9731 weight 0.1000E+01 volume 59.67740 ppm1 6.561 ppm2 4.103 >>ASSI { 9741} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 115 and name HB2 )) >> 6 6 0 peak 9741 weight 0.1000E+01 volume 71.39400 ppm1 6.561 ppm2 1.883 >>ASSI { 9751} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 9751 weight 0.1000E+01 volume 53.09430 ppm1 7.595 ppm2 4.330 >>ASSI { 9761} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 111 and name HG1 )) >> 6 6 0 peak 9761 weight 0.1000E+01 volume 169.15891 ppm1 7.329 ppm2 2.515 >>ASSI { 9771} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HG2 )) >> 6 6 0 peak 9771 weight 0.1000E+01 volume 43.34200 ppm1 8.471 ppm2 0.740 >>ASSI { 9781} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HB1 )) >> 6 6 0 peak 9781 weight 0.1000E+01 volume 210.03520 ppm1 8.145 ppm2 1.667 >>ASSI { 9801} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 9801 weight 0.1000E+01 volume 27.56520 ppm1 7.898 ppm2 1.428 >>ASSI { 9811} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 9811 weight 0.1000E+01 volume 36.29900 ppm1 7.279 ppm2 1.295 >>ASSI { 9821} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 29 and name HB2 )) >> 6 6 0 peak 9821 weight 0.1000E+01 volume 129.94910 ppm1 8.261 ppm2 2.284 >>ASSI { 9831} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 117 and name HB1 )) >> 6 6 0 peak 9831 weight 0.1000E+01 volume 336.39951 ppm1 8.460 ppm2 2.224 >>ASSI { 9841} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 13 and name HB1 )) >> 6 6 0 peak 9841 weight 0.1000E+01 volume 55.16060 ppm1 8.937 ppm2 2.432 >>ASSI { 9851} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 13 and name HB2 )) >> 6 6 0 peak 9851 weight 0.1000E+01 volume 142.98981 ppm1 7.203 ppm2 2.197 >>ASSI { 9861} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 9861 weight 0.1000E+01 volume 11.76800 ppm1 7.633 ppm2 4.458 >>ASSI { 9871} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 110 and name HG2 )) >> 6 6 0 peak 9871 weight 0.1000E+01 volume 157.71700 ppm1 8.553 ppm2 2.525 >>ASSI { 9881} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 56 and name HD2 )) >> 6 6 0 peak 9881 weight 0.1000E+01 volume 62.76240 ppm1 8.592 ppm2 3.461 >>ASSI { 9891} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 109 and name HA )) >> 6 6 0 peak 9891 weight 0.1000E+01 volume 60.22740 ppm1 7.932 ppm2 4.001 >>ASSI { 9901} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 9901 weight 0.1000E+01 volume 87.92740 ppm1 7.991 ppm2 0.511 >>ASSI { 9911} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 9911 weight 0.1000E+01 volume 50.92350 ppm1 6.902 ppm2 1.176 >>ASSI { 9921} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 9921 weight 0.1000E+01 volume 18.58800 ppm1 7.896 ppm2 0.876 >>ASSI { 9931} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 9931 weight 0.1000E+01 volume 14.03560 ppm1 7.893 ppm2 1.093 >>ASSI { 9941} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 23 and name HB1 )) >> 6 6 0 peak 9941 weight 0.1000E+01 volume 15.65520 ppm1 7.894 ppm2 2.045 >>ASSI { 9951} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 9951 weight 0.1000E+01 volume 38.27890 ppm1 7.999 ppm2 5.555 >>ASSI { 9961} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 46 and name HD1# )) >> 6 6 0 peak 9961 weight 0.1000E+01 volume 13.57270 ppm1 7.994 ppm2 0.397 >>ASSI { 9971} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 46 and name HG12 )) >> 6 6 0 peak 9971 weight 0.1000E+01 volume 5.74330 ppm1 7.994 ppm2 0.620 >>ASSI { 9981} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 9981 weight 0.1000E+01 volume 27.42470 ppm1 8.115 ppm2 2.446 >>ASSI { 10001} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 103 and name HB2 )) >> 6 6 0 peak 10001 weight 0.1000E+01 volume 21.94460 ppm1 8.854 ppm2 4.118 >>ASSI { 10011} >> (( segid "PROT" and resid 89 and name HE1 )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 10011 weight 0.1000E+01 volume 17.03010 ppm1 8.858 ppm2 3.730 >>ASSI { 10061} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 67 and name HN )) >> 6 6 0 peak 10061 weight 0.1000E+01 volume 8.32980 ppm1 7.426 ppm2 9.128 >>ASSI { 10071} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 37 and name HG1 )) >> 6 6 0 peak 10071 weight 0.1000E+01 volume 51.85370 ppm1 7.424 ppm2 2.237 >>ASSI { 10081} >> (( segid "PROT" and resid 37 and name HE22 )) >> (( segid "PROT" and resid 37 and name HE21 )) >> 6 6 0 peak 10081 weight 0.1000E+01 volume 495.80469 ppm1 6.838 ppm2 7.423 >>ASSI { 10091} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 103 and name HB2 )) >> 6 6 0 peak 10091 weight 0.1000E+01 volume 48.66210 ppm1 8.458 ppm2 4.117 >>ASSI { 10101} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 102 and name HB1 )) >> 6 6 0 peak 10101 weight 0.1000E+01 volume 23.97460 ppm1 8.456 ppm2 3.069 >>ASSI { 10121} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 10121 weight 0.1000E+01 volume 18.22680 ppm1 8.459 ppm2 2.034 >>ASSI { 10131} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 10131 weight 0.1000E+01 volume 60.34440 ppm1 7.831 ppm2 1.711 >>ASSI { 10141} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 25 and name HB1 )) >> 6 6 0 peak 10141 weight 0.1000E+01 volume 12.51230 ppm1 7.834 ppm2 2.274 >>ASSI { 10161} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 10161 weight 0.1000E+01 volume 30.09080 ppm1 8.508 ppm2 5.549 >>ASSI { 10171} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 10171 weight 0.1000E+01 volume 11.28240 ppm1 8.504 ppm2 4.478 >>ASSI { 10181} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 46 and name HD1# )) >> 6 6 0 peak 10181 weight 0.1000E+01 volume 5.80350 ppm1 8.511 ppm2 0.413 >>ASSI { 10191} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 10191 weight 0.1000E+01 volume 7.30250 ppm1 8.509 ppm2 0.573 >>ASSI { 10201} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 10201 weight 0.1000E+01 volume 30.97750 ppm1 8.025 ppm2 2.638 >>ASSI { 10211} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 10211 weight 0.1000E+01 volume 9.15430 ppm1 8.029 ppm2 1.356 >>ASSI { 10221} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 10221 weight 0.1000E+01 volume 11.06980 ppm1 8.027 ppm2 0.183 >>ASSI { 10231} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 10231 weight 0.1000E+01 volume 9.44220 ppm1 8.030 ppm2 1.582 >>ASSI { 10241} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 92 and name HB2 )) >> 6 6 0 peak 10241 weight 0.1000E+01 volume 81.37820 ppm1 7.634 ppm2 2.855 >>ASSI { 10251} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 10251 weight 0.1000E+01 volume 22.90990 ppm1 7.632 ppm2 1.020 >>ASSI { 10261} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 10261 weight 0.1000E+01 volume 26.42560 ppm1 7.639 ppm2 0.592 >>ASSI { 10271} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 74 and name HD1 )) >> 6 6 0 peak 10271 weight 0.1000E+01 volume 14.82460 ppm1 7.668 ppm2 3.769 >>ASSI { 10281} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 76 and name HG2 )) >> 6 6 0 peak 10281 weight 0.1000E+01 volume 8.65140 ppm1 7.662 ppm2 1.258 >>ASSI { 10291} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 10291 weight 0.1000E+01 volume 8.97120 ppm1 7.262 ppm2 0.182 >>ASSI { 10301} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 24 and name HN )) >> 6 6 0 peak 10301 weight 0.1000E+01 volume 44.12020 ppm1 7.270 ppm2 7.586 >>ASSI { 10311} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 22 and name HN )) >> 6 6 0 peak 10311 weight 0.1000E+01 volume 21.30980 ppm1 7.269 ppm2 7.011 >>ASSI { 10321} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 10321 weight 0.1000E+01 volume 12.19170 ppm1 7.268 ppm2 2.900 >>ASSI { 10331} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 10331 weight 0.1000E+01 volume 4.80270 ppm1 8.037 ppm2 7.082 >>ASSI { 10341} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 10341 weight 0.1000E+01 volume 15.39380 ppm1 8.036 ppm2 3.668 >>ASSI { 10351} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 97 and name HD1 )) >> 6 6 0 peak 10351 weight 0.1000E+01 volume 8.77370 ppm1 8.039 ppm2 3.040 >>ASSI { 10361} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 40 and name HB1 )) >> 6 6 0 peak 10361 weight 0.1000E+01 volume 9.79270 ppm1 7.755 ppm2 2.913 >>ASSI { 10381} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 41 and name HG2 )) >> 6 6 0 peak 10381 weight 0.1000E+01 volume 12.16470 ppm1 7.755 ppm2 1.094 >>ASSI { 10391} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 10391 weight 0.1000E+01 volume 13.32990 ppm1 7.756 ppm2 0.845 >>ASSI { 10401} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 10401 weight 0.1000E+01 volume 6.57060 ppm1 7.758 ppm2 0.439 >>ASSI { 10411} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 112 and name HB1 )) >> 6 6 0 peak 10411 weight 0.1000E+01 volume 25.38010 ppm1 7.327 ppm2 2.014 >>ASSI { 10421} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 10421 weight 0.1000E+01 volume 14.00320 ppm1 8.238 ppm2 1.717 >>ASSI { 10431} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 10431 weight 0.1000E+01 volume 9.16710 ppm1 8.232 ppm2 1.546 >>ASSI { 10441} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 60 and name HB1 )) >> 6 6 0 peak 10441 weight 0.1000E+01 volume 17.40270 ppm1 8.236 ppm2 4.387 >>ASSI { 10451} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 15 and name HD1 )) >> 6 6 0 peak 10451 weight 0.1000E+01 volume 13.41930 ppm1 7.790 ppm2 3.303 >>ASSI { 10461} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 10461 weight 0.1000E+01 volume 4.94750 ppm1 7.788 ppm2 0.301 >>ASSI { 10481} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 10481 weight 0.1000E+01 volume 7.58190 ppm1 7.936 ppm2 1.406 >>ASSI { 10491} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 55 and name HD21 )) >> 6 6 0 peak 10491 weight 0.1000E+01 volume 12.95290 ppm1 8.594 ppm2 6.900 >>ASSI { 10501} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 54 and name HG1 )) >> 6 6 0 peak 10501 weight 0.1000E+01 volume 32.98610 ppm1 8.590 ppm2 1.412 >>ASSI { 10511} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 10511 weight 0.1000E+01 volume 27.34770 ppm1 8.591 ppm2 0.912 >>ASSI { 10521} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 79 and name HB2 )) >> 6 6 0 peak 10521 weight 0.1000E+01 volume 46.72230 ppm1 8.433 ppm2 2.729 >>ASSI { 10531} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 10531 weight 0.1000E+01 volume 21.58150 ppm1 7.445 ppm2 3.802 >>ASSI { 10541} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 32 and name HN )) >> 6 6 0 peak 10541 weight 0.1000E+01 volume 22.29400 ppm1 7.294 ppm2 7.989 >>ASSI { 10551} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 10551 weight 0.1000E+01 volume 27.64150 ppm1 8.829 ppm2 0.901 >>ASSI { 10561} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 10561 weight 0.1000E+01 volume 13.70520 ppm1 7.168 ppm2 0.187 >>ASSI { 10571} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HG2# )) >> 6 6 0 peak 10571 weight 0.1000E+01 volume 22.32360 ppm1 7.634 ppm2 1.052 >>ASSI { 10581} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 10581 weight 0.1000E+01 volume 14.21660 ppm1 7.637 ppm2 1.425 >>ASSI { 10591} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 10591 weight 0.1000E+01 volume 11.27140 ppm1 6.565 ppm2 4.560 >>ASSI { 10601} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 93 and name HB1 )) >> 6 6 0 peak 10601 weight 0.1000E+01 volume 34.12810 ppm1 8.794 ppm2 1.915 >>ASSI { 10611} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 92 and name HB1 )) >> 6 6 0 peak 10611 weight 0.1000E+01 volume 34.07990 ppm1 8.795 ppm2 3.020 >>ASSI { 10621} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 92 and name HB2 )) >> 6 6 0 peak 10621 weight 0.1000E+01 volume 16.10850 ppm1 8.801 ppm2 2.852 >>ASSI { 10631} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 10631 weight 0.1000E+01 volume 36.83360 ppm1 8.425 ppm2 4.962 >>ASSI { 10641} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 10641 weight 0.1000E+01 volume 12.09320 ppm1 8.454 ppm2 1.226 >>ASSI { 10651} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 10651 weight 0.1000E+01 volume 12.33430 ppm1 8.459 ppm2 1.551 >>ASSI { 10661} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 73 and name HB2 )) >> 6 6 0 peak 10661 weight 0.1000E+01 volume 11.09080 ppm1 6.946 ppm2 1.478 >>ASSI { 10671} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 10671 weight 0.1000E+01 volume 3.83780 ppm1 7.758 ppm2 2.573 >>ASSI { 10681} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 10681 weight 0.1000E+01 volume 30.71120 ppm1 7.759 ppm2 3.686 >>ASSI { 10691} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 10691 weight 0.1000E+01 volume 17.29560 ppm1 7.762 ppm2 3.403 >>ASSI { 10701} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 10701 weight 0.1000E+01 volume 38.83260 ppm1 7.759 ppm2 4.333 >>ASSI { 10711} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 10711 weight 0.1000E+01 volume 37.73470 ppm1 7.754 ppm2 7.101 >>ASSI { 10721} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 99 and name HN )) >> 6 6 0 peak 10721 weight 0.1000E+01 volume 34.48110 ppm1 7.753 ppm2 7.313 >>ASSI { 10731} >> (( segid "PROT" and resid 96 and name HN )) >> (( segid "PROT" and resid 95 and name HN )) >> 6 6 0 peak 10731 weight 0.1000E+01 volume 37.56810 ppm1 7.863 ppm2 6.878 >>ASSI { 10751} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 10751 weight 0.1000E+01 volume 9.78750 ppm1 9.605 ppm2 3.333 >>ASSI { 10761} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 10761 weight 0.1000E+01 volume 24.67840 ppm1 8.116 ppm2 4.436 >>ASSI { 10771} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 10771 weight 0.1000E+01 volume 25.12380 ppm1 8.014 ppm2 2.035 >>ASSI { 10781} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 105 and name HB1 )) >> 6 6 0 peak 10781 weight 0.1000E+01 volume 44.12250 ppm1 8.013 ppm2 1.476 >>ASSI { 10791} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 106 and name HB# )) >> 6 6 0 peak 10791 weight 0.1000E+01 volume 28.84900 ppm1 8.011 ppm2 0.924 >>ASSI { 10801} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 10801 weight 0.1000E+01 volume 37.39540 ppm1 7.581 ppm2 4.137 >>ASSI { 10811} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 10811 weight 0.1000E+01 volume 26.05230 ppm1 7.580 ppm2 0.874 >>ASSI { 10821} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 25 and name HB2 )) >> 6 6 0 peak 10821 weight 0.1000E+01 volume 8.46440 ppm1 7.576 ppm2 1.100 >>ASSI { 10841} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 63 and name HA )) >> 6 6 0 peak 10841 weight 0.1000E+01 volume 34.46810 ppm1 8.774 ppm2 3.717 >>ASSI { 10851} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 63 and name HE1 )) >> 6 6 0 peak 10851 weight 0.1000E+01 volume 6.45370 ppm1 8.773 ppm2 2.837 >>ASSI { 10861} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 10861 weight 0.1000E+01 volume 22.77520 ppm1 9.078 ppm2 6.061 >>ASSI { 10871} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 110 and name HN )) >> 6 6 0 peak 10871 weight 0.1000E+01 volume 24.35560 ppm1 9.073 ppm2 8.545 >>ASSI { 10881} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 18 and name HD1# )) >> 6 6 0 peak 10881 weight 0.1000E+01 volume 6.64280 ppm1 7.329 ppm2 0.249 >>ASSI { 10891} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 52 and name HG11 )) >> 6 6 0 peak 10891 weight 0.1000E+01 volume 22.53700 ppm1 7.181 ppm2 1.606 >>ASSI { 10901} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 12 and name HN )) >> 6 6 0 peak 10901 weight 0.1000E+01 volume 6.49170 ppm1 7.857 ppm2 9.763 >>ASSI { 10911} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 12 and name HB1 )) >> 6 6 0 peak 10911 weight 0.1000E+01 volume 41.07820 ppm1 7.855 ppm2 2.061 >>ASSI { 10921} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 10921 weight 0.1000E+01 volume 41.82900 ppm1 7.857 ppm2 1.859 >>ASSI { 10931} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 10 and name HN )) >> 6 6 0 peak 10931 weight 0.1000E+01 volume 14.76330 ppm1 7.213 ppm2 9.227 >>ASSI { 10941} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 10941 weight 0.1000E+01 volume 19.83150 ppm1 7.203 ppm2 3.813 >>ASSI { 10951} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 104 and name HN )) >> 6 6 0 peak 10951 weight 0.1000E+01 volume 7.16120 ppm1 8.544 ppm2 7.785 >>ASSI { 10961} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 10961 weight 0.1000E+01 volume 27.16760 ppm1 8.548 ppm2 7.309 >>ASSI { 10971} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 10971 weight 0.1000E+01 volume 9.43790 ppm1 8.545 ppm2 3.636 >>ASSI { 10991} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 10991 weight 0.1000E+01 volume 11.74380 ppm1 7.262 ppm2 0.355 >>ASSI { 11001} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 11001 weight 0.1000E+01 volume 9.60120 ppm1 7.260 ppm2 0.908 >>ASSI { 11011} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 57 and name HB1 )) >> 6 6 0 peak 11011 weight 0.1000E+01 volume 28.90210 ppm1 7.269 ppm2 2.176 >>ASSI { 11021} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 57 and name HN )) >> 6 6 0 peak 11021 weight 0.1000E+01 volume 6.88510 ppm1 7.266 ppm2 8.420 >>ASSI { 11031} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 11031 weight 0.1000E+01 volume 16.01520 ppm1 9.171 ppm2 1.719 >>ASSI { 11041} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 96 and name HA )) >> 6 6 0 peak 11041 weight 0.1000E+01 volume 36.09090 ppm1 7.314 ppm2 4.352 >>ASSI { 11051} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 11051 weight 0.1000E+01 volume 51.34740 ppm1 7.315 ppm2 0.605 >>ASSI { 11061} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 120 and name HD1# )) >> 6 6 0 peak 11061 weight 0.1000E+01 volume 147.90390 ppm1 7.596 ppm2 0.657 >>ASSI { 11071} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 11071 weight 0.1000E+01 volume 44.86150 ppm1 7.415 ppm2 2.361 >>ASSI { 11081} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 11081 weight 0.1000E+01 volume 38.06070 ppm1 7.409 ppm2 1.277 >>ASSI { 11091} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 81 and name HG2# )) >> 6 6 0 peak 11091 weight 0.1000E+01 volume 3.84340 ppm1 7.171 ppm2 -1.481 >>ASSI { 11101} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 81 and name HG1# )) >> 6 6 0 peak 11101 weight 0.1000E+01 volume 9.23770 ppm1 7.169 ppm2 -0.263 >>ASSI { 11111} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 11111 weight 0.1000E+01 volume 9.19680 ppm1 7.166 ppm2 0.324 >>ASSI { 11121} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 11121 weight 0.1000E+01 volume 7.74070 ppm1 7.171 ppm2 3.051 >>ASSI { 11131} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 11131 weight 0.1000E+01 volume 9.25060 ppm1 6.438 ppm2 1.348 >>ASSI { 11141} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HG1 )) >> 6 6 0 peak 11141 weight 0.1000E+01 volume 40.52640 ppm1 6.442 ppm2 2.181 >>ASSI { 11161} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HA )) >> 6 6 0 peak 11161 weight 0.1000E+01 volume 14.50920 ppm1 6.440 ppm2 3.928 >>ASSI { 11171} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HD2 )) >> 6 6 0 peak 11171 weight 0.1000E+01 volume 17.01870 ppm1 8.475 ppm2 1.353 >>ASSI { 11181} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 11181 weight 0.1000E+01 volume 12.71030 ppm1 8.474 ppm2 4.204 >>ASSI { 11191} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HG12 )) >> 6 6 0 peak 11191 weight 0.1000E+01 volume 10.77400 ppm1 8.618 ppm2 1.425 >>ASSI { 11201} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HD2 )) >> 6 6 0 peak 11201 weight 0.1000E+01 volume 18.35200 ppm1 7.796 ppm2 1.614 >>ASSI { 11211} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HG2 )) >> 6 6 0 peak 11211 weight 0.1000E+01 volume 14.88690 ppm1 7.799 ppm2 1.239 >>ASSI { 11221} >> (( segid "PROT" and resid 94 and name HN )) >> (( segid "PROT" and resid 94 and name HG1 )) >> 6 6 0 peak 11221 weight 0.1000E+01 volume 6.99110 ppm1 8.820 ppm2 1.143 >>ASSI { 11231} >> (( segid "PROT" and resid 94 and name HN )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 11231 weight 0.1000E+01 volume 21.21750 ppm1 8.817 ppm2 4.309 >>ASSI { 11241} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 11241 weight 0.1000E+01 volume 13.56770 ppm1 6.976 ppm2 0.885 >>ASSI { 11251} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 7 and name HD1 )) >> 6 6 0 peak 11251 weight 0.1000E+01 volume 60.44330 ppm1 8.028 ppm2 1.452 >>ASSI { 11261} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 7 and name HN )) >> 6 6 0 peak 11261 weight 0.1000E+01 volume 46.05000 ppm1 8.028 ppm2 8.296 >>ASSI { 11321} >> (( segid "PROT" and resid 54 and name HN )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 11321 weight 0.1000E+01 volume 10.06490 ppm1 7.665 ppm2 2.739 >>ASSI { 11331} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 11331 weight 0.1000E+01 volume 27.04590 ppm1 8.679 ppm2 1.556 >>ASSI { 11341} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 11341 weight 0.1000E+01 volume 9.87490 ppm1 8.676 ppm2 0.511 >>ASSI { 11351} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 63 and name HN )) >> 6 6 0 peak 11351 weight 0.1000E+01 volume 10.52130 ppm1 7.523 ppm2 8.786 >>ASSI { 11371} >> (( segid "PROT" and resid 15 and name HE )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 11371 weight 0.1000E+01 volume 36.27620 ppm1 7.798 ppm2 1.881 >>ASSI { 11381} >> (( segid "PROT" and resid 15 and name HE )) >> (( segid "PROT" and resid 15 and name HG1 )) >> 6 6 0 peak 11381 weight 0.1000E+01 volume 36.59310 ppm1 7.798 ppm2 1.514 >>ASSI { 11401} >> (( segid "PROT" and resid 27 and name HE )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 11401 weight 0.1000E+01 volume 12.91440 ppm1 7.320 ppm2 1.697 >>ASSI { 11411} >> (( segid "PROT" and resid 27 and name HE )) >> (( segid "PROT" and resid 27 and name HB1 )) >> 6 6 0 peak 11411 weight 0.1000E+01 volume 6.96910 ppm1 7.323 ppm2 1.871 >>ASSI { 11421} >> (( segid "PROT" and resid 27 and name HE )) >> (( segid "PROT" and resid 27 and name HD1 )) >> 6 6 0 peak 11421 weight 0.1000E+01 volume 53.91690 ppm1 7.320 ppm2 3.158 >>ASSI { 11431} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 97 and name HB2 )) >> 6 6 0 peak 11431 weight 0.1000E+01 volume 9.33960 ppm1 8.824 ppm2 1.312 >>ASSI { 11441} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 97 and name HB1 )) >> 6 6 0 peak 11441 weight 0.1000E+01 volume 13.62920 ppm1 8.817 ppm2 1.577 >>ASSI { 11451} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 97 and name HA )) >> 6 6 0 peak 11451 weight 0.1000E+01 volume 11.06590 ppm1 8.822 ppm2 3.664 >>ASSI { 11461} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 96 and name HB2 )) >> 6 6 0 peak 11461 weight 0.1000E+01 volume 5.38300 ppm1 8.827 ppm2 3.971 >>ASSI { 11471} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 96 and name HA )) >> 6 6 0 peak 11471 weight 0.1000E+01 volume 44.03560 ppm1 8.821 ppm2 4.401 >>ASSI { 11481} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 14 and name HG )) >> 6 6 0 peak 11481 weight 0.1000E+01 volume 11.78620 ppm1 9.227 ppm2 1.422 >>ASSI { 11491} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 11491 weight 0.1000E+01 volume 6.14270 ppm1 9.228 ppm2 0.856 >>ASSI { 11501} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 11501 weight 0.1000E+01 volume 8.92180 ppm1 9.224 ppm2 4.154 >>ASSI { 11511} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 13 and name HN )) >> 6 6 0 peak 11511 weight 0.1000E+01 volume 20.41420 ppm1 9.227 ppm2 7.212 >>ASSI { 11521} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 11521 weight 0.1000E+01 volume 26.98140 ppm1 9.478 ppm2 7.080 >>ASSI { 11531} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 11531 weight 0.1000E+01 volume 47.90330 ppm1 9.474 ppm2 2.590 >>ASSI { 11541} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 11541 weight 0.1000E+01 volume 23.19530 ppm1 7.987 ppm2 4.751 >>ASSI { 11551} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 30 and name HA )) >> 6 6 0 peak 11551 weight 0.1000E+01 volume 4.46080 ppm1 7.992 ppm2 5.049 >>ASSI { 11561} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 60 and name HN )) >> 6 6 0 peak 11561 weight 0.1000E+01 volume 15.93990 ppm1 7.285 ppm2 8.235 >>ASSI { 11571} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 63 and name HN )) >> 6 6 0 peak 11571 weight 0.1000E+01 volume 8.02550 ppm1 7.286 ppm2 8.789 >>ASSI { 11581} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 22 and name HG )) >> 6 6 0 peak 11581 weight 0.1000E+01 volume 7.64550 ppm1 7.043 ppm2 1.896 >>ASSI { 11591} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 11591 weight 0.1000E+01 volume 7.09520 ppm1 7.043 ppm2 6.619 >>ASSI { 11601} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 67 and name HA )) >> 6 6 0 peak 11601 weight 0.1000E+01 volume 44.56120 ppm1 7.748 ppm2 4.358 >>ASSI { 11611} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 69 and name HA2 )) >> 6 6 0 peak 11611 weight 0.1000E+01 volume 9.93460 ppm1 7.750 ppm2 3.932 >>ASSI { 11621} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 11621 weight 0.1000E+01 volume 5.46730 ppm1 7.753 ppm2 3.407 >>ASSI { 11631} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 40 and name HN )) >> 6 6 0 peak 11631 weight 0.1000E+01 volume 8.33390 ppm1 8.450 ppm2 7.301 >>ASSI { 11641} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 13 and name HB2 )) >> 6 6 0 peak 11641 weight 0.1000E+01 volume 8.04300 ppm1 8.942 ppm2 2.251 >>ASSI { 11651} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 7 and name HB1 )) >> 6 6 0 peak 11651 weight 0.1000E+01 volume 14.15930 ppm1 8.935 ppm2 1.597 >>ASSI { 11661} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 23 and name HN )) >> 6 6 0 peak 11661 weight 0.1000E+01 volume 19.71770 ppm1 7.480 ppm2 8.752 >>ASSI { 11671} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 22 and name HB1 )) >> 6 6 0 peak 11671 weight 0.1000E+01 volume 16.03190 ppm1 7.477 ppm2 2.204 >>ASSI { 11681} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 20 and name HB1 )) >> 6 6 0 peak 11681 weight 0.1000E+01 volume 7.09060 ppm1 7.471 ppm2 2.419 >>ASSI { 11691} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 38 and name HA )) >> 6 6 0 peak 11691 weight 0.1000E+01 volume 12.62400 ppm1 7.281 ppm2 4.095 >>ASSI { 11701} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 39 and name HB )) >> 6 6 0 peak 11701 weight 0.1000E+01 volume 8.62870 ppm1 7.276 ppm2 1.206 >>ASSI { 11711} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 11711 weight 0.1000E+01 volume 13.97320 ppm1 7.280 ppm2 0.395 >>ASSI { 11721} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 11721 weight 0.1000E+01 volume 10.02270 ppm1 7.382 ppm2 2.356 >>ASSI { 11731} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 42 and name HB1 )) >> 6 6 0 peak 11731 weight 0.1000E+01 volume 7.83620 ppm1 7.386 ppm2 2.098 >>ASSI { 11741} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 11741 weight 0.1000E+01 volume 18.14230 ppm1 7.385 ppm2 1.311 >>ASSI { 11751} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 43 and name HD2# )) >> 6 6 0 peak 11751 weight 0.1000E+01 volume 8.37360 ppm1 7.385 ppm2 0.834 >>ASSI { 11761} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 46 and name HG12 )) >> 6 6 0 peak 11761 weight 0.1000E+01 volume 15.19820 ppm1 7.383 ppm2 0.647 >>ASSI { 11771} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 11771 weight 0.1000E+01 volume 33.12510 ppm1 7.387 ppm2 0.478 >>ASSI { 11801} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 45 and name HN )) >> 6 6 0 peak 11801 weight 0.1000E+01 volume 45.12340 ppm1 7.862 ppm2 7.392 >>ASSI { 11811} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 44 and name HN )) >> 6 6 0 peak 11811 weight 0.1000E+01 volume 7.66520 ppm1 7.860 ppm2 7.535 >>ASSI { 11821} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 11821 weight 0.1000E+01 volume 32.34520 ppm1 7.862 ppm2 4.958 >>ASSI { 11831} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 47 and name HA )) >> 6 6 0 peak 11831 weight 0.1000E+01 volume 27.87610 ppm1 7.863 ppm2 4.092 >>ASSI { 11841} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 45 and name HA1 )) >> 6 6 0 peak 11841 weight 0.1000E+01 volume 52.56680 ppm1 7.863 ppm2 3.907 >>ASSI { 11851} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 11851 weight 0.1000E+01 volume 28.49060 ppm1 7.863 ppm2 3.641 >>ASSI { 11861} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 47 and name HD2 )) >> 6 6 0 peak 11861 weight 0.1000E+01 volume 13.17580 ppm1 7.860 ppm2 3.336 >>ASSI { 11871} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 11871 weight 0.1000E+01 volume 16.69900 ppm1 7.863 ppm2 2.361 >>ASSI { 11881} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HG11 )) >> 6 6 0 peak 11881 weight 0.1000E+01 volume 44.48280 ppm1 7.860 ppm2 1.708 >>ASSI { 11891} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 11891 weight 0.1000E+01 volume 21.77360 ppm1 7.859 ppm2 1.502 >>ASSI { 11901} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 11901 weight 0.1000E+01 volume 38.15820 ppm1 7.859 ppm2 1.304 >>ASSI { 11911} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 11911 weight 0.1000E+01 volume 26.87980 ppm1 7.864 ppm2 0.990 >>ASSI { 11921} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HG12 )) >> 6 6 0 peak 11921 weight 0.1000E+01 volume 38.99100 ppm1 7.862 ppm2 0.642 >>ASSI { 11931} >> (( segid "PROT" and resid 46 and name HN )) >> (( segid "PROT" and resid 46 and name HD1# )) >> 6 6 0 peak 11931 weight 0.1000E+01 volume 43.28800 ppm1 7.863 ppm2 0.401 >>ASSI { 11941} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 28 and name HN )) >> 6 6 0 peak 11941 weight 0.1000E+01 volume 16.53100 ppm1 8.259 ppm2 7.297 >>ASSI { 11951} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 54 and name HB2 )) >> 6 6 0 peak 11951 weight 0.1000E+01 volume 4.14670 ppm1 6.900 ppm2 1.669 >>ASSI { 11961} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 54 and name HB1 )) >> 6 6 0 peak 11961 weight 0.1000E+01 volume 8.87410 ppm1 6.897 ppm2 1.819 >>ASSI { 11971} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 55 and name HB1 )) >> 6 6 0 peak 11971 weight 0.1000E+01 volume 59.54060 ppm1 6.900 ppm2 2.746 >>ASSI { 11981} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 44 and name HD2# )) >> 6 6 0 peak 11981 weight 0.1000E+01 volume 72.30930 ppm1 7.546 ppm2 0.483 >>ASSI { 11991} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 43 and name HD2# )) >> 6 6 0 peak 11991 weight 0.1000E+01 volume 23.20160 ppm1 7.542 ppm2 0.831 >>ASSI { 12001} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 44 and name HB1 )) >> 6 6 0 peak 12001 weight 0.1000E+01 volume 41.06610 ppm1 7.545 ppm2 1.311 >>ASSI { 12011} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 44 and name HG )) >> 6 6 0 peak 12011 weight 0.1000E+01 volume 91.49620 ppm1 7.545 ppm2 1.506 >>ASSI { 12021} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 44 and name HA )) >> 6 6 0 peak 12021 weight 0.1000E+01 volume 49.01320 ppm1 7.547 ppm2 4.106 >>ASSI { 12031} >> (( segid "PROT" and resid 28 and name HE22 )) >> (( segid "PROT" and resid 28 and name HB2 )) >> 6 6 0 peak 12031 weight 0.1000E+01 volume 16.77490 ppm1 6.997 ppm2 2.041 >>ASSI { 12051} >> (( segid "PROT" and resid 28 and name HE22 )) >> (( segid "PROT" and resid 28 and name HG1 )) >> 6 6 0 peak 12051 weight 0.1000E+01 volume 15.34810 ppm1 6.993 ppm2 2.814 >>ASSI { 12061} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 12061 weight 0.1000E+01 volume 13.77060 ppm1 8.320 ppm2 0.571 >>ASSI { 12071} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 12071 weight 0.1000E+01 volume 66.28370 ppm1 8.325 ppm2 1.018 >>ASSI { 12081} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HG )) >> 6 6 0 peak 12081 weight 0.1000E+01 volume 11.04250 ppm1 8.325 ppm2 1.431 >>ASSI { 12091} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HB2 )) >> 6 6 0 peak 12091 weight 0.1000E+01 volume 31.98260 ppm1 8.324 ppm2 1.858 >>ASSI { 12101} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 12101 weight 0.1000E+01 volume 21.56650 ppm1 8.321 ppm2 2.155 >>ASSI { 12111} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 12111 weight 0.1000E+01 volume 16.96760 ppm1 8.324 ppm2 2.989 >>ASSI { 12121} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 91 and name HB1 )) >> 6 6 0 peak 12121 weight 0.1000E+01 volume 17.70850 ppm1 8.321 ppm2 3.077 >>ASSI { 12131} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 12131 weight 0.1000E+01 volume 40.24810 ppm1 8.323 ppm2 4.004 >>ASSI { 12141} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HA )) >> 6 6 0 peak 12141 weight 0.1000E+01 volume 39.38600 ppm1 8.319 ppm2 4.413 >>ASSI { 12151} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 12151 weight 0.1000E+01 volume 34.36250 ppm1 8.324 ppm2 6.971 >>ASSI { 12161} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 92 and name HN )) >> 6 6 0 peak 12161 weight 0.1000E+01 volume 34.28010 ppm1 8.325 ppm2 7.633 >>ASSI { 12171} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 90 and name HN )) >> 6 6 0 peak 12171 weight 0.1000E+01 volume 36.10900 ppm1 8.323 ppm2 8.120 >>ASSI { 12281} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 12281 weight 0.1000E+01 volume 3.58770 ppm1 8.432 ppm2 5.551 >>ASSI { 12291} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 12291 weight 0.1000E+01 volume 3.23460 ppm1 7.631 ppm2 5.555 >>ASSI { 12301} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 52 and name HN )) >> 6 6 0 peak 12301 weight 0.1000E+01 volume 12.55810 ppm1 8.510 ppm2 7.194 >>ASSI { 12311} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 69 and name HN )) >> 6 6 0 peak 12311 weight 0.1000E+01 volume 9.70930 ppm1 8.113 ppm2 7.435 >>ASSI { 12321} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 71 and name HB2 )) >> 6 6 0 peak 12321 weight 0.1000E+01 volume 20.74590 ppm1 8.115 ppm2 2.688 >>ASSI { 12331} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 72 and name HB2 )) >> 6 6 0 peak 12331 weight 0.1000E+01 volume 15.87600 ppm1 8.904 ppm2 2.148 >>ASSI { 12341} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 12341 weight 0.1000E+01 volume 13.45020 ppm1 7.480 ppm2 3.102 >>ASSI { 12351} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 12351 weight 0.1000E+01 volume 4.36470 ppm1 7.485 ppm2 2.932 >>ASSI { 12361} >> (( segid "PROT" and resid 101 and name HN )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 12361 weight 0.1000E+01 volume 12.64470 ppm1 9.172 ppm2 2.581 >>ASSI { 12371} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 12371 weight 0.1000E+01 volume 22.35740 ppm1 7.634 ppm2 4.658 >>ASSI { 12381} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 32 and name HA )) >> 6 6 0 peak 12381 weight 0.1000E+01 volume 6.39740 ppm1 7.166 ppm2 4.367 >>ASSI { 12391} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 12391 weight 0.1000E+01 volume 7.92450 ppm1 8.662 ppm2 7.009 >>ASSI { 12401} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 90 and name HN )) >> 6 6 0 peak 12401 weight 0.1000E+01 volume 37.73240 ppm1 8.662 ppm2 8.119 >>ASSI { 12411} >> (( segid "PROT" and resid 8 and name HN )) >> (( segid "PROT" and resid 9 and name HD1 )) >> 6 6 0 peak 12411 weight 0.1000E+01 volume 12.34900 ppm1 8.029 ppm2 7.360 >>ASSI { 12421} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 12421 weight 0.1000E+01 volume 6.48810 ppm1 8.936 ppm2 3.787 >>ASSI { 12431} >> (( segid "PROT" and resid 9 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 12431 weight 0.1000E+01 volume 14.69920 ppm1 8.934 ppm2 0.360 >>ASSI { 12441} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 12441 weight 0.1000E+01 volume 5.52480 ppm1 9.217 ppm2 0.299 >>ASSI { 12451} >> (( segid "PROT" and resid 10 and name HN )) >> (( segid "PROT" and resid 11 and name HA )) >> 6 6 0 peak 12451 weight 0.1000E+01 volume 8.78970 ppm1 9.225 ppm2 4.260 >>ASSI { 12461} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 15 and name HN )) >> 6 6 0 peak 12461 weight 0.1000E+01 volume 16.29070 ppm1 7.205 ppm2 8.160 >>ASSI { 12471} >> (( segid "PROT" and resid 13 and name HN )) >> (( segid "PROT" and resid 15 and name HB1 )) >> 6 6 0 peak 12471 weight 0.1000E+01 volume 15.62900 ppm1 7.205 ppm2 1.852 >>ASSI { 12481} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 12481 weight 0.1000E+01 volume 6.40910 ppm1 7.855 ppm2 3.687 >>ASSI { 12491} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 92 and name HN )) >> 6 6 0 peak 12491 weight 0.1000E+01 volume 10.99870 ppm1 8.122 ppm2 7.632 >>ASSI { 12501} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 88 and name HN )) >> 6 6 0 peak 12501 weight 0.1000E+01 volume 4.82190 ppm1 8.121 ppm2 7.309 >>ASSI { 12511} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 12511 weight 0.1000E+01 volume 8.06790 ppm1 8.120 ppm2 6.983 >>ASSI { 12521} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 89 and name HB2 )) >> 6 6 0 peak 12521 weight 0.1000E+01 volume 27.55800 ppm1 8.113 ppm2 3.118 >>ASSI { 12531} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 12531 weight 0.1000E+01 volume 28.09620 ppm1 8.112 ppm2 3.325 >>ASSI { 12541} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 91 and name HB2 )) >> 6 6 0 peak 12541 weight 0.1000E+01 volume 5.30170 ppm1 8.113 ppm2 2.965 >>ASSI { 12551} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 89 and name HA )) >> 6 6 0 peak 12551 weight 0.1000E+01 volume 27.45230 ppm1 8.120 ppm2 4.755 >>ASSI { 12561} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 12561 weight 0.1000E+01 volume 10.64310 ppm1 8.149 ppm2 3.940 >>ASSI { 12571} >> (( segid "PROT" and resid 15 and name HN )) >> (( segid "PROT" and resid 14 and name HD1# )) >> 6 6 0 peak 12571 weight 0.1000E+01 volume 14.67780 ppm1 8.147 ppm2 0.340 >>ASSI { 12591} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 12591 weight 0.1000E+01 volume 13.60430 ppm1 7.784 ppm2 3.802 >>ASSI { 12601} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 15 and name HN )) >> 6 6 0 peak 12601 weight 0.1000E+01 volume 9.04650 ppm1 7.442 ppm2 8.134 >>ASSI { 12611} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 12611 weight 0.1000E+01 volume 9.07270 ppm1 7.444 ppm2 3.670 >>ASSI { 12621} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 20 and name HD2 )) >> 6 6 0 peak 12621 weight 0.1000E+01 volume 4.95760 ppm1 7.440 ppm2 3.318 >>ASSI { 12641} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 18 and name HG )) >> 6 6 0 peak 12641 weight 0.1000E+01 volume 16.84070 ppm1 7.446 ppm2 1.564 >>ASSI { 12661} >> (( segid "PROT" and resid 17 and name HN )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 12661 weight 0.1000E+01 volume 13.83380 ppm1 7.446 ppm2 0.516 >>ASSI { 12671} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 16 and name HN )) >> 6 6 0 peak 12671 weight 0.1000E+01 volume 8.27460 ppm1 7.993 ppm2 7.808 >>ASSI { 12681} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 14 and name HA )) >> 6 6 0 peak 12681 weight 0.1000E+01 volume 12.97530 ppm1 7.990 ppm2 3.801 >>ASSI { 12691} >> (( segid "PROT" and resid 18 and name HN )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 12691 weight 0.1000E+01 volume 16.33060 ppm1 7.981 ppm2 3.665 >>ASSI { 12701} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 19 and name HG2 )) >> 6 6 0 peak 12701 weight 0.1000E+01 volume 28.43160 ppm1 8.674 ppm2 2.565 >>ASSI { 12711} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 19 and name HE# )) >> 6 6 0 peak 12711 weight 0.1000E+01 volume 16.48280 ppm1 8.679 ppm2 2.024 >>ASSI { 12721} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 20 and name HB2 )) >> 6 6 0 peak 12721 weight 0.1000E+01 volume 2.30650 ppm1 8.678 ppm2 1.799 >>ASSI { 12731} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 77 and name HE1 )) >> 6 6 0 peak 12731 weight 0.1000E+01 volume 6.93850 ppm1 7.486 ppm2 6.607 >>ASSI { 12761} >> (( segid "PROT" and resid 21 and name HN )) >> (( segid "PROT" and resid 18 and name HD2# )) >> 6 6 0 peak 12761 weight 0.1000E+01 volume 8.89470 ppm1 7.482 ppm2 0.521 >>ASSI { 12771} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 21 and name HA )) >> 6 6 0 peak 12771 weight 0.1000E+01 volume 6.07990 ppm1 7.043 ppm2 4.183 >>ASSI { 12781} >> (( segid "PROT" and resid 22 and name HN )) >> (( segid "PROT" and resid 19 and name HA )) >> 6 6 0 peak 12781 weight 0.1000E+01 volume 8.44910 ppm1 7.047 ppm2 4.415 >>ASSI { 12801} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12801 weight 0.1000E+01 volume 12.46310 ppm1 8.821 ppm2 0.561 >>ASSI { 12811} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 59 and name HB2 )) >> 6 6 0 peak 12811 weight 0.1000E+01 volume 11.02370 ppm1 8.816 ppm2 1.317 >>ASSI { 12821} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 59 and name HG )) >> 6 6 0 peak 12821 weight 0.1000E+01 volume 30.07650 ppm1 8.818 ppm2 1.552 >>ASSI { 12831} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 58 and name HB2 )) >> 6 6 0 peak 12831 weight 0.1000E+01 volume 7.24590 ppm1 8.819 ppm2 2.292 >>ASSI { 12841} >> (( segid "PROT" and resid 23 and name HN )) >> (( segid "PROT" and resid 77 and name HH )) >> 6 6 0 peak 12841 weight 0.1000E+01 volume 3.84920 ppm1 8.759 ppm2 5.853 >>ASSI { 12851} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 64 and name HN )) >> 6 6 0 peak 12851 weight 0.1000E+01 volume 25.45760 ppm1 8.772 ppm2 7.815 >>ASSI { 12861} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 65 and name HN )) >> 6 6 0 peak 12861 weight 0.1000E+01 volume 7.59730 ppm1 8.771 ppm2 8.495 >>ASSI { 12871} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 26 and name HB1 )) >> 6 6 0 peak 12871 weight 0.1000E+01 volume 6.98630 ppm1 7.585 ppm2 2.926 >>ASSI { 12881} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 12881 weight 0.1000E+01 volume 10.71370 ppm1 7.580 ppm2 4.301 >>ASSI { 12891} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 22 and name HN )) >> 6 6 0 peak 12891 weight 0.1000E+01 volume 7.27710 ppm1 7.577 ppm2 7.027 >>ASSI { 12901} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 26 and name HN )) >> 6 6 0 peak 12901 weight 0.1000E+01 volume 19.34680 ppm1 7.580 ppm2 7.873 >>ASSI { 12911} >> (( segid "PROT" and resid 24 and name HN )) >> (( segid "PROT" and resid 25 and name HD1# )) >> 6 6 0 peak 12911 weight 0.1000E+01 volume 6.02950 ppm1 7.585 ppm2 0.656 >>ASSI { 12921} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 25 and name HG )) >> 6 6 0 peak 12921 weight 0.1000E+01 volume 44.98670 ppm1 7.270 ppm2 2.394 >>ASSI { 12931} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 23 and name HG2 )) >> 6 6 0 peak 12931 weight 0.1000E+01 volume 12.26460 ppm1 7.273 ppm2 2.076 >>ASSI { 12941} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 22 and name HA )) >> 6 6 0 peak 12941 weight 0.1000E+01 volume 7.55890 ppm1 7.275 ppm2 4.315 >>ASSI { 12951} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 24 and name HA )) >> 6 6 0 peak 12951 weight 0.1000E+01 volume 33.35600 ppm1 7.267 ppm2 3.990 >>ASSI { 12961} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 26 and name HA )) >> 6 6 0 peak 12961 weight 0.1000E+01 volume 6.21720 ppm1 7.264 ppm2 3.733 >>ASSI { 12971} >> (( segid "PROT" and resid 25 and name HN )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 12971 weight 0.1000E+01 volume 5.17480 ppm1 7.272 ppm2 0.563 >>ASSI { 12981} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 27 and name HB2 )) >> 6 6 0 peak 12981 weight 0.1000E+01 volume 16.58400 ppm1 7.896 ppm2 1.851 >>ASSI { 12991} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 27 and name HG1 )) >> 6 6 0 peak 12991 weight 0.1000E+01 volume 7.78540 ppm1 7.890 ppm2 1.703 >>ASSI { 13001} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 24 and name HN )) >> 6 6 0 peak 13001 weight 0.1000E+01 volume 7.48560 ppm1 7.898 ppm2 7.584 >>ASSI { 13011} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 23 and name HN )) >> 6 6 0 peak 13011 weight 0.1000E+01 volume 2.81260 ppm1 7.894 ppm2 8.775 >>ASSI { 13021} >> (( segid "PROT" and resid 26 and name HN )) >> (( segid "PROT" and resid 26 and name HE1 )) >> 6 6 0 peak 13021 weight 0.1000E+01 volume 4.99640 ppm1 7.901 ppm2 6.641 >>ASSI { 13041} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 24 and name HB# )) >> 6 6 0 peak 13041 weight 0.1000E+01 volume 4.39860 ppm1 7.833 ppm2 1.414 >>ASSI { 13061} >> (( segid "PROT" and resid 27 and name HN )) >> (( segid "PROT" and resid 25 and name HD2# )) >> 6 6 0 peak 13061 weight 0.1000E+01 volume 7.69220 ppm1 7.833 ppm2 0.869 >>ASSI { 13071} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 13071 weight 0.1000E+01 volume 11.63140 ppm1 7.295 ppm2 6.996 >>ASSI { 13081} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 32 and name HB1 )) >> 6 6 0 peak 13081 weight 0.1000E+01 volume 9.73530 ppm1 7.290 ppm2 4.406 >>ASSI { 13091} >> (( segid "PROT" and resid 28 and name HN )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 13091 weight 0.1000E+01 volume 20.42700 ppm1 7.294 ppm2 4.041 >>ASSI { 13101} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 84 and name HE# )) >> 6 6 0 peak 13101 weight 0.1000E+01 volume 34.99020 ppm1 7.320 ppm2 1.221 >>ASSI { 13111} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 82 and name HB2 )) >> 6 6 0 peak 13111 weight 0.1000E+01 volume 10.49150 ppm1 7.322 ppm2 3.079 >>ASSI { 13121} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 84 and name HA )) >> 6 6 0 peak 13121 weight 0.1000E+01 volume 38.24870 ppm1 7.317 ppm2 3.700 >>ASSI { 13131} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 80 and name HA )) >> 6 6 0 peak 13131 weight 0.1000E+01 volume 7.36120 ppm1 7.319 ppm2 4.580 >>ASSI { 13141} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 83 and name HN )) >> 6 6 0 peak 13141 weight 0.1000E+01 volume 16.32750 ppm1 7.320 ppm2 8.070 >>ASSI { 13151} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 85 and name HN )) >> 6 6 0 peak 13151 weight 0.1000E+01 volume 18.10710 ppm1 7.325 ppm2 7.454 >>ASSI { 13161} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 32 and name HN )) >> 6 6 0 peak 13161 weight 0.1000E+01 volume 14.86710 ppm1 8.260 ppm2 7.994 >>ASSI { 13171} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 26 and name HD1 )) >> 6 6 0 peak 13171 weight 0.1000E+01 volume 6.33340 ppm1 8.252 ppm2 7.008 >>ASSI { 13181} >> (( segid "PROT" and resid 29 and name HN )) >> (( segid "PROT" and resid 31 and name HN )) >> 6 6 0 peak 13181 weight 0.1000E+01 volume 6.54450 ppm1 8.258 ppm2 9.485 >>ASSI { 13191} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 13191 weight 0.1000E+01 volume 6.01720 ppm1 8.012 ppm2 7.432 >>ASSI { 13201} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 29 and name HA )) >> 6 6 0 peak 13201 weight 0.1000E+01 volume 55.04580 ppm1 8.011 ppm2 4.735 >>ASSI { 13211} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 29 and name HB2 )) >> 6 6 0 peak 13211 weight 0.1000E+01 volume 13.73660 ppm1 8.009 ppm2 2.298 >>ASSI { 13221} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 31 and name HA )) >> 6 6 0 peak 13221 weight 0.1000E+01 volume 6.28910 ppm1 8.008 ppm2 2.596 >>ASSI { 13231} >> (( segid "PROT" and resid 32 and name HN )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 13231 weight 0.1000E+01 volume 10.03900 ppm1 8.008 ppm2 0.863 >>ASSI { 13241} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 29 and name HN )) >> 6 6 0 peak 13241 weight 0.1000E+01 volume 8.83170 ppm1 9.475 ppm2 8.257 >>ASSI { 13251} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 32 and name HB1 )) >> 6 6 0 peak 13251 weight 0.1000E+01 volume 6.38650 ppm1 9.475 ppm2 4.398 >>ASSI { 13261} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 13261 weight 0.1000E+01 volume 5.21250 ppm1 9.471 ppm2 4.129 >>ASSI { 13271} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 101 and name HA )) >> 6 6 0 peak 13271 weight 0.1000E+01 volume 9.61760 ppm1 9.473 ppm2 4.481 >>ASSI { 13281} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 13281 weight 0.1000E+01 volume 6.55920 ppm1 9.480 ppm2 3.947 >>ASSI { 13291} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 30 and name HG1 )) >> 6 6 0 peak 13291 weight 0.1000E+01 volume 16.44790 ppm1 9.474 ppm2 1.933 >>ASSI { 13301} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 105 and name HD1# )) >> 6 6 0 peak 13301 weight 0.1000E+01 volume 6.55860 ppm1 9.475 ppm2 0.373 >>ASSI { 13311} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 34 and name HD1 )) >> 6 6 0 peak 13311 weight 0.1000E+01 volume 18.95310 ppm1 7.989 ppm2 3.826 >>ASSI { 13321} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 13321 weight 0.1000E+01 volume 8.87490 ppm1 7.989 ppm2 7.261 >>ASSI { 13331} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 13331 weight 0.1000E+01 volume 6.76100 ppm1 7.989 ppm2 2.592 >>ASSI { 13341} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 34 and name HG1 )) >> 6 6 0 peak 13341 weight 0.1000E+01 volume 23.65910 ppm1 7.991 ppm2 1.915 >>ASSI { 13351} >> (( segid "PROT" and resid 33 and name HN )) >> (( segid "PROT" and resid 33 and name HB2 )) >> 6 6 0 peak 13351 weight 0.1000E+01 volume 15.20420 ppm1 7.989 ppm2 1.599 >>ASSI { 13361} >> (( segid "PROT" and resid 97 and name HN )) >> (( segid "PROT" and resid 96 and name HN )) >> 6 6 0 peak 13361 weight 0.1000E+01 volume 2.68120 ppm1 8.820 ppm2 7.845 >>ASSI { 13371} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 59 and name HN )) >> 6 6 0 peak 13371 weight 0.1000E+01 volume 12.71060 ppm1 7.586 ppm2 8.822 >>ASSI { 13381} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 55 and name HN )) >> 6 6 0 peak 13381 weight 0.1000E+01 volume 23.35380 ppm1 7.610 ppm2 8.589 >>ASSI { 13391} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 117 and name HN )) >> 6 6 0 peak 13391 weight 0.1000E+01 volume 30.35880 ppm1 7.617 ppm2 8.458 >>ASSI { 13401} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 36 and name HN )) >> 6 6 0 peak 13401 weight 0.1000E+01 volume 59.85390 ppm1 7.583 ppm2 7.170 >>ASSI { 13411} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 13411 weight 0.1000E+01 volume 46.54260 ppm1 7.614 ppm2 4.304 >>ASSI { 13421} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 13421 weight 0.1000E+01 volume 18.68780 ppm1 7.610 ppm2 0.777 >>ASSI { 13431} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 59 and name HD1# )) >> 6 6 0 peak 13431 weight 0.1000E+01 volume 5.12560 ppm1 7.581 ppm2 0.193 >>ASSI { 13441} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 39 and name HG1# )) >> 6 6 0 peak 13441 weight 0.1000E+01 volume 3.45500 ppm1 7.578 ppm2 0.376 >>ASSI { 13451} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 36 and name HG2 )) >> 6 6 0 peak 13451 weight 0.1000E+01 volume 30.08710 ppm1 7.580 ppm2 1.337 >>ASSI { 13461} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 13461 weight 0.1000E+01 volume 10.82870 ppm1 7.583 ppm2 3.076 >>ASSI { 13471} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 13471 weight 0.1000E+01 volume 11.13480 ppm1 7.573 ppm2 3.226 >>ASSI { 13481} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 38 and name HD2 )) >> 6 6 0 peak 13481 weight 0.1000E+01 volume 14.78770 ppm1 7.585 ppm2 3.462 >>ASSI { 13491} >> (( segid "PROT" and resid 37 and name HN )) >> (( segid "PROT" and resid 37 and name HA )) >> 6 6 0 peak 13491 weight 0.1000E+01 volume 113.65130 ppm1 7.583 ppm2 4.857 >>ASSI { 13501} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 13501 weight 0.1000E+01 volume 10.57400 ppm1 7.609 ppm2 5.243 >>ASSI { 13511} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 13511 weight 0.1000E+01 volume 4.11870 ppm1 8.444 ppm2 6.328 >>ASSI { 13521} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 13521 weight 0.1000E+01 volume 3.69540 ppm1 8.450 ppm2 3.791 >>ASSI { 13531} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 38 and name HG1 )) >> 6 6 0 peak 13531 weight 0.1000E+01 volume 9.94330 ppm1 8.449 ppm2 1.991 >>ASSI { 13541} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 38 and name HB2 )) >> 6 6 0 peak 13541 weight 0.1000E+01 volume 7.15640 ppm1 8.443 ppm2 1.624 >>ASSI { 13551} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 39 and name HN )) >> 6 6 0 peak 13551 weight 0.1000E+01 volume 6.03940 ppm1 7.276 ppm2 8.460 >>ASSI { 13561} >> (( segid "PROT" and resid 40 and name HN )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 13561 weight 0.1000E+01 volume 35.08500 ppm1 7.279 ppm2 0.480 >>ASSI { 13571} >> (( segid "PROT" and resid 42 and name HN )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 13571 weight 0.1000E+01 volume 45.44350 ppm1 7.756 ppm2 3.661 >>ASSI { 13581} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 41 and name HD1 )) >> 6 6 0 peak 13581 weight 0.1000E+01 volume 8.42150 ppm1 7.415 ppm2 3.768 >>ASSI { 13591} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 13591 weight 0.1000E+01 volume 7.15280 ppm1 7.416 ppm2 3.651 >>ASSI { 13601} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 44 and name HD1# )) >> 6 6 0 peak 13601 weight 0.1000E+01 volume 8.85890 ppm1 7.413 ppm2 0.478 >>ASSI { 13611} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 13611 weight 0.1000E+01 volume 28.86360 ppm1 7.383 ppm2 3.647 >>ASSI { 13621} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 46 and name HA )) >> 6 6 0 peak 13621 weight 0.1000E+01 volume 6.30850 ppm1 7.389 ppm2 4.968 >>ASSI { 13631} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 44 and name HN )) >> 6 6 0 peak 13631 weight 0.1000E+01 volume 46.25150 ppm1 7.386 ppm2 7.537 >>ASSI { 13641} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 45 and name HN )) >> 6 6 0 peak 13641 weight 0.1000E+01 volume 77.60020 ppm1 7.546 ppm2 7.415 >>ASSI { 13651} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 42 and name HN )) >> 6 6 0 peak 13651 weight 0.1000E+01 volume 2.73850 ppm1 7.545 ppm2 7.754 >>ASSI { 13661} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 43 and name HA )) >> 6 6 0 peak 13661 weight 0.1000E+01 volume 24.92960 ppm1 7.549 ppm2 4.015 >>ASSI { 13671} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 41 and name HA )) >> 6 6 0 peak 13671 weight 0.1000E+01 volume 13.46380 ppm1 7.548 ppm2 3.641 >>ASSI { 13681} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 46 and name HG2# )) >> 6 6 0 peak 13681 weight 0.1000E+01 volume 9.89770 ppm1 7.545 ppm2 1.006 >>ASSI { 13691} >> (( segid "PROT" and resid 44 and name HN )) >> (( segid "PROT" and resid 46 and name HB )) >> 6 6 0 peak 13691 weight 0.1000E+01 volume 16.98600 ppm1 7.544 ppm2 2.357 >>ASSI { 13701} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HD2 )) >> 6 6 0 peak 13701 weight 0.1000E+01 volume 16.80400 ppm1 8.425 ppm2 3.325 >>ASSI { 13721} >> (( segid "PROT" and resid 48 and name HN )) >> (( segid "PROT" and resid 47 and name HD1 )) >> 6 6 0 peak 13721 weight 0.1000E+01 volume 46.83700 ppm1 8.431 ppm2 3.748 >>ASSI { 13741} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 51 and name HN )) >> 6 6 0 peak 13741 weight 0.1000E+01 volume 9.66430 ppm1 7.997 ppm2 7.637 >>ASSI { 13761} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 48 and name HA )) >> 6 6 0 peak 13761 weight 0.1000E+01 volume 5.32430 ppm1 8.501 ppm2 4.670 >>ASSI { 13771} >> (( segid "PROT" and resid 50 and name HN )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 13771 weight 0.1000E+01 volume 6.44820 ppm1 8.511 ppm2 6.329 >>ASSI { 13781} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 49 and name HB2 )) >> 6 6 0 peak 13781 weight 0.1000E+01 volume 9.20430 ppm1 7.635 ppm2 2.061 >>ASSI { 13791} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 13791 weight 0.1000E+01 volume 4.81110 ppm1 7.633 ppm2 3.711 >>ASSI { 13801} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 53 and name HN )) >> 6 6 0 peak 13801 weight 0.1000E+01 volume 25.65370 ppm1 7.637 ppm2 8.616 >>ASSI { 13811} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 13811 weight 0.1000E+01 volume 12.62790 ppm1 7.635 ppm2 7.423 >>ASSI { 13821} >> (( segid "PROT" and resid 51 and name HN )) >> (( segid "PROT" and resid 49 and name HN )) >> 6 6 0 peak 13821 weight 0.1000E+01 volume 6.14920 ppm1 7.635 ppm2 8.006 >>ASSI { 13831} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 13831 weight 0.1000E+01 volume 6.38120 ppm1 7.181 ppm2 7.415 >>ASSI { 13841} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 13841 weight 0.1000E+01 volume 9.11680 ppm1 7.186 ppm2 6.979 >>ASSI { 13851} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 53 and name HA )) >> 6 6 0 peak 13851 weight 0.1000E+01 volume 5.87910 ppm1 7.183 ppm2 3.560 >>ASSI { 13861} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 49 and name HA )) >> 6 6 0 peak 13861 weight 0.1000E+01 volume 7.16460 ppm1 7.179 ppm2 3.710 >>ASSI { 13871} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 13871 weight 0.1000E+01 volume 3.79890 ppm1 8.614 ppm2 7.429 >>ASSI { 13881} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 13881 weight 0.1000E+01 volume 8.23770 ppm1 8.610 ppm2 6.976 >>ASSI { 13891} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 13891 weight 0.1000E+01 volume 6.74980 ppm1 8.616 ppm2 6.807 >>ASSI { 13901} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 51 and name HA )) >> 6 6 0 peak 13901 weight 0.1000E+01 volume 5.69230 ppm1 8.622 ppm2 4.485 >>ASSI { 13911} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 51 and name HB2 )) >> 6 6 0 peak 13911 weight 0.1000E+01 volume 6.97660 ppm1 8.618 ppm2 2.730 >>ASSI { 13931} >> (( segid "PROT" and resid 53 and name HN )) >> (( segid "PROT" and resid 52 and name HD1# )) >> 6 6 0 peak 13931 weight 0.1000E+01 volume 4.19160 ppm1 8.615 ppm2 0.910 >>ASSI { 13941} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 13941 weight 0.1000E+01 volume 6.17000 ppm1 8.589 ppm2 4.079 >>ASSI { 13951} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 59 and name HN )) >> 6 6 0 peak 13951 weight 0.1000E+01 volume 2.68420 ppm1 7.265 ppm2 8.786 >>ASSI { 13961} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 62 and name HN )) >> 6 6 0 peak 13961 weight 0.1000E+01 volume 11.47940 ppm1 7.264 ppm2 7.516 >>ASSI { 13971} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 58 and name HB1 )) >> 6 6 0 peak 13971 weight 0.1000E+01 volume 12.66540 ppm1 7.267 ppm2 2.613 >>ASSI { 13981} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 62 and name HN )) >> 6 6 0 peak 13981 weight 0.1000E+01 volume 6.87900 ppm1 8.233 ppm2 7.558 >>ASSI { 13991} >> (( segid "PROT" and resid 60 and name HN )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 13991 weight 0.1000E+01 volume 6.26290 ppm1 8.239 ppm2 0.562 >>ASSI { 14001} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 93 and name HA )) >> 6 6 0 peak 14001 weight 0.1000E+01 volume 9.78280 ppm1 6.879 ppm2 4.306 >>ASSI { 14011} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 96 and name HN )) >> 6 6 0 peak 14011 weight 0.1000E+01 volume 11.27670 ppm1 6.878 ppm2 7.867 >>ASSI { 14021} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 94 and name HN )) >> 6 6 0 peak 14021 weight 0.1000E+01 volume 10.58330 ppm1 6.877 ppm2 8.825 >>ASSI { 14031} >> (( segid "PROT" and resid 95 and name HN )) >> (( segid "PROT" and resid 93 and name HB1 )) >> 6 6 0 peak 14031 weight 0.1000E+01 volume 8.86100 ppm1 6.883 ppm2 1.904 >>ASSI { 14041} >> (( segid "PROT" and resid 62 and name HN )) >> (( segid "PROT" and resid 59 and name HD2# )) >> 6 6 0 peak 14041 weight 0.1000E+01 volume 4.66940 ppm1 7.526 ppm2 0.558 >>ASSI { 14051} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 14051 weight 0.1000E+01 volume 23.80700 ppm1 8.778 ppm2 3.931 >>ASSI { 14061} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HG12 )) >> 6 6 0 peak 14061 weight 0.1000E+01 volume 5.60010 ppm1 8.774 ppm2 0.871 >>ASSI { 14071} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 62 and name HD1# )) >> 6 6 0 peak 14071 weight 0.1000E+01 volume 6.59170 ppm1 8.775 ppm2 0.354 >>ASSI { 14081} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 14081 weight 0.1000E+01 volume 6.32020 ppm1 8.479 ppm2 6.817 >>ASSI { 14091} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HE1 )) >> 6 6 0 peak 14091 weight 0.1000E+01 volume 8.05560 ppm1 8.466 ppm2 2.385 >>ASSI { 14101} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 65 and name HB1 )) >> 6 6 0 peak 14101 weight 0.1000E+01 volume 5.04130 ppm1 8.468 ppm2 2.245 >>ASSI { 14111} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 62 and name HA )) >> 6 6 0 peak 14111 weight 0.1000E+01 volume 9.55920 ppm1 8.562 ppm2 3.926 >>ASSI { 14121} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 14121 weight 0.1000E+01 volume 7.00540 ppm1 8.563 ppm2 2.860 >>ASSI { 14131} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 14131 weight 0.1000E+01 volume 4.34190 ppm1 8.565 ppm2 2.598 >>ASSI { 14141} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 65 and name HB1 )) >> 6 6 0 peak 14141 weight 0.1000E+01 volume 4.25040 ppm1 8.566 ppm2 2.214 >>ASSI { 14151} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 65 and name HD1 )) >> 6 6 0 peak 14151 weight 0.1000E+01 volume 11.58320 ppm1 8.560 ppm2 1.534 >>ASSI { 14161} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 66 and name HD1# )) >> 6 6 0 peak 14161 weight 0.1000E+01 volume 11.54850 ppm1 9.133 ppm2 0.757 >>ASSI { 14171} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 70 and name HN )) >> 6 6 0 peak 14171 weight 0.1000E+01 volume 12.43350 ppm1 7.750 ppm2 8.384 >>ASSI { 14181} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 66 and name HN )) >> 6 6 0 peak 14181 weight 0.1000E+01 volume 5.80900 ppm1 7.754 ppm2 8.568 >>ASSI { 14191} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 71 and name HD1 )) >> 6 6 0 peak 14191 weight 0.1000E+01 volume 8.14590 ppm1 7.428 ppm2 6.838 >>ASSI { 14201} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 67 and name HB1 )) >> 6 6 0 peak 14201 weight 0.1000E+01 volume 3.90390 ppm1 7.432 ppm2 2.845 >>ASSI { 14211} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 67 and name HB2 )) >> 6 6 0 peak 14211 weight 0.1000E+01 volume 5.93190 ppm1 7.435 ppm2 2.629 >>ASSI { 14221} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 14221 weight 0.1000E+01 volume 6.24910 ppm1 7.429 ppm2 2.021 >>ASSI { 14241} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 70 and name HB2 )) >> 6 6 0 peak 14241 weight 0.1000E+01 volume 7.46310 ppm1 7.433 ppm2 1.077 >>ASSI { 14251} >> (( segid "PROT" and resid 69 and name HN )) >> (( segid "PROT" and resid 66 and name HD2# )) >> 6 6 0 peak 14251 weight 0.1000E+01 volume 8.07420 ppm1 7.438 ppm2 0.865 >>ASSI { 14271} >> (( segid "PROT" and resid 70 and name HN )) >> (( segid "PROT" and resid 71 and name HB1 )) >> 6 6 0 peak 14271 weight 0.1000E+01 volume 8.56320 ppm1 8.381 ppm2 2.756 >>ASSI { 14281} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 72 and name HN )) >> 6 6 0 peak 14281 weight 0.1000E+01 volume 25.82730 ppm1 8.113 ppm2 8.909 >>ASSI { 14291} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 73 and name HN )) >> 6 6 0 peak 14291 weight 0.1000E+01 volume 5.08440 ppm1 8.115 ppm2 7.668 >>ASSI { 14301} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 68 and name HN )) >> 6 6 0 peak 14301 weight 0.1000E+01 volume 2.57240 ppm1 8.114 ppm2 7.768 >>ASSI { 14311} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 71 and name HB2 )) >> 6 6 0 peak 14311 weight 0.1000E+01 volume 11.39080 ppm1 8.904 ppm2 2.677 >>ASSI { 14341} >> (( segid "PROT" and resid 73 and name HN )) >> (( segid "PROT" and resid 14 and name HD2# )) >> 6 6 0 peak 14341 weight 0.1000E+01 volume 5.28850 ppm1 7.663 ppm2 0.291 >>ASSI { 14351} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 75 and name HE1 )) >> 6 6 0 peak 14351 weight 0.1000E+01 volume 7.70940 ppm1 7.910 ppm2 10.301 >>ASSI { 14361} >> (( segid "PROT" and resid 75 and name HN )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 14361 weight 0.1000E+01 volume 69.26160 ppm1 7.916 ppm2 7.494 >>ASSI { 14401} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 73 and name HG1 )) >> 6 6 0 peak 14401 weight 0.1000E+01 volume 7.21460 ppm1 6.940 ppm2 2.429 >>ASSI { 14411} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 76 and name HB2 )) >> 6 6 0 peak 14411 weight 0.1000E+01 volume 24.19360 ppm1 6.943 ppm2 2.097 >>ASSI { 14421} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 79 and name HB1 )) >> 6 6 0 peak 14421 weight 0.1000E+01 volume 5.85630 ppm1 6.937 ppm2 2.854 >>ASSI { 14431} >> (( segid "PROT" and resid 76 and name HN )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 14431 weight 0.1000E+01 volume 5.04750 ppm1 6.944 ppm2 3.524 >>ASSI { 14441} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 78 and name HA )) >> 6 6 0 peak 14441 weight 0.1000E+01 volume 5.98660 ppm1 6.292 ppm2 3.079 >>ASSI { 14451} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 14451 weight 0.1000E+01 volume 7.69440 ppm1 6.290 ppm2 1.284 >>ASSI { 14461} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 75 and name HN )) >> 6 6 0 peak 14461 weight 0.1000E+01 volume 7.79650 ppm1 6.291 ppm2 7.913 >>ASSI { 14471} >> (( segid "PROT" and resid 77 and name HN )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 14471 weight 0.1000E+01 volume 5.56000 ppm1 6.294 ppm2 7.534 >>ASSI { 14481} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 74 and name HA )) >> 6 6 0 peak 14481 weight 0.1000E+01 volume 7.35510 ppm1 7.331 ppm2 3.777 >>ASSI { 14491} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 14491 weight 0.1000E+01 volume 8.82950 ppm1 7.330 ppm2 6.936 >>ASSI { 14501} >> (( segid "PROT" and resid 78 and name HN )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 14501 weight 0.1000E+01 volume 13.27620 ppm1 7.331 ppm2 7.515 >>ASSI { 14521} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 75 and name HD1 )) >> 6 6 0 peak 14521 weight 0.1000E+01 volume 17.71780 ppm1 8.431 ppm2 7.539 >>ASSI { 14531} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 14531 weight 0.1000E+01 volume 11.37200 ppm1 8.443 ppm2 6.905 >>ASSI { 14541} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 75 and name HB1 )) >> 6 6 0 peak 14541 weight 0.1000E+01 volume 6.73680 ppm1 8.438 ppm2 3.615 >>ASSI { 14551} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 75 and name HB2 )) >> 6 6 0 peak 14551 weight 0.1000E+01 volume 8.10640 ppm1 8.433 ppm2 3.289 >>ASSI { 14571} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 83 and name HB2 )) >> 6 6 0 peak 14571 weight 0.1000E+01 volume 9.20940 ppm1 7.167 ppm2 1.681 >>ASSI { 14581} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 78 and name HB )) >> 6 6 0 peak 14581 weight 0.1000E+01 volume 12.29190 ppm1 7.177 ppm2 2.304 >>ASSI { 14591} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 76 and name HN )) >> 6 6 0 peak 14591 weight 0.1000E+01 volume 10.47590 ppm1 7.166 ppm2 6.878 >>ASSI { 14601} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 14601 weight 0.1000E+01 volume 7.20190 ppm1 7.161 ppm2 7.963 >>ASSI { 14611} >> (( segid "PROT" and resid 81 and name HN )) >> (( segid "PROT" and resid 79 and name HN )) >> 6 6 0 peak 14611 weight 0.1000E+01 volume 3.52100 ppm1 7.416 ppm2 8.425 >>ASSI { 14621} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 80 and name HB1 )) >> 6 6 0 peak 14621 weight 0.1000E+01 volume 22.57080 ppm1 7.944 ppm2 2.821 >>ASSI { 14631} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 14631 weight 0.1000E+01 volume 8.76930 ppm1 7.945 ppm2 6.083 >>ASSI { 14641} >> (( segid "PROT" and resid 82 and name HN )) >> (( segid "PROT" and resid 82 and name HE1 )) >> 6 6 0 peak 14641 weight 0.1000E+01 volume 4.32110 ppm1 7.953 ppm2 10.500 >>ASSI { 14651} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 14651 weight 0.1000E+01 volume 7.44860 ppm1 8.072 ppm2 2.905 >>ASSI { 14661} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 82 and name HA )) >> 6 6 0 peak 14661 weight 0.1000E+01 volume 6.82970 ppm1 8.074 ppm2 4.015 >>ASSI { 14671} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 14671 weight 0.1000E+01 volume 4.60030 ppm1 9.601 ppm2 0.914 >>ASSI { 14681} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 89 and name HE3 )) >> 6 6 0 peak 14681 weight 0.1000E+01 volume 13.46520 ppm1 9.603 ppm2 7.637 >>ASSI { 14691} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 86 and name HD21 )) >> 6 6 0 peak 14691 weight 0.1000E+01 volume 6.41120 ppm1 9.600 ppm2 7.798 >>ASSI { 14701} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 14701 weight 0.1000E+01 volume 9.08830 ppm1 9.599 ppm2 7.909 >>ASSI { 14711} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 89 and name HN )) >> 6 6 0 peak 14711 weight 0.1000E+01 volume 5.25140 ppm1 8.926 ppm2 8.660 >>ASSI { 14721} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 90 and name HN )) >> 6 6 0 peak 14721 weight 0.1000E+01 volume 7.07050 ppm1 8.922 ppm2 8.119 >>ASSI { 14731} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 85 and name HN )) >> 6 6 0 peak 14731 weight 0.1000E+01 volume 11.92790 ppm1 8.924 ppm2 7.495 >>ASSI { 14761} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 83 and name HB1 )) >> 6 6 0 peak 14761 weight 0.1000E+01 volume 13.61540 ppm1 8.922 ppm2 2.205 >>ASSI { 14771} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 83 and name HG )) >> 6 6 0 peak 14771 weight 0.1000E+01 volume 1.36120 ppm1 8.928 ppm2 1.444 >>ASSI { 14781} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 14781 weight 0.1000E+01 volume 10.65570 ppm1 8.926 ppm2 1.027 >>ASSI { 14791} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 98 and name HB )) >> 6 6 0 peak 14791 weight 0.1000E+01 volume 18.61940 ppm1 7.316 ppm2 1.601 >>ASSI { 14801} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 14801 weight 0.1000E+01 volume 31.01370 ppm1 7.316 ppm2 2.567 >>ASSI { 14811} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 14811 weight 0.1000E+01 volume 21.66750 ppm1 7.319 ppm2 3.727 >>ASSI { 14821} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 98 and name HN )) >> 6 6 0 peak 14821 weight 0.1000E+01 volume 26.06540 ppm1 7.318 ppm2 8.053 >>ASSI { 14831} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 100 and name HN )) >> 6 6 0 peak 14831 weight 0.1000E+01 volume 30.06900 ppm1 7.317 ppm2 7.766 >>ASSI { 14841} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 14841 weight 0.1000E+01 volume 28.29010 ppm1 7.318 ppm2 7.117 >>ASSI { 14861} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 101 and name HN )) >> 6 6 0 peak 14861 weight 0.1000E+01 volume 7.15480 ppm1 7.325 ppm2 9.179 >>ASSI { 14871} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 94 and name HA )) >> 6 6 0 peak 14871 weight 0.1000E+01 volume 9.75150 ppm1 7.324 ppm2 2.186 >>ASSI { 14881} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 14881 weight 0.1000E+01 volume 8.83770 ppm1 7.321 ppm2 2.010 >>ASSI { 14891} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 14891 weight 0.1000E+01 volume 6.07940 ppm1 7.308 ppm2 6.087 >>ASSI { 14901} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 92 and name HN )) >> 6 6 0 peak 14901 weight 0.1000E+01 volume 14.21110 ppm1 7.310 ppm2 7.645 >>ASSI { 14911} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 90 and name HD2# )) >> 6 6 0 peak 14911 weight 0.1000E+01 volume 9.98220 ppm1 8.667 ppm2 1.004 >>ASSI { 14921} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 90 and name HB1 )) >> 6 6 0 peak 14921 weight 0.1000E+01 volume 8.45950 ppm1 8.665 ppm2 2.160 >>ASSI { 14931} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 88 and name HA )) >> 6 6 0 peak 14931 weight 0.1000E+01 volume 9.95690 ppm1 8.661 ppm2 4.363 >>ASSI { 14941} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 87 and name HN )) >> 6 6 0 peak 14941 weight 0.1000E+01 volume 13.51450 ppm1 8.664 ppm2 8.927 >>ASSI { 14951} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 91 and name HN )) >> 6 6 0 peak 14951 weight 0.1000E+01 volume 8.14670 ppm1 8.656 ppm2 8.337 >>ASSI { 14961} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 14961 weight 0.1000E+01 volume 8.12900 ppm1 8.328 ppm2 6.810 >>ASSI { 14971} >> (( segid "PROT" and resid 91 and name HN )) >> (( segid "PROT" and resid 92 and name HA )) >> 6 6 0 peak 14971 weight 0.1000E+01 volume 6.64330 ppm1 8.323 ppm2 4.649 >>ASSI { 14981} >> (( segid "PROT" and resid 92 and name HN )) >> (( segid "PROT" and resid 93 and name HN )) >> 6 6 0 peak 14981 weight 0.1000E+01 volume 16.96020 ppm1 7.631 ppm2 8.795 >>ASSI { 14991} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 53 and name HG1# )) >> 6 6 0 peak 14991 weight 0.1000E+01 volume 3.35010 ppm1 8.116 ppm2 0.583 >>ASSI { 15001} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 91 and name HD1 )) >> 6 6 0 peak 15001 weight 0.1000E+01 volume 7.20520 ppm1 8.792 ppm2 6.956 >>ASSI { 15011} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 15011 weight 0.1000E+01 volume 3.70230 ppm1 8.797 ppm2 6.871 >>ASSI { 15031} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 92 and name HN )) >> 6 6 0 peak 15031 weight 0.1000E+01 volume 7.05190 ppm1 8.796 ppm2 7.629 >>ASSI { 15041} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 15041 weight 0.1000E+01 volume 18.00310 ppm1 7.758 ppm2 1.616 >>ASSI { 15051} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 98 and name HN )) >> 6 6 0 peak 15051 weight 0.1000E+01 volume 12.90390 ppm1 7.757 ppm2 8.036 >>ASSI { 15061} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 100 and name HN )) >> 6 6 0 peak 15061 weight 0.1000E+01 volume 12.78010 ppm1 8.036 ppm2 7.808 >>ASSI { 15071} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 96 and name HB2 )) >> 6 6 0 peak 15071 weight 0.1000E+01 volume 7.69160 ppm1 8.035 ppm2 4.013 >>ASSI { 15081} >> (( segid "PROT" and resid 98 and name HN )) >> (( segid "PROT" and resid 99 and name HB2 )) >> 6 6 0 peak 15081 weight 0.1000E+01 volume 8.68230 ppm1 8.039 ppm2 2.604 >>ASSI { 15091} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 37 and name HN )) >> 6 6 0 peak 15091 weight 0.1000E+01 volume 26.41740 ppm1 7.167 ppm2 7.584 >>ASSI { 15101} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 15101 weight 0.1000E+01 volume 24.39940 ppm1 7.171 ppm2 7.436 >>ASSI { 15121} >> (( segid "PROT" and resid 36 and name HH12 )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 15121 weight 0.1000E+01 volume 7.82970 ppm1 7.166 ppm2 3.056 >>ASSI { 15131} >> (( segid "PROT" and resid 36 and name HN )) >> (( segid "PROT" and resid 35 and name HB2 )) >> 6 6 0 peak 15131 weight 0.1000E+01 volume 7.19200 ppm1 7.171 ppm2 2.648 >>ASSI { 15141} >> (( segid "PROT" and resid 36 and name HH12 )) >> (( segid "PROT" and resid 33 and name HD2# )) >> 6 6 0 peak 15141 weight 0.1000E+01 volume 6.91790 ppm1 7.160 ppm2 0.851 >>ASSI { 15161} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 100 and name HA )) >> 6 6 0 peak 15161 weight 0.1000E+01 volume 6.33960 ppm1 8.552 ppm2 4.351 >>ASSI { 15171} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 101 and name HN )) >> 6 6 0 peak 15171 weight 0.1000E+01 volume 16.95510 ppm1 8.546 ppm2 9.170 >>ASSI { 15181} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 89 and name HE1 )) >> 6 6 0 peak 15181 weight 0.1000E+01 volume 5.94460 ppm1 8.552 ppm2 8.845 >>ASSI { 15191} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 100 and name HB1 )) >> 6 6 0 peak 15191 weight 0.1000E+01 volume 16.54290 ppm1 8.551 ppm2 1.982 >>ASSI { 15201} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 15201 weight 0.1000E+01 volume 23.87390 ppm1 8.551 ppm2 1.735 >>ASSI { 15211} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 100 and name HG2 )) >> 6 6 0 peak 15211 weight 0.1000E+01 volume 6.29640 ppm1 8.544 ppm2 1.597 >>ASSI { 15221} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 98 and name HG2# )) >> 6 6 0 peak 15221 weight 0.1000E+01 volume 12.41180 ppm1 8.548 ppm2 0.600 >>ASSI { 15241} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 15241 weight 0.1000E+01 volume 6.52620 ppm1 8.462 ppm2 3.738 >>ASSI { 15251} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 101 and name HB1 )) >> 6 6 0 peak 15251 weight 0.1000E+01 volume 4.95570 ppm1 8.453 ppm2 3.933 >>ASSI { 15261} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 15261 weight 0.1000E+01 volume 8.54120 ppm1 8.457 ppm2 7.313 >>ASSI { 15271} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 106 and name HN )) >> 6 6 0 peak 15271 weight 0.1000E+01 volume 7.63320 ppm1 8.461 ppm2 7.967 >>ASSI { 15281} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 15281 weight 0.1000E+01 volume 4.82740 ppm1 7.796 ppm2 7.479 >>ASSI { 15291} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 101 and name HD1 )) >> 6 6 0 peak 15291 weight 0.1000E+01 volume 17.20760 ppm1 7.793 ppm2 7.031 >>ASSI { 15301} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 15301 weight 0.1000E+01 volume 13.00260 ppm1 7.797 ppm2 4.140 >>ASSI { 15311} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 15311 weight 0.1000E+01 volume 9.78940 ppm1 7.793 ppm2 3.626 >>ASSI { 15331} >> (( segid "PROT" and resid 104 and name HN )) >> (( segid "PROT" and resid 104 and name HD1 )) >> 6 6 0 peak 15331 weight 0.1000E+01 volume 16.95630 ppm1 7.802 ppm2 1.808 >>ASSI { 15351} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 15351 weight 0.1000E+01 volume 4.56420 ppm1 8.010 ppm2 7.491 >>ASSI { 15361} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 15361 weight 0.1000E+01 volume 4.91650 ppm1 8.014 ppm2 7.282 >>ASSI { 15371} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 35 and name HD1 )) >> 6 6 0 peak 15371 weight 0.1000E+01 volume 8.87160 ppm1 8.012 ppm2 7.041 >>ASSI { 15381} >> (( segid "PROT" and resid 105 and name HN )) >> (( segid "PROT" and resid 103 and name HB1 )) >> 6 6 0 peak 15381 weight 0.1000E+01 volume 7.06460 ppm1 8.020 ppm2 4.131 >>ASSI { 15391} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 109 and name HN )) >> 6 6 0 peak 15391 weight 0.1000E+01 volume 5.17520 ppm1 7.956 ppm2 9.073 >>ASSI { 15401} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 103 and name HN )) >> 6 6 0 peak 15401 weight 0.1000E+01 volume 4.43930 ppm1 7.967 ppm2 8.472 >>ASSI { 15411} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 104 and name HA )) >> 6 6 0 peak 15411 weight 0.1000E+01 volume 7.39770 ppm1 7.959 ppm2 4.218 >>ASSI { 15421} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 104 and name HB1 )) >> 6 6 0 peak 15421 weight 0.1000E+01 volume 13.54280 ppm1 7.964 ppm2 2.044 >>ASSI { 15441} >> (( segid "PROT" and resid 106 and name HN )) >> (( segid "PROT" and resid 105 and name HG )) >> 6 6 0 peak 15441 weight 0.1000E+01 volume 10.55900 ppm1 7.963 ppm2 1.597 >>ASSI { 15451} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 106 and name HN )) >> 6 6 0 peak 15451 weight 0.1000E+01 volume 43.16300 ppm1 7.794 ppm2 7.958 >>ASSI { 15461} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 109 and name HD1 )) >> 6 6 0 peak 15461 weight 0.1000E+01 volume 9.60620 ppm1 7.799 ppm2 7.031 >>ASSI { 15471} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 110 and name HN )) >> 6 6 0 peak 15471 weight 0.1000E+01 volume 5.76170 ppm1 7.795 ppm2 8.556 >>ASSI { 15481} >> (( segid "PROT" and resid 108 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 15481 weight 0.1000E+01 volume 8.51400 ppm1 7.793 ppm2 6.061 >>ASSI { 15491} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 15491 weight 0.1000E+01 volume 9.59450 ppm1 9.082 ppm2 2.483 >>ASSI { 15501} >> (( segid "PROT" and resid 109 and name HN )) >> (( segid "PROT" and resid 106 and name HN )) >> 6 6 0 peak 15501 weight 0.1000E+01 volume 7.20410 ppm1 9.081 ppm2 7.971 >>ASSI { 15511} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 107 and name HN )) >> 6 6 0 peak 15511 weight 0.1000E+01 volume 9.39330 ppm1 8.554 ppm2 7.484 >>ASSI { 15521} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 108 and name HN )) >> 6 6 0 peak 15521 weight 0.1000E+01 volume 8.98610 ppm1 8.560 ppm2 7.751 >>ASSI { 15531} >> (( segid "PROT" and resid 110 and name HN )) >> (( segid "PROT" and resid 112 and name HN )) >> 6 6 0 peak 15531 weight 0.1000E+01 volume 10.39460 ppm1 8.557 ppm2 7.951 >>ASSI { 15541} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 110 and name HN )) >> 6 6 0 peak 15541 weight 0.1000E+01 volume 8.49180 ppm1 7.932 ppm2 8.546 >>ASSI { 15551} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 21 and name HG2# )) >> 6 6 0 peak 15551 weight 0.1000E+01 volume 13.32120 ppm1 7.928 ppm2 1.315 >>ASSI { 15561} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 15561 weight 0.1000E+01 volume 2.36420 ppm1 8.828 ppm2 2.847 >>ASSI { 15571} >> (( segid "PROT" and resid 113 and name HN )) >> (( segid "PROT" and resid 111 and name HN )) >> 6 6 0 peak 15571 weight 0.1000E+01 volume 7.46720 ppm1 8.832 ppm2 7.336 >>ASSI { 15591} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 15591 weight 0.1000E+01 volume 6.09090 ppm1 6.978 ppm2 1.230 >>ASSI { 15601} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 112 and name HN )) >> 6 6 0 peak 15601 weight 0.1000E+01 volume 6.01640 ppm1 6.977 ppm2 7.938 >>ASSI { 15611} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 119 and name HN )) >> 6 6 0 peak 15611 weight 0.1000E+01 volume 6.69130 ppm1 6.564 ppm2 7.619 >>ASSI { 15621} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 15621 weight 0.1000E+01 volume 32.13340 ppm1 8.459 ppm2 3.712 >>ASSI { 15631} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 119 and name HN )) >> 6 6 0 peak 15631 weight 0.1000E+01 volume 15.20100 ppm1 8.459 ppm2 7.610 >>ASSI { 15641} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 118 and name HN )) >> 6 6 0 peak 15641 weight 0.1000E+01 volume 31.29870 ppm1 8.459 ppm2 8.022 >>ASSI { 15651} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 119 and name HA )) >> 6 6 0 peak 15651 weight 0.1000E+01 volume 8.96120 ppm1 8.034 ppm2 4.436 >>ASSI { 15661} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 15661 weight 0.1000E+01 volume 13.37010 ppm1 8.029 ppm2 3.704 >>ASSI { 15671} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 117 and name HE# )) >> 6 6 0 peak 15671 weight 0.1000E+01 volume 7.64940 ppm1 8.027 ppm2 1.551 >>ASSI { 15681} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 117 and name HA )) >> 6 6 0 peak 15681 weight 0.1000E+01 volume 57.93110 ppm1 7.602 ppm2 4.316 >>ASSI { 15691} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 118 and name HA )) >> 6 6 0 peak 15691 weight 0.1000E+01 volume 84.90570 ppm1 7.603 ppm2 4.108 >>ASSI { 15701} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 116 and name HA )) >> 6 6 0 peak 15701 weight 0.1000E+01 volume 7.98220 ppm1 7.594 ppm2 3.713 >>ASSI { 15711} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 118 and name HB2 )) >> 6 6 0 peak 15711 weight 0.1000E+01 volume 22.90480 ppm1 7.593 ppm2 2.051 >>ASSI { 15721} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 118 and name HN )) >> 6 6 0 peak 15721 weight 0.1000E+01 volume 33.33150 ppm1 7.599 ppm2 8.039 >>ASSI { 15731} >> (( segid "PROT" and resid 89 and name HN )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 15731 weight 0.1000E+01 volume 4.17590 ppm1 8.665 ppm2 7.106 >>ASSI { 15741} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 62 and name HN )) >> 6 6 0 peak 15741 weight 0.1000E+01 volume 10.53430 ppm1 7.287 ppm2 7.531 >>ASSI { 15751} >> (( segid "PROT" and resid 61 and name HN )) >> (( segid "PROT" and resid 64 and name HN )) >> 6 6 0 peak 15751 weight 0.1000E+01 volume 4.61310 ppm1 7.288 ppm2 7.810 >>ASSI { 15761} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 61 and name HN )) >> 6 6 0 peak 15761 weight 0.1000E+01 volume 6.04290 ppm1 8.784 ppm2 7.280 >>ASSI { 15771} >> (( segid "PROT" and resid 100 and name HN )) >> (( segid "PROT" and resid 101 and name HN )) >> 6 6 0 peak 15771 weight 0.1000E+01 volume 13.85870 ppm1 7.761 ppm2 9.168 >>ASSI { 15781} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 43 and name HD1# )) >> 6 6 0 peak 15781 weight 0.1000E+01 volume 49.99520 ppm1 7.414 ppm2 0.843 >>ASSI { 15791} >> (( segid "PROT" and resid 120 and name HN )) >> (( segid "PROT" and resid 17 and name HB# )) >> 6 6 0 peak 15791 weight 0.1000E+01 volume 14.60090 ppm1 7.600 ppm2 1.377 >>ASSI { 15801} >> (( segid "PROT" and resid 19 and name HN )) >> (( segid "PROT" and resid 22 and name HD2# )) >> 6 6 0 peak 15801 weight 0.1000E+01 volume 6.73080 ppm1 8.681 ppm2 1.083 >>ASSI { 15821} >> (( segid "PROT" and resid 39 and name HN )) >> (( segid "PROT" and resid 49 and name HD1 )) >> 6 6 0 peak 15821 weight 0.1000E+01 volume 3.50450 ppm1 8.449 ppm2 5.577 >>ASSI { 15831} >> (( segid "PROT" and resid 16 and name HN )) >> (( segid "PROT" and resid 16 and name HG2 )) >> 6 6 0 peak 15831 weight 0.1000E+01 volume 14.29870 ppm1 7.786 ppm2 2.400 >>ASSI { 15841} >> (( segid "PROT" and resid 63 and name HN )) >> (( segid "PROT" and resid 63 and name HD1 )) >> 6 6 0 peak 15841 weight 0.1000E+01 volume 40.37140 ppm1 8.775 ppm2 1.540 >>ASSI { 15851} >> (( segid "PROT" and resid 6 and name HN )) >> (( segid "PROT" and resid 6 and name HG2 )) >> 6 6 0 peak 15851 weight 0.1000E+01 volume 34.05560 ppm1 8.431 ppm2 1.320 >>ASSI { 15861} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 6 and name HG1 )) >> 6 6 0 peak 15861 weight 0.1000E+01 volume 9.22990 ppm1 8.287 ppm2 1.401 >>ASSI { 15871} >> (( segid "PROT" and resid 7 and name HN )) >> (( segid "PROT" and resid 7 and name HG2 )) >> 6 6 0 peak 15871 weight 0.1000E+01 volume 16.90720 ppm1 8.285 ppm2 0.967 >>ASSI { 15891} >> (( segid "PROT" and resid 31 and name HN )) >> (( segid "PROT" and resid 101 and name HB2 )) >> 6 6 0 peak 15891 weight 0.1000E+01 volume 11.89120 ppm1 9.474 ppm2 3.624 >>ASSI { 15901} >> (( segid "PROT" and resid 90 and name HN )) >> (( segid "PROT" and resid 87 and name HN )) >> 6 6 0 peak 15901 weight 0.1000E+01 volume 2.87540 ppm1 8.119 ppm2 8.918 >>ASSI { 15911} >> (( segid "PROT" and resid 72 and name HE21 )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 15911 weight 0.1000E+01 volume 66.18950 ppm1 7.596 ppm2 2.458 >>ASSI { 15921} >> (( segid "PROT" and resid 93 and name HN )) >> (( segid "PROT" and resid 91 and name HA )) >> 6 6 0 peak 15921 weight 0.1000E+01 volume 15.53170 ppm1 8.801 ppm2 4.021 >>ASSI { 15931} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 89 and name HD1 )) >> 6 6 0 peak 15931 weight 0.1000E+01 volume 5.80070 ppm1 8.457 ppm2 4.980 >>ASSI { 15941} >> (( segid "PROT" and resid 102 and name HN )) >> (( segid "PROT" and resid 99 and name HA )) >> 6 6 0 peak 15941 weight 0.1000E+01 volume 18.27280 ppm1 8.545 ppm2 3.736 >>ASSI { 15951} >> (( segid "PROT" and resid 103 and name HN )) >> (( segid "PROT" and resid 100 and name HG1 )) >> 6 6 0 peak 15951 weight 0.1000E+01 volume 7.47050 ppm1 8.459 ppm2 1.735 >>ASSI { 15961} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 15961 weight 0.1000E+01 volume 5.46660 ppm1 8.027 ppm2 0.998 >>ASSI { 15971} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 37 and name HN )) >> 6 6 0 peak 15971 weight 0.1000E+01 volume 8.15170 ppm1 8.024 ppm2 7.586 >>ASSI { 15981} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 35 and name HE1 )) >> 6 6 0 peak 15981 weight 0.1000E+01 volume 29.60610 ppm1 8.031 ppm2 7.313 >>ASSI { 15991} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 35 and name HA )) >> 6 6 0 peak 15991 weight 0.1000E+01 volume 38.43610 ppm1 8.028 ppm2 4.813 >>ASSI { 16001} >> (( segid "PROT" and resid 45 and name HN )) >> (( segid "PROT" and resid 47 and name HD2 )) >> 6 6 0 peak 16001 weight 0.1000E+01 volume 9.17400 ppm1 7.389 ppm2 3.330 >>ASSI { 16011} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 55 and name HA )) >> 6 6 0 peak 16011 weight 0.1000E+01 volume 4.67080 ppm1 6.899 ppm2 5.252 >>ASSI { 16021} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 35 and name HN )) >> 6 6 0 peak 16021 weight 0.1000E+01 volume 7.39070 ppm1 6.439 ppm2 8.027 >>ASSI { 16031} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HD1 )) >> 6 6 0 peak 16031 weight 0.1000E+01 volume 10.63910 ppm1 6.442 ppm2 3.235 >>ASSI { 16041} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HD2 )) >> 6 6 0 peak 16041 weight 0.1000E+01 volume 9.04790 ppm1 6.440 ppm2 3.081 >>ASSI { 16071} >> (( segid "PROT" and resid 5 and name HN )) >> (( segid "PROT" and resid 5 and name HD1 )) >> 6 6 0 peak 16071 weight 0.1000E+01 volume 4.30210 ppm1 8.471 ppm2 3.164 >>ASSI { 16081} >> (( segid "PROT" and resid 14 and name HN )) >> (( segid "PROT" and resid 8 and name HG2# )) >> 6 6 0 peak 16081 weight 0.1000E+01 volume 2.56540 ppm1 7.854 ppm2 0.851 >>ASSI { 16111} >> (( segid "PROT" and resid 35 and name HN )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 16111 weight 0.1000E+01 volume 12.50200 ppm1 8.022 ppm2 1.707 >>ASSI { 16121} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 33 and name HD1# )) >> 6 6 0 peak 16121 weight 0.1000E+01 volume 5.48950 ppm1 6.439 ppm2 0.986 >>ASSI { 16131} >> (( segid "PROT" and resid 36 and name HE )) >> (( segid "PROT" and resid 36 and name HB2 )) >> 6 6 0 peak 16131 weight 0.1000E+01 volume 6.82210 ppm1 6.445 ppm2 1.910 >>ASSI { 16141} >> (( segid "PROT" and resid 43 and name HN )) >> (( segid "PROT" and resid 40 and name HA )) >> 6 6 0 peak 16141 weight 0.1000E+01 volume 3.74530 ppm1 7.414 ppm2 5.035 >>ASSI { 16151} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 49 and name HE1 )) >> 6 6 0 peak 16151 weight 0.1000E+01 volume 3.73320 ppm1 7.990 ppm2 6.336 >>ASSI { 16161} >> (( segid "PROT" and resid 49 and name HN )) >> (( segid "PROT" and resid 50 and name HD1 )) >> 6 6 0 peak 16161 weight 0.1000E+01 volume 2.57990 ppm1 8.001 ppm2 7.425 >>ASSI { 16171} >> (( segid "PROT" and resid 52 and name HN )) >> (( segid "PROT" and resid 91 and name HE1 )) >> 6 6 0 peak 16171 weight 0.1000E+01 volume 3.50440 ppm1 7.184 ppm2 6.814 >>ASSI { 16181} >> (( segid "PROT" and resid 55 and name HN )) >> (( segid "PROT" and resid 56 and name HG1 )) >> 6 6 0 peak 16181 weight 0.1000E+01 volume 6.31630 ppm1 8.580 ppm2 2.163 >>ASSI { 16191} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 54 and name HG1 )) >> 6 6 0 peak 16191 weight 0.1000E+01 volume 4.83700 ppm1 6.901 ppm2 1.434 >>ASSI { 16201} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 16201 weight 0.1000E+01 volume 5.47300 ppm1 6.899 ppm2 1.113 >>ASSI { 16211} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 16211 weight 0.1000E+01 volume 5.29510 ppm1 6.902 ppm2 0.903 >>ASSI { 16221} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 16221 weight 0.1000E+01 volume 8.54340 ppm1 7.605 ppm2 0.898 >>ASSI { 16231} >> (( segid "PROT" and resid 55 and name HD22 )) >> (( segid "PROT" and resid 83 and name HD2# )) >> 6 6 0 peak 16231 weight 0.1000E+01 volume 10.40210 ppm1 7.608 ppm2 1.122 >>ASSI { 16241} >> (( segid "PROT" and resid 55 and name HD21 )) >> (( segid "PROT" and resid 55 and name HN )) >> 6 6 0 peak 16241 weight 0.1000E+01 volume 6.84990 ppm1 6.897 ppm2 8.585 >>ASSI { 16251} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 60 and name HN )) >> 6 6 0 peak 16251 weight 0.1000E+01 volume 5.96760 ppm1 8.799 ppm2 8.237 >>ASSI { 16261} >> (( segid "PROT" and resid 58 and name HN )) >> (( segid "PROT" and resid 59 and name HB1 )) >> 6 6 0 peak 16261 weight 0.1000E+01 volume 12.73590 ppm1 7.277 ppm2 1.711 >>ASSI { 16281} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 64 and name HB1 )) >> 6 6 0 peak 16281 weight 0.1000E+01 volume 175.80600 ppm1 8.473 ppm2 1.960 >>ASSI { 16291} >> (( segid "PROT" and resid 65 and name HN )) >> (( segid "PROT" and resid 67 and name HN )) >> 6 6 0 peak 16291 weight 0.1000E+01 volume 1.49590 ppm1 8.468 ppm2 9.144 >>ASSI { 16301} >> (( segid "PROT" and resid 67 and name HN )) >> (( segid "PROT" and resid 69 and name HN )) >> 6 6 0 peak 16301 weight 0.1000E+01 volume 3.60030 ppm1 9.131 ppm2 7.416 >>ASSI { 16311} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 68 and name HB )) >> 6 6 0 peak 16311 weight 0.1000E+01 volume 20.30990 ppm1 6.813 ppm2 4.530 >>ASSI { 16321} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 16321 weight 0.1000E+01 volume 7.82340 ppm1 6.816 ppm2 3.983 >>ASSI { 16331} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 70 and name HA )) >> 6 6 0 peak 16331 weight 0.1000E+01 volume 14.89140 ppm1 7.305 ppm2 3.989 >>ASSI { 16341} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 16341 weight 0.1000E+01 volume 7.02750 ppm1 7.303 ppm2 3.420 >>ASSI { 16351} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 65 and name HA )) >> 6 6 0 peak 16351 weight 0.1000E+01 volume 8.79720 ppm1 6.811 ppm2 3.419 >>ASSI { 16361} >> (( segid "PROT" and resid 70 and name HE21 )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 16361 weight 0.1000E+01 volume 13.18420 ppm1 7.304 ppm2 2.002 >>ASSI { 16371} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 70 and name HB1 )) >> 6 6 0 peak 16371 weight 0.1000E+01 volume 11.95950 ppm1 6.815 ppm2 2.001 >>ASSI { 16381} >> (( segid "PROT" and resid 70 and name HE22 )) >> (( segid "PROT" and resid 68 and name HG2# )) >> 6 6 0 peak 16381 weight 0.1000E+01 volume 9.15820 ppm1 6.812 ppm2 1.237 >>ASSI { 16391} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 105 and name HA )) >> 6 6 0 peak 16391 weight 0.1000E+01 volume 14.48970 ppm1 7.486 ppm2 3.641 >>ASSI { 16401} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 106 and name HA )) >> 6 6 0 peak 16401 weight 0.1000E+01 volume 26.50130 ppm1 7.489 ppm2 3.400 >>ASSI { 16411} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 113 and name HN )) >> 6 6 0 peak 16411 weight 0.1000E+01 volume 10.18110 ppm1 7.328 ppm2 8.839 >>ASSI { 16421} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 109 and name HN )) >> 6 6 0 peak 16421 weight 0.1000E+01 volume 5.06700 ppm1 7.335 ppm2 9.072 >>ASSI { 16431} >> (( segid "PROT" and resid 66 and name HN )) >> (( segid "PROT" and resid 64 and name HA )) >> 6 6 0 peak 16431 weight 0.1000E+01 volume 7.05890 ppm1 8.581 ppm2 4.192 >>ASSI { 16441} >> (( segid "PROT" and resid 68 and name HN )) >> (( segid "PROT" and resid 66 and name HB2 )) >> 6 6 0 peak 16441 weight 0.1000E+01 volume 9.12650 ppm1 7.747 ppm2 1.719 >>ASSI { 16451} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 16451 weight 0.1000E+01 volume 8.24230 ppm1 8.437 ppm2 6.731 >>ASSI { 16461} >> (( segid "PROT" and resid 79 and name HN )) >> (( segid "PROT" and resid 77 and name HN )) >> 6 6 0 peak 16461 weight 0.1000E+01 volume 4.28280 ppm1 8.425 ppm2 6.278 >>ASSI { 16471} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 77 and name HD1 )) >> 6 6 0 peak 16471 weight 0.1000E+01 volume 8.76130 ppm1 7.166 ppm2 6.736 >>ASSI { 16481} >> (( segid "PROT" and resid 80 and name HN )) >> (( segid "PROT" and resid 78 and name HG1# )) >> 6 6 0 peak 16481 weight 0.1000E+01 volume 1.73220 ppm1 7.175 ppm2 1.286 >>ASSI { 16491} >> (( segid "PROT" and resid 83 and name HN )) >> (( segid "PROT" and resid 85 and name HN )) >> 6 6 0 peak 16491 weight 0.1000E+01 volume 10.30380 ppm1 8.064 ppm2 7.477 >>ASSI { 16501} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 16501 weight 0.1000E+01 volume 12.05220 ppm1 7.324 ppm2 4.214 >>ASSI { 16511} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 82 and name HB1 )) >> 6 6 0 peak 16511 weight 0.1000E+01 volume 5.07540 ppm1 7.482 ppm2 3.339 >>ASSI { 16521} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 83 and name HD1# )) >> 6 6 0 peak 16521 weight 0.1000E+01 volume 41.87990 ppm1 7.323 ppm2 0.906 >>ASSI { 16531} >> (( segid "PROT" and resid 86 and name HD21 )) >> (( segid "PROT" and resid 86 and name HD22 )) >> 6 6 0 peak 16531 weight 0.1000E+01 volume 77.20210 ppm1 7.791 ppm2 7.213 >>ASSI { 16541} >> (( segid "PROT" and resid 86 and name HD22 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 16541 weight 0.1000E+01 volume 5.02090 ppm1 7.208 ppm2 4.242 >>ASSI { 16551} >> (( segid "PROT" and resid 86 and name HD21 )) >> (( segid "PROT" and resid 83 and name HA )) >> 6 6 0 peak 16551 weight 0.1000E+01 volume 2.59400 ppm1 7.802 ppm2 4.250 >>ASSI { 16561} >> (( segid "PROT" and resid 86 and name HD22 )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 16561 weight 0.1000E+01 volume 5.15770 ppm1 7.213 ppm2 3.330 >>ASSI { 16571} >> (( segid "PROT" and resid 86 and name HD21 )) >> (( segid "PROT" and resid 89 and name HB1 )) >> 6 6 0 peak 16571 weight 0.1000E+01 volume 4.18210 ppm1 7.796 ppm2 3.326 >>ASSI { 16581} >> (( segid "PROT" and resid 86 and name HD21 )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 16581 weight 0.1000E+01 volume 11.55370 ppm1 7.797 ppm2 2.916 >>ASSI { 16591} >> (( segid "PROT" and resid 86 and name HD22 )) >> (( segid "PROT" and resid 86 and name HB2 )) >> 6 6 0 peak 16591 weight 0.1000E+01 volume 9.05370 ppm1 7.212 ppm2 2.920 >>ASSI { 16601} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 86 and name HN )) >> 6 6 0 peak 16601 weight 0.1000E+01 volume 2.17850 ppm1 7.304 ppm2 9.609 >>ASSI { 16611} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 90 and name HN )) >> 6 6 0 peak 16611 weight 0.1000E+01 volume 15.28900 ppm1 7.317 ppm2 8.087 >>ASSI { 16621} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 86 and name HD21 )) >> 6 6 0 peak 16621 weight 0.1000E+01 volume 3.79860 ppm1 8.925 ppm2 7.800 >>ASSI { 16631} >> (( segid "PROT" and resid 42 and name HE22 )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 16631 weight 0.1000E+01 volume 11.08500 ppm1 6.874 ppm2 2.363 >>ASSI { 16641} >> (( segid "PROT" and resid 42 and name HE21 )) >> (( segid "PROT" and resid 42 and name HG1 )) >> 6 6 0 peak 16641 weight 0.1000E+01 volume 15.48270 ppm1 7.654 ppm2 2.367 >>ASSI { 16651} >> (( segid "PROT" and resid 87 and name HN )) >> (( segid "PROT" and resid 85 and name HD1 )) >> 6 6 0 peak 16651 weight 0.1000E+01 volume 2.26410 ppm1 8.915 ppm2 6.066 >>ASSI { 16661} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 16661 weight 0.1000E+01 volume 2.37270 ppm1 9.597 ppm2 4.499 >>ASSI { 16671} >> (( segid "PROT" and resid 86 and name HN )) >> (( segid "PROT" and resid 88 and name HB# )) >> 6 6 0 peak 16671 weight 0.1000E+01 volume 5.30920 ppm1 9.599 ppm2 1.708 >>ASSI { 16681} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 90 and name HD1# )) >> 6 6 0 peak 16681 weight 0.1000E+01 volume 7.90540 ppm1 7.316 ppm2 1.038 >>ASSI { 16691} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 107 and name HG1 )) >> 6 6 0 peak 16691 weight 0.1000E+01 volume 56.00420 ppm1 7.488 ppm2 2.507 >>ASSI { 16701} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 16701 weight 0.1000E+01 volume 4.12310 ppm1 7.488 ppm2 2.843 >>ASSI { 16711} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 109 and name HB2 )) >> 6 6 0 peak 16711 weight 0.1000E+01 volume 5.20590 ppm1 7.487 ppm2 3.070 >>ASSI { 16721} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 85 and name HA )) >> 6 6 0 peak 16721 weight 0.1000E+01 volume 44.55150 ppm1 7.482 ppm2 4.207 >>ASSI { 16731} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 103 and name HA )) >> 6 6 0 peak 16731 weight 0.1000E+01 volume 6.09170 ppm1 7.482 ppm2 4.459 >>ASSI { 16741} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 85 and name HE1 )) >> 6 6 0 peak 16741 weight 0.1000E+01 volume 17.76230 ppm1 7.487 ppm2 6.059 >>ASSI { 16751} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 16751 weight 0.1000E+01 volume 9.04290 ppm1 7.485 ppm2 7.955 >>ASSI { 16761} >> (( segid "PROT" and resid 85 and name HN )) >> (( segid "PROT" and resid 87 and name HN )) >> 6 6 0 peak 16761 weight 0.1000E+01 volume 4.60320 ppm1 7.477 ppm2 8.922 >>ASSI { 16771} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 109 and name HN )) >> 6 6 0 peak 16771 weight 0.1000E+01 volume 11.43080 ppm1 7.490 ppm2 9.088 >>ASSI { 16781} >> (( segid "PROT" and resid 107 and name HN )) >> (( segid "PROT" and resid 110 and name HN )) >> 6 6 0 peak 16781 weight 0.1000E+01 volume 5.84830 ppm1 7.481 ppm2 8.570 >>ASSI { 16791} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 109 and name HB1 )) >> 6 6 0 peak 16791 weight 0.1000E+01 volume 2.76580 ppm1 7.337 ppm2 3.345 >>ASSI { 16801} >> (( segid "PROT" and resid 111 and name HN )) >> (( segid "PROT" and resid 112 and name HB2 )) >> 6 6 0 peak 16801 weight 0.1000E+01 volume 10.18980 ppm1 7.332 ppm2 1.773 >>ASSI { 16811} >> (( segid "PROT" and resid 114 and name HN )) >> (( segid "PROT" and resid 111 and name HB2 )) >> 6 6 0 peak 16811 weight 0.1000E+01 volume 5.08210 ppm1 6.975 ppm2 2.199 >>ASSI { 16821} >> (( segid "PROT" and resid 112 and name HN )) >> (( segid "PROT" and resid 110 and name HG1 )) >> 6 6 0 peak 16821 weight 0.1000E+01 volume 5.83910 ppm1 7.925 ppm2 2.861 >>ASSI { 16831} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 114 and name HB2 )) >> 6 6 0 peak 16831 weight 0.1000E+01 volume 14.17820 ppm1 6.565 ppm2 2.686 >>ASSI { 16841} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 114 and name HB1 )) >> 6 6 0 peak 16841 weight 0.1000E+01 volume 9.84930 ppm1 6.554 ppm2 2.855 >>ASSI { 16861} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 116 and name HG2# )) >> 6 6 0 peak 16861 weight 0.1000E+01 volume 37.53150 ppm1 8.461 ppm2 0.772 >>ASSI { 16871} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 116 and name HG1# )) >> 6 6 0 peak 16871 weight 0.1000E+01 volume 6.47690 ppm1 8.022 ppm2 1.059 >>ASSI { 16881} >> (( segid "PROT" and resid 118 and name HN )) >> (( segid "PROT" and resid 113 and name HG11 )) >> 6 6 0 peak 16881 weight 0.1000E+01 volume 8.37020 ppm1 8.019 ppm2 1.266 >>ASSI { 16891} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 16891 weight 0.1000E+01 volume 44.50980 ppm1 8.450 ppm2 0.907 >>ASSI { 16901} >> (( segid "PROT" and resid 116 and name HN )) >> (( segid "PROT" and resid 113 and name HD1# )) >> 6 6 0 peak 16901 weight 0.1000E+01 volume 43.44780 ppm1 6.560 ppm2 0.905 >>ASSI { 16911} >> (( segid "PROT" and resid 119 and name HN )) >> (( segid "PROT" and resid 116 and name HN )) >> 6 6 0 peak 16911 weight 0.1000E+01 volume 8.77900 ppm1 7.612 ppm2 6.569 >>ASSI { 16921} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 118 and name HN )) >> 6 6 0 peak 16921 weight 0.1000E+01 volume 47.18530 ppm1 7.607 ppm2 8.017 >>ASSI { 16931} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 117 and name HN )) >> 6 6 0 peak 16931 weight 0.1000E+01 volume 16.69810 ppm1 7.608 ppm2 8.445 >>ASSI { 16941} >> (( segid "PROT" and resid 121 and name HN )) >> (( segid "PROT" and resid 118 and name HB2 )) >> 6 6 0 peak 16941 weight 0.1000E+01 volume 35.95340 ppm1 7.603 ppm2 2.057 >>ASSI { 16961} >> (( segid "PROT" and resid 64 and name HN )) >> (( segid "PROT" and resid 64 and name HG1 )) >> 6 6 0 peak 16961 weight 0.1000E+01 volume 67.41820 ppm1 7.810 ppm2 1.691 >>ASSI { 16971} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 57 and name HA )) >> 6 6 0 peak 16971 weight 0.1000E+01 volume 14.15720 ppm1 8.424 ppm2 5.067 >>ASSI { 16981} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 56 and name HA )) >> 6 6 0 peak 16981 weight 0.1000E+01 volume 62.40770 ppm1 8.430 ppm2 4.092 >>ASSI { 16991} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 58 and name HN )) >> 6 6 0 peak 16991 weight 0.1000E+01 volume 4.68300 ppm1 8.425 ppm2 7.292 >>ASSI { 17011} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 62 and name HN )) >> 6 6 0 peak 17011 weight 0.1000E+01 volume 5.07860 ppm1 8.431 ppm2 7.537 >>ASSI { 17021} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 53 and name HG2# )) >> 6 6 0 peak 17021 weight 0.1000E+01 volume 22.12340 ppm1 8.427 ppm2 0.590 >>ASSI { 17031} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 61 and name HG2# )) >> 6 6 0 peak 17031 weight 0.1000E+01 volume 16.45850 ppm1 8.423 ppm2 1.129 >>ASSI { 17041} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 57 and name HB2 )) >> 6 6 0 peak 17041 weight 0.1000E+01 volume 18.97780 ppm1 8.432 ppm2 1.262 >>ASSI { 17051} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 57 and name HB1 )) >> 6 6 0 peak 17051 weight 0.1000E+01 volume 16.05930 ppm1 8.429 ppm2 2.165 >>ASSI { 17061} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 56 and name HB1 )) >> 6 6 0 peak 17061 weight 0.1000E+01 volume 12.68550 ppm1 8.436 ppm2 2.467 >>ASSI { 17071} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 56 and name HD1 )) >> 6 6 0 peak 17071 weight 0.1000E+01 volume 5.99210 ppm1 8.430 ppm2 3.693 >>ASSI { 17081} >> (( segid "PROT" and resid 57 and name HN )) >> (( segid "PROT" and resid 57 and name HE# )) >> 6 6 0 peak 17081 weight 0.1000E+01 volume 36.82730 ppm1 8.427 ppm2 2.017 >>ASSI { 17091} >> (( segid "PROT" and resid 59 and name HN )) >> (( segid "PROT" and resid 58 and name HA )) >> 6 6 0 peak 17091 weight 0.1000E+01 volume 22.05210 ppm1 8.818 ppm2 4.832 >>ASSI { 17101} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 84 and name HB1 )) >> 6 6 0 peak 17101 weight 0.1000E+01 volume 23.10660 ppm1 7.324 ppm2 2.229 >>ASSI { 17111} >> (( segid "PROT" and resid 117 and name HN )) >> (( segid "PROT" and resid 117 and name HG1 )) >> 6 6 0 peak 17111 weight 0.1000E+01 volume 43.05490 ppm1 8.456 ppm2 2.651 >>ASSI { 17121} >> (( segid "PROT" and resid 84 and name HN )) >> (( segid "PROT" and resid 84 and name HG1 )) >> 6 6 0 peak 17121 weight 0.1000E+01 volume 10.06730 ppm1 7.316 ppm2 2.663 >>ASSI { 17131} >> (( segid "PROT" and resid 37 and name HE22 )) >> (( segid "PROT" and resid 37 and name HG2 )) >> 6 6 0 peak 17131 weight 0.1000E+01 volume 39.11330 ppm1 6.838 ppm2 2.109 >>ASSI { 17141} >> (( segid "PROT" and resid 37 and name HE22 )) >> (( segid "PROT" and resid 37 and name HG1 )) >> 6 6 0 peak 17141 weight 0.1000E+01 volume 29.70370 ppm1 6.835 ppm2 2.240 >>ASSI { 17151} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 37 and name HB2 )) >> 6 6 0 peak 17151 weight 0.1000E+01 volume 7.67850 ppm1 7.420 ppm2 1.791 >>ASSI { 17161} >> (( segid "PROT" and resid 37 and name HE21 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 17161 weight 0.1000E+01 volume 3.25660 ppm1 7.424 ppm2 3.917 >>ASSI { 17171} >> (( segid "PROT" and resid 37 and name HE22 )) >> (( segid "PROT" and resid 33 and name HA )) >> 6 6 0 peak 17171 weight 0.1000E+01 volume 4.90000 ppm1 6.834 ppm2 3.935 >>ASSI { 17191} >> (( segid "PROT" and resid 16 and name HE21 )) >> (( segid "PROT" and resid 16 and name HB2 )) >> 6 6 0 peak 17191 weight 0.1000E+01 volume 24.92190 ppm1 7.584 ppm2 2.060 >>ASSI { 17201} >> (( segid "PROT" and resid 16 and name HE21 )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 17201 weight 0.1000E+01 volume 27.07730 ppm1 7.591 ppm2 4.141 >>ASSI { 17211} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 13 and name HA )) >> 6 6 0 peak 17211 weight 0.1000E+01 volume 17.35540 ppm1 6.832 ppm2 4.165 >>ASSI { 17221} >> (( segid "PROT" and resid 16 and name HE21 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 17221 weight 0.1000E+01 volume 4.41430 ppm1 7.581 ppm2 3.932 >>ASSI { 17231} >> (( segid "PROT" and resid 16 and name HE22 )) >> (( segid "PROT" and resid 16 and name HA )) >> 6 6 0 peak 17231 weight 0.1000E+01 volume 5.04770 ppm1 6.835 ppm2 3.934 >>ASSI { 17241} >> (( segid "PROT" and resid 42 and name HE21 )) >> (( segid "PROT" and resid 42 and name HA )) >> 6 6 0 peak 17241 weight 0.1000E+01 volume 6.44540 ppm1 7.656 ppm2 4.033 >>ASSI { 17251} >> (( segid "PROT" and resid 72 and name HE22 )) >> (( segid "PROT" and resid 72 and name HA )) >> 6 6 0 peak 17251 weight 0.1000E+01 volume 8.62290 ppm1 6.765 ppm2 4.290 >>ASSI { 17261} >> (( segid "PROT" and resid 118 and name HE22 )) >> (( segid "PROT" and resid 118 and name HA )) >> 6 6 0 peak 17261 weight 0.1000E+01 volume 11.31360 ppm1 6.785 ppm2 4.132 >>ASSI { 17271} >> (( segid "PROT" and resid 118 and name HE22 )) >> (( segid "PROT" and resid 114 and name HA )) >> 6 6 0 peak 17271 weight 0.1000E+01 volume 6.25590 ppm1 6.782 ppm2 4.536 >>ASSI { 17281} >> (( segid "PROT" and resid 72 and name HE22 )) >> (( segid "PROT" and resid 72 and name HG1 )) >> 6 6 0 peak 17281 weight 0.1000E+01 volume 49.81670 ppm1 6.763 ppm2 2.446 >>ASSI { 17291} >> (( segid "PROT" and resid 72 and name HE21 )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 17291 weight 0.1000E+01 volume 36.50520 ppm1 7.595 ppm2 2.214 >>ASSI { 17301} >> (( segid "PROT" and resid 72 and name HE22 )) >> (( segid "PROT" and resid 72 and name HB1 )) >> 6 6 0 peak 17301 weight 0.1000E+01 volume 16.05220 ppm1 6.759 ppm2 2.248 >>ASSI { 17321} >> (( segid "PROT" and resid 28 and name HE21 )) >> (( segid "PROT" and resid 28 and name HE22 )) >> 6 6 0 peak 17321 weight 0.1000E+01 volume 113.43840 ppm1 7.948 ppm2 6.992 >>ASSI { 17331} >> (( segid "PROT" and resid 28 and name HE22 )) >> (( segid "PROT" and resid 28 and name HA )) >> 6 6 0 peak 17331 weight 0.1000E+01 volume 7.94420 ppm1 6.997 ppm2 4.112 >>ASSI { 17341} >> (( segid "PROT" and resid 28 and name HE21 )) >> (( segid "PROT" and resid 28 and name HB1 )) >> 6 6 0 peak 17341 weight 0.1000E+01 volume 28.43430 ppm1 7.939 ppm2 2.080 >>ASSI { 17351} >> (( segid "PROT" and resid 15 and name HE )) >> (( segid "PROT" and resid 15 and name HA )) >> 6 6 0 peak 17351 weight 0.1000E+01 volume 5.78140 ppm1 7.802 ppm2 3.680 >>ASSI { 17361} >> (( segid "PROT" and resid 15 and name HE )) >> (( segid "PROT" and resid 12 and name HA )) >> 6 6 0 peak 17361 weight 0.1000E+01 volume 5.49490 ppm1 7.802 ppm2 4.171 >>ASSI { 17371} >> (( segid "PROT" and resid 71 and name HN )) >> (( segid "PROT" and resid 71 and name HA )) >> 6 6 0 peak 17371 weight 0.1000E+01 volume 57.39920 ppm1 8.116 ppm2 4.774 >>ASSI { 17381} >> (( segid "PROT" and resid 72 and name HN )) >> (( segid "PROT" and resid 71 and name HA )) >> 6 6 0 peak 17381 weight 0.1000E+01 volume 21.93050 ppm1 8.901 ppm2 4.768 >>ASSI { 17391} >> (( segid "PROT" and resid 88 and name HN )) >> (( segid "PROT" and resid 87 and name HA )) >> 6 6 0 peak 17391 weight 0.1000E+01 volume 27.18940 ppm1 7.305 ppm2 4.479 >>ASSI { 17401} >> (( segid "PROT" and resid 99 and name HN )) >> (( segid "PROT" and resid 99 and name HB1 )) >> 6 6 0 peak 17401 weight 0.1000E+01 volume 30.47240 ppm1 7.315 ppm2 3.390 >>ASSI { 17431} >> (( segid "PROT" and resid 82 and name HE1 )) >> (( segid "PROT" and resid 82 and name HN )) >> 6 6 0 peak 17431 weight 0.1000E+01 volume 9.94500 ppm1 10.511 ppm2 7.934 >>ASSI { 17441} >> (( segid "PROT" and resid 27 and name HE )) >> (( segid "PROT" and resid 27 and name HA )) >> 6 6 0 peak 17441 weight 0.1000E+01 volume 8.45160 ppm1 7.320 ppm2 4.010 >>! F3 (1H): 0.04 ppm >>! F2 (X): 0.4 ppm >>! F1 (1H): 0.04 ppm >>!The last digit in peak ID is the spectrum number >>assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) >> and bondedto( attr rmsd < 127.797 and attr rmsd > 126.997 )) >> ( attr rmsd < 1.332 and attr rmsd > 1.252 ) >> 6 6 0 peak 61 volume 549.76648 ppm1 10.511 ppm2 1.292 >>assi (( attr rmsd < 10.549 and attr rmsd > 10.469 ) >> and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) >> ( attr rmsd < 7.238 and attr rmsd > 7.158 ) >> 6 6 0 peak 71 volume 161.86880 ppm1 10.509 ppm2 7.198 >>assi (( attr rmsd < 8.894 and attr rmsd > 8.814 ) >> and bondedto( attr rmsd < 127.419 and attr rmsd > 126.619 )) >> ( attr rmsd < 7.043 and attr rmsd > 6.963 ) >> 6 6 0 peak 81 volume 239.65311 ppm1 8.854 ppm2 7.003 >>assi (( attr rmsd < 7.902 and attr rmsd > 7.822 ) >> and bondedto( attr rmsd < 118.623 and attr rmsd > 117.823 )) >> ( attr rmsd < 1.772 and attr rmsd > 1.692 ) >> 6 6 0 peak 1411 volume 78.40440 ppm1 7.862 ppm2 1.732 >>assi (( attr rmsd < 7.336 and attr rmsd > 7.256 ) >> and bondedto( attr rmsd < 117.763 and attr rmsd > 116.963 )) >> ( attr rmsd < 0.927 and attr rmsd > 0.847 ) >> 6 6 0 peak 1781 volume 33.43070 ppm1 7.296 ppm2 0.887 >>assi (( attr rmsd < 7.361 and attr rmsd > 7.281 ) >> and bondedto( attr rmsd < 115.156 and attr rmsd > 114.356 )) >> ( attr rmsd < 2.308 and attr rmsd > 2.228 ) >> 6 6 0 peak 2331 volume 113.25820 ppm1 7.321 ppm2 2.268 >>assi (( attr rmsd < 8.029 and attr rmsd > 7.949 ) >> and bondedto( attr rmsd < 111.558 and attr rmsd > 110.758 )) >> ( attr rmsd < 0.687 and attr rmsd > 0.607 ) >> 6 6 0 peak 2691 volume 5.94540 ppm1 7.989 ppm2 0.647 >>assi (( attr rmsd < 10.328 and attr rmsd > 10.248 ) >> and bondedto( attr rmsd < 111.067 and attr rmsd > 110.267 )) >> ( attr rmsd < 1.54 and attr rmsd > 1.46 ) >> 6 6 0 peak 2701 volume 176.76250 ppm1 10.288 ppm2 1.500 >>assi (( attr rmsd < 10.331 and attr rmsd > 10.251 ) >> and bondedto( attr rmsd < 111.063 and attr rmsd > 110.263 )) >> ( attr rmsd < 2.253 and attr rmsd > 2.173 ) >> 6 6 0 peak 2721 volume 206.07420 ppm1 10.291 ppm2 2.213 >>assi (( attr rmsd < 10.55 and attr rmsd > 10.47 ) >> and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) >> ( attr rmsd < 2.544 and attr rmsd > 2.464 ) >> 6 6 0 peak 2791 volume 23.01300 ppm1 10.510 ppm2 2.504 >>assi (( attr rmsd < 7.844 and attr rmsd > 7.764 ) >> and bondedto( attr rmsd < 124.028 and attr rmsd > 123.228 )) >> ( attr rmsd < 2.072 and attr rmsd > 1.992 ) >> 6 6 0 peak 3001 volume 36.72410 ppm1 7.804 ppm2 2.032 >>assi (( attr rmsd < 8.036 and attr rmsd > 7.956 ) >> and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 )) >> ( attr rmsd < 2.347 and attr rmsd > 2.267 ) >> 6 6 0 peak 3181 volume 30.57280 ppm1 7.996 ppm2 2.307 >>assi (( attr rmsd < 8.037 and attr rmsd > 7.957 ) >> and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 )) >> ( attr rmsd < 1.6 and attr rmsd > 1.52 ) >> 6 6 0 peak 3211 volume 24.34450 ppm1 7.997 ppm2 1.560 >>assi (( attr rmsd < 7.901 and attr rmsd > 7.821 ) >> and bondedto( attr rmsd < 118.628 and attr rmsd > 117.828 )) >> ( attr rmsd < 2.234 and attr rmsd > 2.154 ) >> 6 6 0 peak 3821 volume 21.51340 ppm1 7.861 ppm2 2.194 >>assi (( attr rmsd < 8.465 and attr rmsd > 8.385 ) >> and bondedto( attr rmsd < 118.773 and attr rmsd > 117.973 )) >> ( attr rmsd < 6.856 and attr rmsd > 6.776 ) >> 6 6 0 peak 3841 volume 15.38440 ppm1 8.425 ppm2 6.816 >>assi (( attr rmsd < 8.079 and attr rmsd > 7.999 ) >> and bondedto( attr rmsd < 115.384 and attr rmsd > 114.584 )) >> ( attr rmsd < 1.793 and attr rmsd > 1.713 ) >> 6 6 0 peak 4371 volume 12.82620 ppm1 8.039 ppm2 1.753 >>assi (( attr rmsd < 7.672 and attr rmsd > 7.592 ) >> and bondedto( attr rmsd < 113.4 and attr rmsd > 112.6 )) >> ( attr rmsd < 9 and attr rmsd > 8.92 ) >> 6 6 0 peak 4461 volume 91.06850 ppm1 7.632 ppm2 8.960 >>assi (( attr rmsd < 8.03 and attr rmsd > 7.95 ) >> and bondedto( attr rmsd < 111.543 and attr rmsd > 110.743 )) >> ( attr rmsd < 0.809 and attr rmsd > 0.729 ) >> 6 6 0 peak 4631 volume 90.81290 ppm1 7.990 ppm2 0.769 >>assi (( attr rmsd < 7.632 and attr rmsd > 7.552 ) >> and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 )) >> ( attr rmsd < 6.87 and attr rmsd > 6.79 ) >> 6 6 0 peak 4651 volume 30.97190 ppm1 7.592 ppm2 6.830 >>assi (( attr rmsd < 6.872 and attr rmsd > 6.792 ) >> and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 )) >> ( attr rmsd < 7.622 and attr rmsd > 7.542 ) >> 6 6 0 peak 4661 volume 245.28819 ppm1 6.832 ppm2 7.582 >>assi (( attr rmsd < 7.471 and attr rmsd > 7.391 ) >> and bondedto( attr rmsd < 110.31 and attr rmsd > 109.51 )) >> ( attr rmsd < 2.499 and attr rmsd > 2.419 ) >> 6 6 0 peak 4691 volume 38.45030 ppm1 7.431 ppm2 2.459 >>assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) >> and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) >> ( attr rmsd < 4.637 and attr rmsd > 4.557 ) >> 6 6 0 peak 4751 volume 13.08370 ppm1 10.511 ppm2 4.597 >>assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) >> and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 )) >> ( attr rmsd < 0.913 and attr rmsd > 0.833 ) >> 6 6 0 peak 4811 volume 64.17920 ppm1 10.508 ppm2 0.873 >>assi (( attr rmsd < 7.328 and attr rmsd > 7.248 ) >> and bondedto( attr rmsd < 125.247 and attr rmsd > 124.447 )) >> ( attr rmsd < 2.021 and attr rmsd > 1.941 ) >> 6 6 0 peak 4911 volume 12.79330 ppm1 7.288 ppm2 1.981 >>assi (( attr rmsd < 8.716 and attr rmsd > 8.636 ) >> and bondedto( attr rmsd < 123.566 and attr rmsd > 122.766 )) >> ( attr rmsd < 0.796 and attr rmsd > 0.716 ) >> 6 6 0 peak 4951 volume 115.77560 ppm1 8.676 ppm2 0.756 >>assi (( attr rmsd < 10.33 and attr rmsd > 10.25 ) >> and bondedto( attr rmsd < 111.069 and attr rmsd > 110.269 )) >> ( attr rmsd < 3.825 and attr rmsd > 3.745 ) >> 6 6 0 peak 5251 volume 28.89420 ppm1 10.290 ppm2 3.785 >>assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) >> and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) >> ( attr rmsd < 6.916 and attr rmsd > 6.836 ) >> 6 6 0 peak 5311 volume 61.64930 ppm1 10.508 ppm2 6.876 >>assi (( attr rmsd < 10.551 and attr rmsd > 10.471 ) >> and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 )) >> ( attr rmsd < 4.431 and attr rmsd > 4.351 ) >> 6 6 0 peak 5321 volume 6.05370 ppm1 10.511 ppm2 4.391 >>assi (( attr rmsd < 7.022 and attr rmsd > 6.942 ) >> and bondedto( attr rmsd < 123.01 and attr rmsd > 122.21 )) >> ( attr rmsd < 1.151 and attr rmsd > 1.071 ) >> 6 6 0 peak 5781 volume 67.56760 ppm1 6.982 ppm2 1.111 >>assi (( attr rmsd < 8.704 and attr rmsd > 8.624 ) >> and bondedto( attr rmsd < 120.33 and attr rmsd > 119.53 )) >> ( attr rmsd < 0.069 and attr rmsd > -0.011 ) >> 6 6 0 peak 6521 volume 8.23810 ppm1 8.664 ppm2 0.029 >>assi (( attr rmsd < 7.902 and attr rmsd > 7.822 ) >> and bondedto( attr rmsd < 118.627 and attr rmsd > 117.827 )) >> ( attr rmsd < 3.451 and attr rmsd > 3.371 ) >> 6 6 0 peak 7051 volume 21.14080 ppm1 7.862 ppm2 3.411 >>assi (( attr rmsd < 6.6 and attr rmsd > 6.52 ) >> and bondedto( attr rmsd < 118.394 and attr rmsd > 117.594 )) >> ( attr rmsd < 1.362 and attr rmsd > 1.282 ) >> 6 6 0 peak 7381 volume 27.17270 ppm1 6.560 ppm2 1.322 >>assi (( attr rmsd < 7.65 and attr rmsd > 7.57 ) >> and bondedto( attr rmsd < 114.38 and attr rmsd > 113.58 )) >> ( attr rmsd < 1.161 and attr rmsd > 1.081 ) >> 6 6 0 peak 8031 volume 47.59140 ppm1 7.610 ppm2 1.121 >>assi (( attr rmsd < 7.574 and attr rmsd > 7.494 ) >> and bondedto( attr rmsd < 111.665 and attr rmsd > 110.865 )) >> ( attr rmsd < 1.192 and attr rmsd > 1.112 ) >> 6 6 0 peak 8271 volume 10.34260 ppm1 7.534 ppm2 1.152 >>assi (( attr rmsd < 10.332 and attr rmsd > 10.252 ) >> and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 )) >> ( attr rmsd < 7.951 and attr rmsd > 7.871 ) >> 6 6 0 peak 8321 volume 36.59740 ppm1 10.292 ppm2 7.911 >>assi (( attr rmsd < 10.327 and attr rmsd > 10.247 ) >> and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 )) >> ( attr rmsd < 2.487 and attr rmsd > 2.407 ) >> 6 6 0 peak 8341 volume 48.26220 ppm1 10.287 ppm2 2.447 >>assi (( attr rmsd < 8.466 and attr rmsd > 8.386 ) >> and bondedto( attr rmsd < 118.772 and attr rmsd > 117.972 )) >> ( attr rmsd < 1.523 and attr rmsd > 1.443 ) >> 6 6 0 peak 8891 volume 38.43850 ppm1 8.426 ppm2 1.483 >>assi (( attr rmsd < 9.17 and attr rmsd > 9.09 ) >> and bondedto( attr rmsd < 120.4 and attr rmsd > 119.6 )) >> ( attr rmsd < 3.321 and attr rmsd > 3.241 ) >> 6 6 0 peak 9491 volume 15.12240 ppm1 9.130 ppm2 3.281 >>assi (( attr rmsd < 8.155 and attr rmsd > 8.075 ) >> and bondedto( attr rmsd < 118.095 and attr rmsd > 117.295 )) >> ( attr rmsd < 1.84 and attr rmsd > 1.76 ) >> 6 6 0 peak 9551 volume 17.64230 ppm1 8.115 ppm2 1.800 >>assi (( attr rmsd < 7.453 and attr rmsd > 7.373 ) >> and bondedto( attr rmsd < 122.3 and attr rmsd > 121.5 )) >> ( attr rmsd < 1.78 and attr rmsd > 1.7 ) >> 6 6 0 peak 9571 volume 28.12840 ppm1 7.413 ppm2 1.740 >>assi (( attr rmsd < 8.549 and attr rmsd > 8.469 ) >> and bondedto( attr rmsd < 113.689 and attr rmsd > 112.889 )) >> ( attr rmsd < 1.599 and attr rmsd > 1.519 ) >> 6 6 0 peak 9991 volume 14.82140 ppm1 8.509 ppm2 1.559 >>assi (( attr rmsd < 8.896 and attr rmsd > 8.816 ) >> and bondedto( attr rmsd < 127.408 and attr rmsd > 126.608 )) >> ( attr rmsd < 0.073 and attr rmsd > -0.007 ) >> 6 6 0 peak 10021 volume 19.70480 ppm1 8.856 ppm2 0.033 >>assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) >> and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) >> ( attr rmsd < 1.174 and attr rmsd > 1.094 ) >> 6 6 0 peak 10031 volume 35.62540 ppm1 10.508 ppm2 1.134 >>assi (( attr rmsd < 10.549 and attr rmsd > 10.469 ) >> and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) >> ( attr rmsd < 0.754 and attr rmsd > 0.674 ) >> 6 6 0 peak 10041 volume 26.17460 ppm1 10.509 ppm2 0.714 >>assi (( attr rmsd < 10.548 and attr rmsd > 10.468 ) >> and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 )) >> ( attr rmsd < 7.068 and attr rmsd > 6.988 ) >> 6 6 0 peak 10051 volume 43.40000 ppm1 10.508 ppm2 7.028 >>assi (( attr rmsd < 8.496 and attr rmsd > 8.416 ) >> and bondedto( attr rmsd < 113.226 and attr rmsd > 112.426 )) >> ( attr rmsd < 0.079 and attr rmsd > -0.001 ) >> 6 6 0 peak 10111 volume 7.60340 ppm1 8.456 ppm2 0.039 >>assi (( attr rmsd < 7.871 and attr rmsd > 7.791 ) >> and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 )) >> ( attr rmsd < 2.111 and attr rmsd > 2.031 ) >> 6 6 0 peak 10151 volume 10.84780 ppm1 7.831 ppm2 2.071 >>assi (( attr rmsd < 7.797 and attr rmsd > 7.717 ) >> and bondedto( attr rmsd < 115.539 and attr rmsd > 114.739 )) >> ( attr rmsd < 1.367 and attr rmsd > 1.287 ) >> 6 6 0 peak 10371 volume 5.63010 ppm1 7.757 ppm2 1.327 >>assi (( attr rmsd < 7.826 and attr rmsd > 7.746 ) >> and bondedto( attr rmsd < 116.001 and attr rmsd > 115.201 )) >> ( attr rmsd < 0.877 and attr rmsd > 0.797 ) >> 6 6 0 peak 10471 volume 7.05940 ppm1 7.786 ppm2 0.837 >>assi (( attr rmsd < 8.188 and attr rmsd > 8.108 ) >> and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 )) >> ( attr rmsd < 0.885 and attr rmsd > 0.805 ) >> 6 6 0 peak 10741 volume 8.85290 ppm1 8.148 ppm2 0.845 >>assi (( attr rmsd < 7.621 and attr rmsd > 7.541 ) >> and bondedto( attr rmsd < 119.315 and attr rmsd > 118.515 )) >> ( attr rmsd < 1.744 and attr rmsd > 1.664 ) >> 6 6 0 peak 10831 volume 13.49640 ppm1 7.581 ppm2 1.704 >>assi (( attr rmsd < 8.942 and attr rmsd > 8.862 ) >> and bondedto( attr rmsd < 121.088 and attr rmsd > 120.288 )) >> ( attr rmsd < 6.853 and attr rmsd > 6.773 ) >> 6 6 0 peak 10981 volume 21.18180 ppm1 8.902 ppm2 6.813 >>assi (( attr rmsd < 6.483 and attr rmsd > 6.403 ) >> and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) >> ( attr rmsd < 3.763 and attr rmsd > 3.683 ) >> 6 6 0 peak 11151 volume 16.48870 ppm1 6.443 ppm2 3.723 >>assi (( attr rmsd < 8.518 and attr rmsd > 8.438 ) >> and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 )) >> ( attr rmsd < 2.039 and attr rmsd > 1.959 ) >> 6 6 0 peak 11271 volume 13.19030 ppm1 8.478 ppm2 1.999 >>assi (( attr rmsd < 8.388 and attr rmsd > 8.308 ) >> and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) >> ( attr rmsd < 4.337 and attr rmsd > 4.257 ) >> 6 6 0 peak 11281 volume 261.85220 ppm1 8.348 ppm2 4.297 >>assi (( attr rmsd < 8.386 and attr rmsd > 8.306 ) >> and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) >> ( attr rmsd < 1.621 and attr rmsd > 1.541 ) >> 6 6 0 peak 11291 volume 20.66160 ppm1 8.346 ppm2 1.581 >>assi (( attr rmsd < 0.128 and attr rmsd > 0.048 ) >> and bondedto( attr rmsd < 4.0966 and attr rmsd > 3.2966 )) >> ( attr rmsd < 0.04 and attr rmsd > -0.04 ) >> 6 6 0 peak 11301 volume 20.66160 ppm1 0.088 ppm2 0.000 >>assi (( attr rmsd < 8.39 and attr rmsd > 8.31 ) >> and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 )) >> ( attr rmsd < 1.429 and attr rmsd > 1.349 ) >> 6 6 0 peak 11311 volume 46.64800 ppm1 8.350 ppm2 1.389 >>assi (( attr rmsd < 7.568 and attr rmsd > 7.488 ) >> and bondedto( attr rmsd < 124.093 and attr rmsd > 123.293 )) >> ( attr rmsd < 2.552 and attr rmsd > 2.472 ) >> 6 6 0 peak 11361 volume 8.86750 ppm1 7.528 ppm2 2.512 >>assi (( attr rmsd < 7.84 and attr rmsd > 7.76 ) >> and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) >> ( attr rmsd < 4.408 and attr rmsd > 4.328 ) >> 6 6 0 peak 11391 volume 26.67490 ppm1 7.800 ppm2 4.368 >>assi (( attr rmsd < 10.329 and attr rmsd > 10.249 ) >> and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 )) >> ( attr rmsd < 4.664 and attr rmsd > 4.584 ) >> 6 6 0 peak 11781 volume 4.98990 ppm1 10.289 ppm2 4.624 >>assi (( attr rmsd < 10.334 and attr rmsd > 10.254 ) >> and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 )) >> ( attr rmsd < 1.866 and attr rmsd > 1.786 ) >> 6 6 0 peak 11791 volume 18.49630 ppm1 10.294 ppm2 1.826 >>assi (( attr rmsd < 7.037 and attr rmsd > 6.957 ) >> and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) >> ( attr rmsd < 0.951 and attr rmsd > 0.871 ) >> 6 6 0 peak 12041 volume 16.98530 ppm1 6.997 ppm2 0.911 >>assi (( attr rmsd < 8.414 and attr rmsd > 8.334 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 2.327 and attr rmsd > 2.247 ) >> 6 6 0 peak 12181 volume 16.28140 ppm1 8.374 ppm2 2.287 >>assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 2.028 and attr rmsd > 1.948 ) >> 6 6 0 peak 12191 volume 39.41860 ppm1 8.376 ppm2 1.988 >>assi (( attr rmsd < 8.417 and attr rmsd > 8.337 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 3.124 and attr rmsd > 3.044 ) >> 6 6 0 peak 12201 volume 12.42290 ppm1 8.377 ppm2 3.084 >>assi (( attr rmsd < 8.415 and attr rmsd > 8.335 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 3.717 and attr rmsd > 3.637 ) >> 6 6 0 peak 12211 volume 8.85710 ppm1 8.375 ppm2 3.677 >>assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 4.147 and attr rmsd > 4.067 ) >> 6 6 0 peak 12221 volume 54.94310 ppm1 8.376 ppm2 4.107 >>assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 4.394 and attr rmsd > 4.314 ) >> 6 6 0 peak 12231 volume 67.97590 ppm1 8.376 ppm2 4.354 >>assi (( attr rmsd < 8.325 and attr rmsd > 8.245 ) >> and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) >> ( attr rmsd < 4.386 and attr rmsd > 4.306 ) >> 6 6 0 peak 12241 volume 115.77530 ppm1 8.285 ppm2 4.346 >>assi (( attr rmsd < 8.326 and attr rmsd > 8.246 ) >> and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) >> ( attr rmsd < 2.03 and attr rmsd > 1.95 ) >> 6 6 0 peak 12251 volume 5.05480 ppm1 8.286 ppm2 1.990 >>assi (( attr rmsd < 8.325 and attr rmsd > 8.245 ) >> and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) >> ( attr rmsd < 1.77 and attr rmsd > 1.69 ) >> 6 6 0 peak 12261 volume 28.94180 ppm1 8.285 ppm2 1.730 >>assi (( attr rmsd < 8.324 and attr rmsd > 8.244 ) >> and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 )) >> ( attr rmsd < 1.625 and attr rmsd > 1.545 ) >> 6 6 0 peak 12271 volume 21.61410 ppm1 8.284 ppm2 1.585 >>assi (( attr rmsd < 8.186 and attr rmsd > 8.106 ) >> and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 )) >> ( attr rmsd < 0.798 and attr rmsd > 0.718 ) >> 6 6 0 peak 12581 volume 11.32460 ppm1 8.146 ppm2 0.758 >>assi (( attr rmsd < 7.483 and attr rmsd > 7.403 ) >> and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 )) >> ( attr rmsd < 1.93 and attr rmsd > 1.85 ) >> 6 6 0 peak 12631 volume 14.32890 ppm1 7.443 ppm2 1.890 >>assi (( attr rmsd < 7.486 and attr rmsd > 7.406 ) >> and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 )) >> ( attr rmsd < 0.699 and attr rmsd > 0.619 ) >> 6 6 0 peak 12651 volume 29.80600 ppm1 7.446 ppm2 0.659 >>assi (( attr rmsd < 7.514 and attr rmsd > 7.434 ) >> and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 )) >> ( attr rmsd < 0.935 and attr rmsd > 0.855 ) >> 6 6 0 peak 12741 volume 12.70280 ppm1 7.474 ppm2 0.895 >>assi (( attr rmsd < 7.52 and attr rmsd > 7.44 ) >> and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 )) >> ( attr rmsd < 0.802 and attr rmsd > 0.722 ) >> 6 6 0 peak 12751 volume 7.13170 ppm1 7.480 ppm2 0.762 >>assi (( attr rmsd < 7.081 and attr rmsd > 7.001 ) >> and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 )) >> ( attr rmsd < 0.902 and attr rmsd > 0.822 ) >> 6 6 0 peak 12791 volume 8.50100 ppm1 7.041 ppm2 0.862 >>assi (( attr rmsd < 7.937 and attr rmsd > 7.857 ) >> and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 )) >> ( attr rmsd < 0.593 and attr rmsd > 0.513 ) >> 6 6 0 peak 13031 volume 8.47820 ppm1 7.897 ppm2 0.553 >>assi (( attr rmsd < 7.87 and attr rmsd > 7.79 ) >> and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 )) >> ( attr rmsd < 1.094 and attr rmsd > 1.014 ) >> 6 6 0 peak 13051 volume 9.79850 ppm1 7.830 ppm2 1.054 >>assi (( attr rmsd < 8.469 and attr rmsd > 8.389 ) >> and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 )) >> ( attr rmsd < 2.964 and attr rmsd > 2.884 ) >> 6 6 0 peak 13711 volume 14.22970 ppm1 8.429 ppm2 2.924 >>assi (( attr rmsd < 8.468 and attr rmsd > 8.388 ) >> and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 )) >> ( attr rmsd < 1.775 and attr rmsd > 1.695 ) >> 6 6 0 peak 13731 volume 18.26900 ppm1 8.428 ppm2 1.735 >>assi (( attr rmsd < 8.04 and attr rmsd > 7.96 ) >> and bondedto( attr rmsd < 122.552 and attr rmsd > 121.752 )) >> ( attr rmsd < -0.53 and attr rmsd > -0.61 ) >> 6 6 0 peak 13751 volume 2.51810 ppm1 8.000 ppm2 -0.570 >>assi (( attr rmsd < 8.664 and attr rmsd > 8.584 ) >> and bondedto( attr rmsd < 122.86 and attr rmsd > 122.06 )) >> ( attr rmsd < 2.173 and attr rmsd > 2.093 ) >> 6 6 0 peak 13921 volume 4.63130 ppm1 8.624 ppm2 2.133 >>assi (( attr rmsd < 7.469 and attr rmsd > 7.389 ) >> and bondedto( attr rmsd < 110.298 and attr rmsd > 109.498 )) >> ( attr rmsd < 1.577 and attr rmsd > 1.497 ) >> 6 6 0 peak 14231 volume 8.32270 ppm1 7.429 ppm2 1.537 >>assi (( attr rmsd < 8.415 and attr rmsd > 8.335 ) >> and bondedto( attr rmsd < 115.153 and attr rmsd > 114.353 )) >> ( attr rmsd < 6.843 and attr rmsd > 6.763 ) >> 6 6 0 peak 14261 volume 6.44600 ppm1 8.375 ppm2 6.803 >>assi (( attr rmsd < 7.709 and attr rmsd > 7.629 ) >> and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 )) >> ( attr rmsd < 7.146 and attr rmsd > 7.066 ) >> 6 6 0 peak 14321 volume 16.62530 ppm1 7.669 ppm2 7.106 >>assi (( attr rmsd < 7.708 and attr rmsd > 7.628 ) >> and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 )) >> ( attr rmsd < 7.43 and attr rmsd > 7.35 ) >> 6 6 0 peak 14331 volume 17.09620 ppm1 7.668 ppm2 7.390 >>assi (( attr rmsd < 7.962 and attr rmsd > 7.882 ) >> and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) >> ( attr rmsd < 1.187 and attr rmsd > 1.107 ) >> 6 6 0 peak 14371 volume 11.53690 ppm1 7.922 ppm2 1.147 >>assi (( attr rmsd < 7.972 and attr rmsd > 7.892 ) >> and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) >> ( attr rmsd < 1.334 and attr rmsd > 1.254 ) >> 6 6 0 peak 14381 volume 7.23240 ppm1 7.932 ppm2 1.294 >>assi (( attr rmsd < 7.963 and attr rmsd > 7.883 ) >> and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) >> ( attr rmsd < 1.472 and attr rmsd > 1.392 ) >> 6 6 0 peak 14391 volume 19.66430 ppm1 7.923 ppm2 1.432 >>assi (( attr rmsd < 7.362 and attr rmsd > 7.282 ) >> and bondedto( attr rmsd < 119.546 and attr rmsd > 118.746 )) >> ( attr rmsd < 1.558 and attr rmsd > 1.478 ) >> 6 6 0 peak 14511 volume 6.16190 ppm1 7.322 ppm2 1.518 >>assi (( attr rmsd < 8.482 and attr rmsd > 8.402 ) >> and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 )) >> ( attr rmsd < 2.106 and attr rmsd > 2.026 ) >> 6 6 0 peak 14561 volume 5.72980 ppm1 8.442 ppm2 2.066 >>assi (( attr rmsd < 8.963 and attr rmsd > 8.883 ) >> and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 )) >> ( attr rmsd < 6.681 and attr rmsd > 6.601 ) >> 6 6 0 peak 14741 volume 8.26940 ppm1 8.923 ppm2 6.641 >>assi (( attr rmsd < 8.969 and attr rmsd > 8.889 ) >> and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 )) >> ( attr rmsd < 3.731 and attr rmsd > 3.651 ) >> 6 6 0 peak 14751 volume 3.95870 ppm1 8.929 ppm2 3.691 >>assi (( attr rmsd < 7.352 and attr rmsd > 7.272 ) >> and bondedto( attr rmsd < 121.854 and attr rmsd > 121.054 )) >> ( attr rmsd < 7.049 and attr rmsd > 6.969 ) >> 6 6 0 peak 14851 volume 18.22780 ppm1 7.312 ppm2 7.009 >>assi (( attr rmsd < 8.835 and attr rmsd > 8.755 ) >> and bondedto( attr rmsd < 118.467 and attr rmsd > 117.667 )) >> ( attr rmsd < 7.165 and attr rmsd > 7.085 ) >> 6 6 0 peak 15021 volume 4.27980 ppm1 8.795 ppm2 7.125 >>assi (( attr rmsd < 7.211 and attr rmsd > 7.131 ) >> and bondedto( attr rmsd < 118.159 and attr rmsd > 117.359 )) >> ( attr rmsd < 6.886 and attr rmsd > 6.806 ) >> 6 6 0 peak 15111 volume 6.69000 ppm1 7.171 ppm2 6.846 >>assi (( attr rmsd < 9.214 and attr rmsd > 9.134 ) >> and bondedto( attr rmsd < 121.781 and attr rmsd > 120.981 )) >> ( attr rmsd < 8.956 and attr rmsd > 8.876 ) >> 6 6 0 peak 15151 volume 3.33130 ppm1 9.174 ppm2 8.916 >>assi (( attr rmsd < 8.584 and attr rmsd > 8.504 ) >> and bondedto( attr rmsd < 120.548 and attr rmsd > 119.748 )) >> ( attr rmsd < 0.068 and attr rmsd > -0.012 ) >> 6 6 0 peak 15231 volume 4.98200 ppm1 8.544 ppm2 0.028 >>assi (( attr rmsd < 7.838 and attr rmsd > 7.758 ) >> and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 )) >> ( attr rmsd < 2.275 and attr rmsd > 2.195 ) >> 6 6 0 peak 15321 volume 14.01490 ppm1 7.798 ppm2 2.235 >>assi (( attr rmsd < 7.83 and attr rmsd > 7.75 ) >> and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 )) >> ( attr rmsd < 1.128 and attr rmsd > 1.048 ) >> 6 6 0 peak 15341 volume 7.00870 ppm1 7.790 ppm2 1.088 >>assi (( attr rmsd < 8.005 and attr rmsd > 7.925 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 2.544 and attr rmsd > 2.464 ) >> 6 6 0 peak 15431 volume 6.46240 ppm1 7.965 ppm2 2.504 >>assi (( attr rmsd < 8.869 and attr rmsd > 8.789 ) >> and bondedto( attr rmsd < 118.082 and attr rmsd > 117.282 )) >> ( attr rmsd < 7.245 and attr rmsd > 7.165 ) >> 6 6 0 peak 15581 volume 4.73460 ppm1 8.829 ppm2 7.205 >>assi (( attr rmsd < 8.479 and attr rmsd > 8.399 ) >> and bondedto( attr rmsd < 125.866 and attr rmsd > 125.066 )) >> ( attr rmsd < 2.639 and attr rmsd > 2.559 ) >> 6 6 0 peak 15811 volume 6.71270 ppm1 8.439 ppm2 2.599 >>assi (( attr rmsd < 8.858 and attr rmsd > 8.778 ) >> and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 )) >> ( attr rmsd < 2.234 and attr rmsd > 2.154 ) >> 6 6 0 peak 15881 volume 3.60660 ppm1 8.818 ppm2 2.194 >>assi (( attr rmsd < 8.554 and attr rmsd > 8.474 ) >> and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) >> ( attr rmsd < 1.798 and attr rmsd > 1.718 ) >> 6 6 0 peak 16051 volume 58.92410 ppm1 8.514 ppm2 1.758 >>assi (( attr rmsd < 8.553 and attr rmsd > 8.473 ) >> and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 )) >> ( attr rmsd < 4.36 and attr rmsd > 4.28 ) >> 6 6 0 peak 16061 volume 71.19800 ppm1 8.513 ppm2 4.320 >>assi (( attr rmsd < 7.08 and attr rmsd > 7 ) >> and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 )) >> ( attr rmsd < 0.83 and attr rmsd > 0.75 ) >> 6 6 0 peak 16091 volume 5.60460 ppm1 7.040 ppm2 0.790 >>assi (( attr rmsd < 8.068 and attr rmsd > 7.988 ) >> and bondedto( attr rmsd < 114.228 and attr rmsd > 113.428 )) >> ( attr rmsd < 0.826 and attr rmsd > 0.746 ) >> 6 6 0 peak 16101 volume 6.65570 ppm1 8.028 ppm2 0.786 >>assi (( attr rmsd < 7.326 and attr rmsd > 7.246 ) >> and bondedto( attr rmsd < 125.25 and attr rmsd > 124.45 )) >> ( attr rmsd < 1.953 and attr rmsd > 1.873 ) >> 6 6 0 peak 16271 volume 2.73220 ppm1 7.286 ppm2 1.913 >>assi (( attr rmsd < 6.593 and attr rmsd > 6.513 ) >> and bondedto( attr rmsd < 118.39 and attr rmsd > 117.59 )) >> ( attr rmsd < 0.577 and attr rmsd > 0.497 ) >> 6 6 0 peak 16851 volume 5.54890 ppm1 6.553 ppm2 0.537 >>assi (( attr rmsd < 7.648 and attr rmsd > 7.568 ) >> and bondedto( attr rmsd < 112.995 and attr rmsd > 112.195 )) >> ( attr rmsd < 1.427 and attr rmsd > 1.347 ) >> 6 6 0 peak 16951 volume 4.17780 ppm1 7.608 ppm2 1.387 >>assi (( attr rmsd < 8.478 and attr rmsd > 8.398 ) >> and bondedto( attr rmsd < 119.469 and attr rmsd > 118.669 )) >> ( attr rmsd < 6.691 and attr rmsd > 6.611 ) >> 6 6 0 peak 17001 volume 6.96000 ppm1 8.438 ppm2 6.651 >>assi (( attr rmsd < 7.637 and attr rmsd > 7.557 ) >> and bondedto( attr rmsd < 112.07 and attr rmsd > 111.27 )) >> ( attr rmsd < 2.266 and attr rmsd > 2.186 ) >> 6 6 0 peak 17181 volume 30.15600 ppm1 7.597 ppm2 2.226 >>assi (( attr rmsd < 7.035 and attr rmsd > 6.955 ) >> and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 )) >> ( attr rmsd < 1.687 and attr rmsd > 1.607 ) >> 6 6 0 peak 17311 volume 5.79240 ppm1 6.995 ppm2 1.647 >>assi (( attr rmsd < 8.422 and attr rmsd > 8.342 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 2.875 and attr rmsd > 2.795 ) >> 6 6 0 peak 17411 volume 3.64730 ppm1 8.382 ppm2 2.835 >>assi (( attr rmsd < 8.416 and attr rmsd > 8.336 ) >> and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 )) >> ( attr rmsd < 2.154 and attr rmsd > 2.074 ) >> 6 6 0 peak 17421 volume 39.31670 ppm1 8.376 ppm2 2.114 >>assi (( attr rmsd < 7.36 and attr rmsd > 7.28 ) >> and bondedto( attr rmsd < 124.171 and attr rmsd > 123.371 )) >> ( attr rmsd < 4.533 and attr rmsd > 4.453 ) >> 6 6 0 peak 17451 volume 4.43470 ppm1 7.320 ppm2 4.493 >>; >> >>save_ >> ; save_