data_10004 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the 2'-5' RNA ligase-like protein from Pyrococcus furiosus ; _BMRB_accession_number 10004 _BMRB_flat_file_name bmr10004.str _Entry_type original _Submission_date 2005-10-05 _Accession_date 2005-10-05 _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 Okada Kiyoshi . . 2 Matsuda Takashi . . 3 Sakamoto Taiichi . . 4 Muto Yutaka . . 5 Yokoyama Shigeyuki . . 6 Kanai Akio . . 7 Kawai Gota . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1202 "13C chemical shifts" 898 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation, etc.' 2006-04-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of the 2'-5' RNA ligase-like protein from Pyrococcus furiosus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16456701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okada Kiyoshi . . 2 Matsuda Takashi . . 3 Sakamoto Taiichi . . 4 Muto Yutaka . . 5 Yokoyama Shigeyuki . . 6 Kanai Akio . . 7 Kawai Gota . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16 _Page_last 16 _Year 2006 _Details . loop_ _Keyword "2'-5' RNA ligase" 'HXTX motif' 'NMR assignment' 'tRNA splicing' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "2'-5' RNA ligase-like protein" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "2'-5' RNA ligase-like protein" $RNA_lig_like stop_ _System_molecular_weight 21793 _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_lig_like _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "2'-5' RNA ligase-like protein" _Molecular_mass 21793 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MRAFIAIDVSESVRDALVRA QDYIGSKEAKIKFVERENFH ITLKFLGEITEEQAEEIKKI LEKIAKKYKKHEVNVRGIGV FPNPNYVRVIWAGVENDEII KKIAKEIDDELAKLGFKKEG NFVAHITLGRVKFVKDKLGL AMKLKELANEDFGSFIVEAI ELKKSTLTPKGPIYETLARF ELSEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ALA 4 PHE 5 ILE 6 ALA 7 ILE 8 ASP 9 VAL 10 SER 11 GLU 12 SER 13 VAL 14 ARG 15 ASP 16 ALA 17 LEU 18 VAL 19 ARG 20 ALA 21 GLN 22 ASP 23 TYR 24 ILE 25 GLY 26 SER 27 LYS 28 GLU 29 ALA 30 LYS 31 ILE 32 LYS 33 PHE 34 VAL 35 GLU 36 ARG 37 GLU 38 ASN 39 PHE 40 HIS 41 ILE 42 THR 43 LEU 44 LYS 45 PHE 46 LEU 47 GLY 48 GLU 49 ILE 50 THR 51 GLU 52 GLU 53 GLN 54 ALA 55 GLU 56 GLU 57 ILE 58 LYS 59 LYS 60 ILE 61 LEU 62 GLU 63 LYS 64 ILE 65 ALA 66 LYS 67 LYS 68 TYR 69 LYS 70 LYS 71 HIS 72 GLU 73 VAL 74 ASN 75 VAL 76 ARG 77 GLY 78 ILE 79 GLY 80 VAL 81 PHE 82 PRO 83 ASN 84 PRO 85 ASN 86 TYR 87 VAL 88 ARG 89 VAL 90 ILE 91 TRP 92 ALA 93 GLY 94 VAL 95 GLU 96 ASN 97 ASP 98 GLU 99 ILE 100 ILE 101 LYS 102 LYS 103 ILE 104 ALA 105 LYS 106 GLU 107 ILE 108 ASP 109 ASP 110 GLU 111 LEU 112 ALA 113 LYS 114 LEU 115 GLY 116 PHE 117 LYS 118 LYS 119 GLU 120 GLY 121 ASN 122 PHE 123 VAL 124 ALA 125 HIS 126 ILE 127 THR 128 LEU 129 GLY 130 ARG 131 VAL 132 LYS 133 PHE 134 VAL 135 LYS 136 ASP 137 LYS 138 LEU 139 GLY 140 LEU 141 ALA 142 MET 143 LYS 144 LEU 145 LYS 146 GLU 147 LEU 148 ALA 149 ASN 150 GLU 151 ASP 152 PHE 153 GLY 154 SER 155 PHE 156 ILE 157 VAL 158 GLU 159 ALA 160 ILE 161 GLU 162 LEU 163 LYS 164 LYS 165 SER 166 THR 167 LEU 168 THR 169 PRO 170 LYS 171 GLY 172 PRO 173 ILE 174 TYR 175 GLU 176 THR 177 LEU 178 ALA 179 ARG 180 PHE 181 GLU 182 LEU 183 SER 184 GLU 185 HIS 186 HIS 187 HIS 188 HIS 189 HIS 190 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 PDB 2FYH "Solution Structure Of The 2'-5' Rna Ligase-Like Protein From Pyrococcus Furiosus" 100.00 190 100.00 100.00 1.26e-130 GB AAL80151 "putative integral membrane transport protein [Pyrococcus furiosus DSM 3638]" 96.84 184 100.00 100.00 1.15e-124 GB AFN04547 "2'-5' RNA ligase [Pyrococcus furiosus COM1]" 96.84 184 100.00 100.00 1.15e-124 REF WP_011011139 "hypothetical protein [Pyrococcus furiosus]" 96.84 184 100.00 100.00 1.15e-124 SP Q8U4Q3 "RecName: Full=RNA 2',3'-cyclic phosphodiesterase; Short=RNA 2',3'-CPDase" 96.84 184 100.00 100.00 1.15e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Fraction _Gene_mnemonic $RNA_lig_like 'Pyrococcus furiosus' 186497 Archaea . Pyrococcus 'Pyrococcus furiosus' DSM3638 no pf0027 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 $RNA_lig_like 'recombinant technology' E.coli . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pf0027_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_lig_like 1.1 mM '[U-13C; U-15N]' 'hydrochloric acid' 1.0 mM . 'sodium chloride' 200 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $pf0027_1 save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $pf0027_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $pf0027_1 save_ save_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $pf0027_1 save_ save_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $pf0027_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $pf0027_1 save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $pf0027_1 save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $pf0027_1 save_ save_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $pf0027_1 save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $pf0027_1 save_ save_H(CCCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label $pf0027_1 save_ save_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $pf0027_1 save_ save_HNCB_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _Sample_label $pf0027_1 save_ save_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H-13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCOCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCB _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.7 0.1 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_pf27 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '1H-13C HSQC' HNCO HNCACO HNCOCA HNCA CBCACONH HNCACB CC(CO)NH HCCH-TOCSY H(CCCO)NH HCCH-COSY HNCB stop_ loop_ _Sample_label $pf0027_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name "2'-5' RNA ligase-like protein" _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 1 1 MET HA H 4.327 0.02 5 2 1 1 MET HB2 H 2.34 0.02 2 3 1 1 MET HB3 H 2.111 0.02 2 4 1 1 MET HG2 H 2.475 0.02 2 5 1 1 MET HG3 H 2.323 0.02 2 6 1 1 MET HE H 1.97 0.02 1 7 1 1 MET C C 175.333 0.3 1 8 1 1 MET CA C 54.748 0.3 5 9 1 1 MET CB C 33.471 0.3 1 10 1 1 MET CG C 30.377 0.3 1 11 1 1 MET CE C 17.548 0.3 1 12 2 2 ARG H H 9.363 0.02 1 13 2 2 ARG HA H 4.721 0.02 1 14 2 2 ARG HB2 H 2.136 0.02 1 15 2 2 ARG HB3 H 2.091 0.02 1 16 2 2 ARG HG2 H 1.646 0.02 2 17 2 2 ARG HG3 H 1.772 0.02 2 18 2 2 ARG HD2 H 3.41 0.02 1 19 2 2 ARG HD3 H 3.41 0.02 1 20 2 2 ARG CA C 56.087 0.3 1 21 2 2 ARG CB C 30.486 0.3 1 22 2 2 ARG CG C 28.362 0.3 1 23 2 2 ARG CD C 43.662 0.3 1 24 2 2 ARG N N 127.162 0.3 1 25 3 3 ALA H H 8.337 0.02 1 26 3 3 ALA HA H 5.766 0.02 1 27 3 3 ALA HB H 1.201 0.02 1 28 3 3 ALA C C 175.788 0.3 1 29 3 3 ALA CA C 50.602 0.3 1 30 3 3 ALA CB C 24.634 0.3 1 31 3 3 ALA N N 125.863 0.3 1 32 4 4 PHE H H 8.675 0.02 1 33 4 4 PHE HA H 4.849 0.02 1 34 4 4 PHE HB2 H 3.084 0.02 2 35 4 4 PHE HB3 H 3.377 0.02 2 36 4 4 PHE HD1 H 6.791 0.02 1 37 4 4 PHE HD2 H 6.791 0.02 1 38 4 4 PHE HE1 H 6.403 0.02 1 39 4 4 PHE HE2 H 6.403 0.02 1 40 4 4 PHE HZ H 5.561 0.02 1 41 4 4 PHE C C 171.289 0.3 1 42 4 4 PHE CA C 56.371 0.3 1 43 4 4 PHE CB C 41.34 0.3 1 44 4 4 PHE CD1 C 132.027 0.3 1 45 4 4 PHE CD2 C 132.027 0.3 1 46 4 4 PHE CE1 C 130.617 0.3 1 47 4 4 PHE CE2 C 130.617 0.3 1 48 4 4 PHE CZ C 129.292 0.3 1 49 4 4 PHE N N 113.082 0.3 1 50 5 5 ILE H H 9.027 0.02 1 51 5 5 ILE HA H 5.177 0.02 1 52 5 5 ILE HB H 1.601 0.02 1 53 5 5 ILE HG12 H 1.599 0.02 1 54 5 5 ILE HG13 H 0.829 0.02 1 55 5 5 ILE HG2 H 0.918 0.02 1 56 5 5 ILE HD1 H 0.775 0.02 1 57 5 5 ILE C C 176.02 0.3 1 58 5 5 ILE CA C 59.937 0.3 1 59 5 5 ILE CB C 39.518 0.3 1 60 5 5 ILE CG1 C 28.357 0.3 1 61 5 5 ILE CG2 C 18.782 0.3 1 62 5 5 ILE CD1 C 15.511 0.3 1 63 5 5 ILE N N 120.369 0.3 1 64 6 6 ALA H H 9.55 0.02 1 65 6 6 ALA HA H 5.673 0.02 1 66 6 6 ALA HB H 1.281 0.02 1 67 6 6 ALA C C 174.359 0.3 1 68 6 6 ALA CA C 51.203 0.3 1 69 6 6 ALA CB C 26.045 0.3 1 70 6 6 ALA N N 131.19 0.3 1 71 7 7 ILE H H 8.772 0.02 1 72 7 7 ILE HA H 4.517 0.02 1 73 7 7 ILE HB H 1.723 0.02 1 74 7 7 ILE HG12 H 1.706 0.02 2 75 7 7 ILE HG13 H 1.572 0.02 2 76 7 7 ILE HG2 H 1.389 0.02 1 77 7 7 ILE HD1 H 0.932 0.02 1 78 7 7 ILE C C 175.317 0.3 1 79 7 7 ILE CA C 60.931 0.3 1 80 7 7 ILE CB C 43.102 0.3 1 81 7 7 ILE CG1 C 27.777 0.3 1 82 7 7 ILE CG2 C 18.094 0.3 1 83 7 7 ILE CD1 C 15.43 0.3 1 84 7 7 ILE N N 118.174 0.3 1 85 8 8 ASP H H 9.091 0.02 1 86 8 8 ASP HA H 4.957 0.02 1 87 8 8 ASP HB2 H 2.559 0.02 1 88 8 8 ASP HB3 H 2.668 0.02 1 89 8 8 ASP C C 175.257 0.3 1 90 8 8 ASP CA C 54.524 0.3 1 91 8 8 ASP CB C 42.166 0.3 1 92 8 8 ASP N N 129.221 0.3 1 93 9 9 VAL H H 6.666 0.02 1 94 9 9 VAL HA H 3.524 0.02 1 95 9 9 VAL HB H 1.291 0.02 1 96 9 9 VAL HG1 H 0.468 0.02 1 97 9 9 VAL HG2 H 0.647 0.02 1 98 9 9 VAL C C 174.324 0.3 1 99 9 9 VAL CA C 59.039 0.3 1 100 9 9 VAL CB C 33.046 0.3 1 101 9 9 VAL CG1 C 21.302 0.3 1 102 9 9 VAL CG2 C 19.562 0.3 1 103 9 9 VAL N N 109.557 0.3 1 104 10 10 SER H H 8.441 0.02 1 105 10 10 SER HA H 4.496 0.02 1 106 10 10 SER HB2 H 4.066 0.02 1 107 10 10 SER HB3 H 4.066 0.02 1 108 10 10 SER HG H 5.324 0.02 1 109 10 10 SER C C 174.914 0.3 1 110 10 10 SER CB C 65.582 0.3 1 111 11 11 GLU H H 8.924 0.02 1 112 11 11 GLU HA H 3.894 0.02 1 113 11 11 GLU HB2 H 2.173 0.02 1 114 11 11 GLU HB3 H 2.173 0.02 1 115 11 11 GLU HG2 H 2.488 0.02 5 116 11 11 GLU HG3 H 2.488 0.02 5 117 11 11 GLU C C 178.032 0.3 1 118 11 11 GLU CA C 59.854 0.3 1 119 11 11 GLU CB C 29.342 0.3 1 120 11 11 GLU CG C 35.678 0.3 5 121 11 11 GLU N N 120.556 0.3 1 122 12 12 SER H H 8.439 0.02 1 123 12 12 SER HA H 4.322 0.02 1 124 12 12 SER HB2 H 4.04 0.02 1 125 12 12 SER HB3 H 4.04 0.02 1 126 12 12 SER HG H 5.293 0.02 1 127 12 12 SER C C 177.914 0.3 1 128 12 12 SER CA C 61.636 0.3 1 129 12 12 SER CB C 62.316 0.3 1 130 12 12 SER N N 112.69 0.3 1 131 13 13 VAL H H 7.204 0.02 1 132 13 13 VAL HA H 3.996 0.02 1 133 13 13 VAL HB H 1.841 0.02 1 134 13 13 VAL HG1 H 0.994 0.02 1 135 13 13 VAL HG2 H 0.689 0.02 1 136 13 13 VAL C C 177.524 0.3 1 137 13 13 VAL CA C 65.781 0.3 1 138 13 13 VAL CB C 31.651 0.3 1 139 13 13 VAL CG1 C 23.219 0.3 1 140 13 13 VAL CG2 C 21.271 0.3 1 141 13 13 VAL N N 123.479 0.3 1 142 14 14 ARG H H 8.172 0.02 1 143 14 14 ARG HA H 3.799 0.02 1 144 14 14 ARG HB2 H 1.848 0.02 2 145 14 14 ARG HB3 H 2.21 0.02 2 146 14 14 ARG HG2 H 1.641 0.02 2 147 14 14 ARG HG3 H 2.129 0.02 2 148 14 14 ARG HD2 H 3.105 0.02 2 149 14 14 ARG HD3 H 3.389 0.02 2 150 14 14 ARG HE H 7.071 0.02 1 151 14 14 ARG C C 177.993 0.3 1 152 14 14 ARG CA C 60.902 0.3 1 153 14 14 ARG CB C 29.621 0.3 1 154 14 14 ARG CG C 28.39 0.3 1 155 14 14 ARG CD C 43.645 0.3 1 156 14 14 ARG N N 119.035 0.3 1 157 15 15 ASP H H 8.152 0.02 1 158 15 15 ASP HA H 4.408 0.02 1 159 15 15 ASP HB2 H 2.907 0.02 5 160 15 15 ASP HB3 H 2.745 0.02 2 161 15 15 ASP C C 178.642 0.3 1 162 15 15 ASP CA C 57.533 0.3 1 163 15 15 ASP CB C 40.207 0.3 5 164 15 15 ASP N N 116.399 0.3 1 165 16 16 ALA H H 7.647 0.02 1 166 16 16 ALA HA H 4.218 0.02 1 167 16 16 ALA HB H 1.876 0.02 1 168 16 16 ALA C C 180.594 0.3 1 169 16 16 ALA CA C 55.188 0.3 1 170 16 16 ALA CB C 19.643 0.3 1 171 16 16 ALA N N 123.118 0.3 1 172 17 17 LEU H H 8.335 0.02 5 173 17 17 LEU HA H 3.652 0.02 1 174 17 17 LEU HB2 H 1.314 0.02 1 175 17 17 LEU HB3 H 0.323 0.02 1 176 17 17 LEU HG H 1.452 0.02 1 177 17 17 LEU HD1 H -0.34 0.02 1 178 17 17 LEU HD2 H -0.138 0.02 1 179 17 17 LEU C C 179.637 0.3 1 180 17 17 LEU CA C 57.441 0.3 1 181 17 17 LEU CB C 40.884 0.3 1 182 17 17 LEU CG C 25.419 0.3 1 183 17 17 LEU CD1 C 20.939 0.3 1 184 17 17 LEU CD2 C 25.519 0.3 1 185 17 17 LEU N N 119.929 0.3 5 186 18 18 VAL H H 8.216 0.02 1 187 18 18 VAL HA H 4.102 0.02 1 188 18 18 VAL HB H 2.269 0.02 1 189 18 18 VAL HG1 H 1.331 0.02 1 190 18 18 VAL HG2 H 1.045 0.02 1 191 18 18 VAL C C 178.67 0.3 1 192 18 18 VAL CA C 66.08 0.3 1 193 18 18 VAL CB C 31.586 0.3 1 194 18 18 VAL CG1 C 23.089 0.3 1 195 18 18 VAL CG2 C 21.663 0.3 1 196 18 18 VAL N N 121.004 0.3 1 197 19 19 ARG H H 7.532 0.02 1 198 19 19 ARG HA H 4.143 0.02 1 199 19 19 ARG HB2 H 2.13 0.02 2 200 19 19 ARG HB3 H 1.983 0.02 2 201 19 19 ARG HG2 H 1.694 0.02 1 202 19 19 ARG HG3 H 1.98 0.02 1 203 19 19 ARG HD2 H 3.371 0.02 1 204 19 19 ARG HD3 H 3.285 0.02 1 205 19 19 ARG HE H 7.331 0.02 1 206 19 19 ARG C C 179.939 0.3 1 207 19 19 ARG CA C 60.053 0.3 1 208 19 19 ARG CB C 29.761 0.3 1 209 19 19 ARG CG C 28.333 0.3 1 210 19 19 ARG CD C 43.779 0.3 1 211 19 19 ARG N N 118.328 0.3 1 212 20 20 ALA H H 7.526 0.02 1 213 20 20 ALA HA H 4.306 0.02 1 214 20 20 ALA HB H 1.522 0.02 1 215 20 20 ALA C C 179.452 0.3 1 216 20 20 ALA CA C 55.277 0.3 1 217 20 20 ALA CB C 18.114 0.3 1 218 20 20 ALA N N 122.082 0.3 1 219 21 21 GLN H H 7.937 0.02 1 220 21 21 GLN HA H 3.48 0.02 1 221 21 21 GLN HB2 H 2.508 0.02 1 222 21 21 GLN HB3 H 0.503 0.02 1 223 21 21 GLN HG2 H 2.882 0.02 1 224 21 21 GLN HG3 H 1.801 0.02 1 225 21 21 GLN HE21 H 7.647 0.02 2 226 21 21 GLN HE22 H 8.375 0.02 2 227 21 21 GLN C C 178.269 0.3 1 228 21 21 GLN CA C 59.384 0.3 1 229 21 21 GLN CB C 27.939 0.3 1 230 21 21 GLN CG C 34.819 0.3 1 231 21 21 GLN N N 116.792 0.3 1 232 21 21 GLN NE2 N 113.399 0.3 1 233 22 22 ASP H H 8.431 0.02 1 234 22 22 ASP HA H 4.24 0.02 1 235 22 22 ASP HB2 H 2.845 0.02 1 236 22 22 ASP HB3 H 2.76 0.02 1 237 22 22 ASP C C 177.619 0.3 1 238 22 22 ASP CA C 56.292 0.3 1 239 22 22 ASP CB C 39.455 0.3 1 240 22 22 ASP N N 118.482 0.3 1 241 23 23 TYR H H 7.893 0.02 1 242 23 23 TYR HA H 4.208 0.02 1 243 23 23 TYR HB2 H 3.288 0.02 1 244 23 23 TYR HB3 H 3.222 0.02 1 245 23 23 TYR HD1 H 7.08 0.02 1 246 23 23 TYR HD2 H 7.08 0.02 1 247 23 23 TYR HE1 H 6.885 0.02 3 248 23 23 TYR HE2 H 6.885 0.02 3 249 23 23 TYR C C 177.808 0.3 1 250 23 23 TYR CA C 60.753 0.3 1 251 23 23 TYR CB C 38.538 0.3 1 252 23 23 TYR CD1 C 133.1 0.3 1 253 23 23 TYR CD2 C 133.1 0.3 1 254 23 23 TYR CE1 C 118.27 0.3 1 255 23 23 TYR CE2 C 118.27 0.3 1 256 23 23 TYR N N 120.62 0.3 1 257 24 24 ILE H H 8.051 0.02 1 258 24 24 ILE HA H 3.32 0.02 1 259 24 24 ILE HB H 2.099 0.02 1 260 24 24 ILE HG12 H 0.712 0.02 1 261 24 24 ILE HG13 H 2.131 0.02 1 262 24 24 ILE HG2 H 1.023 0.02 1 263 24 24 ILE HD1 H 0.795 0.02 1 264 24 24 ILE C C 177.672 0.3 1 265 24 24 ILE CA C 66.367 0.3 1 266 24 24 ILE CB C 38.746 0.3 1 267 24 24 ILE CG1 C 29.737 0.3 1 268 24 24 ILE CG2 C 17.521 0.3 1 269 24 24 ILE CD1 C 13.443 0.3 1 270 24 24 ILE N N 119.955 0.3 1 271 25 25 GLY H H 8.58 0.02 1 272 25 25 GLY HA2 H 4.03 0.02 1 273 25 25 GLY HA3 H 4.03 0.02 1 274 25 25 GLY C C 174.143 0.3 1 275 25 25 GLY CA C 46.271 0.3 1 276 25 25 GLY N N 105.64 0.3 1 277 26 26 SER H H 8.423 0.02 1 278 26 26 SER HA H 5.5 0.02 1 279 26 26 SER HB2 H 4.064 0.02 2 280 26 26 SER HB3 H 4.017 0.02 2 281 26 26 SER C C 175.427 0.3 1 282 26 26 SER CA C 57.288 0.3 1 283 26 26 SER CB C 65.563 0.3 1 284 26 26 SER N N 113.41 0.3 1 285 27 27 LYS H H 8.704 0.02 1 286 27 27 LYS HA H 4.17 0.02 1 287 27 27 LYS HB2 H 1.901 0.02 2 288 27 27 LYS HB3 H 1.849 0.02 2 289 27 27 LYS HG2 H 1.527 0.02 2 290 27 27 LYS HG3 H 1.401 0.02 2 291 27 27 LYS HD2 H 1.735 0.02 1 292 27 27 LYS HE2 H 3.052 0.02 2 293 27 27 LYS HE3 H 2.912 0.02 2 294 27 27 LYS C C 177.934 0.3 1 295 27 27 LYS CA C 59.18 0.3 1 296 27 27 LYS CB C 32.607 0.3 1 297 27 27 LYS CG C 25.429 0.3 1 298 27 27 LYS CD C 29.336 0.3 1 299 27 27 LYS CE C 42.298 0.3 1 300 27 27 LYS N N 122.717 0.3 1 301 28 28 GLU H H 8.368 0.02 1 302 28 28 GLU HA H 4.338 0.02 1 303 28 28 GLU HB2 H 2.291 0.02 2 304 28 28 GLU HB3 H 2.164 0.02 2 305 28 28 GLU HG2 H 2.179 0.02 1 306 28 28 GLU HG3 H 2.179 0.02 1 307 28 28 GLU C C 176.463 0.3 1 308 28 28 GLU CA C 58.732 0.3 1 309 28 28 GLU CB C 28.821 0.3 1 310 28 28 GLU CG C 36.44 0.3 1 311 28 28 GLU N N 115.744 0.3 1 312 29 29 ALA H H 8.07 0.02 1 313 29 29 ALA HA H 4.46 0.02 1 314 29 29 ALA HB H 1.271 0.02 1 315 29 29 ALA C C 173.204 0.3 1 316 29 29 ALA CA C 51.516 0.3 1 317 29 29 ALA CB C 22.002 0.3 1 318 29 29 ALA N N 121.709 0.3 1 319 30 30 LYS H H 8.367 0.02 1 320 30 30 LYS HA H 4.511 0.02 1 321 30 30 LYS HB2 H 1.436 0.02 1 322 30 30 LYS HB3 H 1.436 0.02 1 323 30 30 LYS HG2 H 1.308 0.02 1 324 30 30 LYS HG3 H 1.308 0.02 1 325 30 30 LYS HD2 H 1.692 0.02 1 326 30 30 LYS HD3 H 1.692 0.02 1 327 30 30 LYS HE2 H 2.932 0.02 1 328 30 30 LYS HE3 H 2.932 0.02 1 329 30 30 LYS C C 174.492 0.3 1 330 30 30 LYS CA C 55.163 0.3 1 331 30 30 LYS CB C 32.27 0.3 1 332 30 30 LYS CG C 24.914 0.3 1 333 30 30 LYS CD C 29.004 0.3 1 334 30 30 LYS CE C 42.385 0.3 1 335 30 30 LYS N N 120.145 0.3 1 336 31 31 ILE H H 8.385 0.02 1 337 31 31 ILE HA H 4.218 0.02 1 338 31 31 ILE HB H 0.841 0.02 1 339 31 31 ILE HG12 H 0.397 0.02 1 340 31 31 ILE HG13 H 1.288 0.02 5 341 31 31 ILE HG2 H -0.247 0.02 1 342 31 31 ILE HD1 H 0.681 0.02 1 343 31 31 ILE C C 174.115 0.3 1 344 31 31 ILE CA C 59.563 0.3 1 345 31 31 ILE CB C 41.686 0.3 1 346 31 31 ILE CG1 C 28.202 0.3 5 347 31 31 ILE CG2 C 16.292 0.3 1 348 31 31 ILE CD1 C 14.166 0.3 1 349 31 31 ILE N N 128.719 0.3 1 350 32 32 LYS H H 8.682 0.02 1 351 32 32 LYS HA H 4.571 0.02 5 352 32 32 LYS HB2 H 1.936 0.02 2 353 32 32 LYS HB3 H 1.605 0.02 2 354 32 32 LYS HG2 H 1.417 0.02 1 355 32 32 LYS HG3 H 1.35 0.02 1 356 32 32 LYS HD2 H 1.706 0.02 2 357 32 32 LYS HD3 H 1.732 0.02 2 358 32 32 LYS HE2 H 3.059 0.02 1 359 32 32 LYS HE3 H 3.059 0.02 1 360 32 32 LYS C C 176.158 0.3 1 361 32 32 LYS CA C 54.135 0.3 5 362 32 32 LYS CB C 31.839 0.3 1 363 32 32 LYS CG C 24.67 0.3 1 364 32 32 LYS CD C 28.819 0.3 1 365 32 32 LYS CE C 42.687 0.3 1 366 32 32 LYS N N 127.17 0.3 1 367 33 33 PHE H H 9.081 0.02 1 368 33 33 PHE HA H 4.782 0.02 1 369 33 33 PHE HB2 H 3.28 0.02 1 370 33 33 PHE HB3 H 2.875 0.02 1 371 33 33 PHE HD1 H 7.438 0.02 1 372 33 33 PHE HD2 H 7.438 0.02 1 373 33 33 PHE HE1 H 7.114 0.02 1 374 33 33 PHE HE2 H 7.114 0.02 1 375 33 33 PHE HZ H 7.01 0.02 1 376 33 33 PHE C C 176.06 0.3 1 377 33 33 PHE CA C 59.545 0.3 1 378 33 33 PHE CB C 38.606 0.3 1 379 33 33 PHE CD1 C 131.709 0.3 1 380 33 33 PHE CD2 C 131.709 0.3 1 381 33 33 PHE CE1 C 130.745 0.3 1 382 33 33 PHE CE2 C 130.745 0.3 1 383 33 33 PHE CZ C 130.089 0.3 1 384 33 33 PHE N N 130.266 0.3 1 385 34 34 VAL H H 7.732 0.02 1 386 34 34 VAL HA H 3.846 0.02 1 387 34 34 VAL HB H 1.701 0.02 1 388 34 34 VAL HG1 H 0.858 0.02 1 389 34 34 VAL HG2 H 0.858 0.02 1 390 34 34 VAL C C 175.958 0.3 1 391 34 34 VAL CA C 63.138 0.3 1 392 34 34 VAL CB C 33.316 0.3 1 393 34 34 VAL CG1 C 22.856 0.3 1 394 34 34 VAL CG2 C 21.314 0.3 1 395 34 34 VAL N N 125.102 0.3 1 396 35 35 GLU H H 8.64 0.02 1 397 35 35 GLU HA H 4.016 0.02 1 398 35 35 GLU HB2 H 2.182 0.02 1 399 35 35 GLU HB3 H 1.734 0.02 1 400 35 35 GLU HG2 H 2.481 0.02 5 401 35 35 GLU HG3 H 2.481 0.02 5 402 35 35 GLU C C 177.359 0.3 1 403 35 35 GLU CA C 56.867 0.3 1 404 35 35 GLU CB C 29.301 0.3 1 405 35 35 GLU CG C 35.675 0.3 5 406 35 35 GLU N N 127.469 0.3 1 407 36 36 ARG H H 8.353 0.02 1 408 36 36 ARG HA H 3.385 0.02 1 409 36 36 ARG HB2 H 1.798 0.02 2 410 36 36 ARG HB3 H 1.68 0.02 2 411 36 36 ARG HG2 H 1.488 0.02 1 412 36 36 ARG HG3 H 1.659 0.02 1 413 36 36 ARG HD2 H 3.297 0.02 1 414 36 36 ARG HD3 H 3.297 0.02 1 415 36 36 ARG HE H 7.374 0.02 1 416 36 36 ARG C C 177.516 0.3 1 417 36 36 ARG CA C 58.715 0.3 1 418 36 36 ARG CB C 30.222 0.3 1 419 36 36 ARG CG C 27.699 0.3 1 420 36 36 ARG CD C 43.389 0.3 1 421 36 36 ARG N N 122.249 0.3 1 422 37 37 GLU H H 8.879 0.02 1 423 37 37 GLU HA H 4.134 0.02 1 424 37 37 GLU HB2 H 2.001 0.02 2 425 37 37 GLU HB3 H 2.102 0.02 2 426 37 37 GLU HG2 H 2.373 0.02 2 427 37 37 GLU HG3 H 2.313 0.02 2 428 37 37 GLU C C 176.238 0.3 1 429 37 37 GLU CA C 57.778 0.3 1 430 37 37 GLU CB C 28.028 0.3 1 431 37 37 GLU CG C 34.794 0.3 1 432 37 37 GLU N N 115.732 0.3 1 433 38 38 ASN H H 8.063 0.02 1 434 38 38 ASN HA H 5.038 0.02 1 435 38 38 ASN HB2 H 3.105 0.02 1 436 38 38 ASN HB3 H 2.772 0.02 1 437 38 38 ASN HD21 H 7.528 0.02 2 438 38 38 ASN HD22 H 6.473 0.02 2 439 38 38 ASN C C 176.511 0.3 1 440 38 38 ASN CA C 52.35 0.3 1 441 38 38 ASN CB C 39.648 0.3 1 442 38 38 ASN N N 116.79 0.3 1 443 38 38 ASN ND2 N 109.885 0.3 1 444 39 39 PHE H H 6.763 0.02 1 445 39 39 PHE HA H 5.201 0.02 1 446 39 39 PHE HB2 H 2.768 0.02 1 447 39 39 PHE HB3 H 2.757 0.02 1 448 39 39 PHE HD1 H 7.238 0.02 1 449 39 39 PHE HD2 H 7.238 0.02 1 450 39 39 PHE HE1 H 7.354 0.02 1 451 39 39 PHE HE2 H 7.354 0.02 5 452 39 39 PHE HZ H 6.891 0.02 5 453 39 39 PHE C C 176.045 0.3 1 454 39 39 PHE CA C 57.585 0.3 1 455 39 39 PHE CB C 39.534 0.3 1 456 39 39 PHE CD1 C 131.527 0.3 1 457 39 39 PHE CD2 C 131.527 0.3 1 458 39 39 PHE CE1 C 131.711 0.3 1 459 39 39 PHE CE2 C 131.711 0.3 5 460 39 39 PHE CZ C 128.713 0.3 5 461 39 39 PHE N N 120.037 0.3 1 462 40 40 HIS H H 8.094 0.02 1 463 40 40 HIS HA H 4.996 0.02 1 464 40 40 HIS HB2 H 3.814 0.02 1 465 40 40 HIS HB3 H 2.99 0.02 1 466 40 40 HIS HD2 H 6.93 0.02 1 467 40 40 HIS HE1 H 8.345 0.02 1 468 40 40 HIS C C 171.734 0.3 1 469 40 40 HIS CA C 55.462 0.3 1 470 40 40 HIS CB C 30.227 0.3 1 471 40 40 HIS CD2 C 120.317 0.3 1 472 40 40 HIS CE1 C 137.108 0.3 1 473 40 40 HIS N N 114.081 0.3 1 474 41 41 ILE H H 9.242 0.02 1 475 41 41 ILE HA H 4.479 0.02 1 476 41 41 ILE HB H 1.927 0.02 1 477 41 41 ILE HG12 H 1.547 0.02 2 478 41 41 ILE HG13 H 0.827 0.02 2 479 41 41 ILE HG2 H 0.975 0.02 1 480 41 41 ILE HD1 H 0.961 0.02 1 481 41 41 ILE C C 176.53 0.3 1 482 41 41 ILE CA C 60.563 0.3 1 483 41 41 ILE CB C 40.667 0.3 1 484 41 41 ILE CG1 C 28.077 0.3 1 485 41 41 ILE CG2 C 17.013 0.3 1 486 41 41 ILE CD1 C 15.09 0.3 1 487 41 41 ILE N N 119.738 0.3 1 488 42 42 THR H H 9.726 0.02 1 489 42 42 THR HA H 4.44 0.02 1 490 42 42 THR HB H 4.172 0.02 1 491 42 42 THR HG2 H 1.077 0.02 1 492 42 42 THR C C 174.317 0.3 1 493 42 42 THR CA C 64.1 0.3 1 494 42 42 THR CB C 68.194 0.3 1 495 42 42 THR CG2 C 23.432 0.3 1 496 42 42 THR N N 128.329 0.3 1 497 43 43 LEU H H 9.274 0.02 1 498 43 43 LEU HA H 4.506 0.02 1 499 43 43 LEU HB2 H 1.361 0.02 1 500 43 43 LEU HB3 H 1.114 0.02 1 501 43 43 LEU HG H 1.576 0.02 1 502 43 43 LEU HD1 H 0.76 0.02 1 503 43 43 LEU HD2 H 0.714 0.02 1 504 43 43 LEU C C 175.606 0.3 1 505 43 43 LEU CA C 56.184 0.3 1 506 43 43 LEU CB C 42.836 0.3 1 507 43 43 LEU CG C 27.72 0.3 1 508 43 43 LEU CD1 C 26.074 0.3 1 509 43 43 LEU CD2 C 23.972 0.3 1 510 43 43 LEU N N 127.575 0.3 1 511 44 44 LYS H H 7.221 0.02 1 512 44 44 LYS HA H 4.406 0.02 5 513 44 44 LYS HB2 H 1.942 0.02 2 514 44 44 LYS HB3 H 1.313 0.02 2 515 44 44 LYS HG2 H 0.974 0.02 1 516 44 44 LYS HG3 H 1.479 0.02 1 517 44 44 LYS HD2 H 1.766 0.02 1 518 44 44 LYS HD3 H 1.327 0.02 1 519 44 44 LYS HE2 H 2.84 0.02 2 520 44 44 LYS HE3 H 3.087 0.02 2 521 44 44 LYS C C 174.35 0.3 1 522 44 44 LYS CA C 56.816 0.3 5 523 44 44 LYS CB C 36.58 0.3 1 524 44 44 LYS CG C 25.127 0.3 1 525 44 44 LYS CD C 29.85 0.3 1 526 44 44 LYS CE C 41.752 0.3 1 527 44 44 LYS N N 115.225 0.3 1 528 45 45 PHE H H 9.835 0.02 1 529 45 45 PHE HA H 4.713 0.02 1 530 45 45 PHE HB2 H 3.319 0.02 1 531 45 45 PHE HB3 H 3.076 0.02 1 532 45 45 PHE HD1 H 7.29 0.02 1 533 45 45 PHE HD2 H 7.29 0.02 1 534 45 45 PHE HE1 H 7.359 0.02 5 535 45 45 PHE HE2 H 7.359 0.02 5 536 45 45 PHE HZ H 7.356 0.02 1 537 45 45 PHE C C 175.032 0.3 1 538 45 45 PHE CA C 58.646 0.3 1 539 45 45 PHE CB C 39.63 0.3 1 540 45 45 PHE CD1 C 132.389 0.3 1 541 45 45 PHE CD2 C 132.389 0.3 1 542 45 45 PHE CE1 C 131.699 0.3 5 543 45 45 PHE CE2 C 131.699 0.3 5 544 45 45 PHE CZ C 129.848 0.3 1 545 45 45 PHE N N 131.769 0.3 1 546 46 46 LEU H H 7.702 0.02 1 547 46 46 LEU HA H 4.299 0.02 1 548 46 46 LEU HB2 H 1.557 0.02 1 549 46 46 LEU HB3 H 1.252 0.02 1 550 46 46 LEU HG H 1.251 0.02 1 551 46 46 LEU HD1 H 0.526 0.02 1 552 46 46 LEU HD2 H 0.115 0.02 1 553 46 46 LEU C C 176.259 0.3 1 554 46 46 LEU CA C 55.17 0.3 1 555 46 46 LEU CB C 41.829 0.3 1 556 46 46 LEU CG C 26.747 0.3 1 557 46 46 LEU CD1 C 26.337 0.3 1 558 46 46 LEU CD2 C 22.927 0.3 1 559 46 46 LEU N N 125.319 0.3 1 560 47 47 GLY H H 6.74 0.02 1 561 47 47 GLY HA2 H 4.175 0.02 1 562 47 47 GLY HA3 H 3.52 0.02 1 563 47 47 GLY C C 172.559 0.3 1 564 47 47 GLY CA C 45.409 0.3 1 565 47 47 GLY N N 105.887 0.3 1 566 48 48 GLU H H 8.291 0.02 1 567 48 48 GLU HA H 4.758 0.02 1 568 48 48 GLU HB2 H 1.967 0.02 2 569 48 48 GLU HB3 H 2.011 0.02 2 570 48 48 GLU HG2 H 2.352 0.02 1 571 48 48 GLU HG3 H 2.177 0.02 1 572 48 48 GLU C C 176.863 0.3 1 573 48 48 GLU CA C 55.858 0.3 1 574 48 48 GLU CB C 29.353 0.3 1 575 48 48 GLU CG C 35.341 0.3 1 576 48 48 GLU N N 122.869 0.3 1 577 49 49 ILE H H 9.162 0.02 1 578 49 49 ILE HA H 5.266 0.02 1 579 49 49 ILE HB H 2.113 0.02 1 580 49 49 ILE HG12 H 1.033 0.02 1 581 49 49 ILE HG13 H 1.428 0.02 1 582 49 49 ILE HG2 H 0.938 0.02 1 583 49 49 ILE HD1 H 0.587 0.02 5 584 49 49 ILE C C 175.648 0.3 1 585 49 49 ILE CA C 59.014 0.3 1 586 49 49 ILE CB C 42.982 0.3 1 587 49 49 ILE CG1 C 25.019 0.3 1 588 49 49 ILE CG2 C 18.341 0.3 1 589 49 49 ILE CD1 C 14.571 0.3 5 590 49 49 ILE N N 120.652 0.3 1 591 50 50 THR H H 8.854 0.02 1 592 50 50 THR HA H 4.743 0.02 5 593 50 50 THR HB H 4.9 0.02 1 594 50 50 THR HG2 H 1.368 0.02 1 595 50 50 THR C C 176.143 0.3 1 596 50 50 THR CA C 59.891 0.3 5 597 50 50 THR CB C 71.996 0.3 1 598 50 50 THR CG2 C 21.872 0.3 1 599 50 50 THR N N 111.899 0.3 1 600 51 51 GLU H H 9.041 0.02 1 601 51 51 GLU HA H 3.985 0.02 1 602 51 51 GLU HB2 H 2.114 0.02 2 603 51 51 GLU HB3 H 2.146 0.02 5 604 51 51 GLU HG2 H 2.459 0.02 1 605 51 51 GLU HG3 H 2.459 0.02 1 606 51 51 GLU C C 178.71 0.3 1 607 51 51 GLU CA C 60.047 0.3 1 608 51 51 GLU CB C 28.548 0.3 5 609 51 51 GLU CG C 35.624 0.3 1 610 51 51 GLU N N 120.613 0.3 1 611 52 52 GLU H H 8.524 0.02 1 612 52 52 GLU HA H 4.099 0.02 1 613 52 52 GLU HB2 H 2.154 0.02 5 614 52 52 GLU HB3 H 2.008 0.02 2 615 52 52 GLU HG2 H 2.461 0.02 1 616 52 52 GLU HG3 H 2.461 0.02 1 617 52 52 GLU C C 179.856 0.3 1 618 52 52 GLU CA C 60.024 0.3 1 619 52 52 GLU CB C 28.555 0.3 5 620 52 52 GLU CG C 35.691 0.3 1 621 52 52 GLU N N 119.353 0.3 1 622 53 53 GLN H H 7.916 0.02 1 623 53 53 GLN HA H 4.158 0.02 5 624 53 53 GLN HB2 H 1.88 0.02 2 625 53 53 GLN HB3 H 2.674 0.02 2 626 53 53 GLN HG2 H 2.48 0.02 1 627 53 53 GLN HG3 H 2.638 0.02 1 628 53 53 GLN HE21 H 7.722 0.02 2 629 53 53 GLN HE22 H 6.78 0.02 2 630 53 53 GLN C C 178.774 0.3 1 631 53 53 GLN CA C 59.277 0.3 5 632 53 53 GLN CB C 29.908 0.3 1 633 53 53 GLN CG C 35.618 0.3 1 634 53 53 GLN N N 119.022 0.3 1 635 53 53 GLN NE2 N 111.765 0.3 1 636 54 54 ALA H H 8.573 0.02 1 637 54 54 ALA HA H 3.728 0.02 1 638 54 54 ALA HB H 1.435 0.02 1 639 54 54 ALA C C 179.012 0.3 1 640 54 54 ALA CA C 56.004 0.3 1 641 54 54 ALA CB C 17.22 0.3 1 642 54 54 ALA N N 121.139 0.3 1 643 55 55 GLU H H 7.908 0.02 1 644 55 55 GLU HA H 4.158 0.02 5 645 55 55 GLU HB2 H 1.66 0.02 1 646 55 55 GLU HB3 H 1.881 0.02 1 647 55 55 GLU HG2 H 2.467 0.02 2 648 55 55 GLU HG3 H 2.642 0.02 2 649 55 55 GLU C C 179.304 0.3 1 650 55 55 GLU CA C 59.272 0.3 5 651 55 55 GLU CB C 29.938 0.3 1 652 55 55 GLU CG C 35.551 0.3 1 653 55 55 GLU N N 116.189 0.3 1 654 56 56 GLU H H 7.664 0.02 1 655 56 56 GLU HA H 4.122 0.02 1 656 56 56 GLU HB2 H 2.163 0.02 2 657 56 56 GLU HB3 H 2.351 0.02 2 658 56 56 GLU HG2 H 2.65 0.02 2 659 56 56 GLU HG3 H 2.509 0.02 2 660 56 56 GLU C C 179.507 0.3 1 661 56 56 GLU CA C 59.027 0.3 1 662 56 56 GLU CB C 28.992 0.3 1 663 56 56 GLU CG C 34.439 0.3 1 664 56 56 GLU N N 119.032 0.3 1 665 57 57 ILE H H 8.582 0.02 1 666 57 57 ILE HA H 3.449 0.02 1 667 57 57 ILE HB H 1.821 0.02 5 668 57 57 ILE HG12 H 1.856 0.02 1 669 57 57 ILE HG13 H 0.693 0.02 1 670 57 57 ILE HG2 H 0.689 0.02 1 671 57 57 ILE HD1 H 0.6 0.02 5 672 57 57 ILE C C 177.734 0.3 1 673 57 57 ILE CA C 65.522 0.3 1 674 57 57 ILE CB C 37.899 0.3 5 675 57 57 ILE CG1 C 29.882 0.3 1 676 57 57 ILE CG2 C 17.81 0.3 1 677 57 57 ILE CD1 C 14.55 0.3 5 678 57 57 ILE N N 119.966 0.3 1 679 58 58 LYS H H 8.459 0.02 1 680 58 58 LYS HA H 3.713 0.02 1 681 58 58 LYS HB2 H 2.126 0.02 1 682 58 58 LYS HB3 H 2.072 0.02 1 683 58 58 LYS HG2 H 1.911 0.02 2 684 58 58 LYS HG3 H 1.249 0.02 2 685 58 58 LYS HD2 H 1.794 0.02 2 686 58 58 LYS HD3 H 1.715 0.02 2 687 58 58 LYS HE2 H 2.743 0.02 1 688 58 58 LYS HE3 H 2.743 0.02 1 689 58 58 LYS C C 177.471 0.3 1 690 58 58 LYS CA C 61.149 0.3 1 691 58 58 LYS CB C 32.684 0.3 1 692 58 58 LYS CG C 26.716 0.3 1 693 58 58 LYS CD C 30.142 0.3 1 694 58 58 LYS CE C 41.741 0.3 1 695 58 58 LYS N N 120.148 0.3 1 696 59 59 LYS H H 7.059 0.02 1 697 59 59 LYS HA H 3.999 0.02 1 698 59 59 LYS HB2 H 1.906 0.02 2 699 59 59 LYS HB3 H 1.981 0.02 2 700 59 59 LYS HG2 H 1.703 0.02 2 701 59 59 LYS HG3 H 1.529 0.02 2 702 59 59 LYS HD2 H 1.692 0.02 2 703 59 59 LYS HD3 H 1.766 0.02 2 704 59 59 LYS HE2 H 3.003 0.02 1 705 59 59 LYS HE3 H 3.003 0.02 1 706 59 59 LYS C C 179.452 0.3 1 707 59 59 LYS CA C 59.323 0.3 1 708 59 59 LYS CB C 32.292 0.3 1 709 59 59 LYS CG C 25.167 0.3 1 710 59 59 LYS CD C 28.948 0.3 1 711 59 59 LYS CE C 42.178 0.3 1 712 59 59 LYS N N 115.682 0.3 1 713 60 60 ILE H H 7.223 0.02 1 714 60 60 ILE HA H 3.685 0.02 1 715 60 60 ILE HB H 1.894 0.02 1 716 60 60 ILE HG12 H 1.7 0.02 1 717 60 60 ILE HG13 H 1.238 0.02 1 718 60 60 ILE HG2 H 0.798 0.02 1 719 60 60 ILE HD1 H 0.834 0.02 1 720 60 60 ILE C C 178.055 0.3 1 721 60 60 ILE CA C 64.268 0.3 1 722 60 60 ILE CB C 38.659 0.3 1 723 60 60 ILE CG1 C 29.18 0.3 1 724 60 60 ILE CG2 C 17.357 0.3 1 725 60 60 ILE CD1 C 14.321 0.3 1 726 60 60 ILE N N 119.641 0.3 1 727 61 61 LEU H H 8.314 0.02 5 728 61 61 LEU HA H 3.616 0.02 1 729 61 61 LEU HB2 H 1.129 0.02 1 730 61 61 LEU HB3 H 0.558 0.02 1 731 61 61 LEU HG H 1.801 0.02 1 732 61 61 LEU HD1 H 0.626 0.02 5 733 61 61 LEU HD2 H 0.655 0.02 1 734 61 61 LEU C C 177.56 0.3 1 735 61 61 LEU CA C 57.523 0.3 1 736 61 61 LEU CB C 40.404 0.3 1 737 61 61 LEU CG C 26.112 0.3 1 738 61 61 LEU CD1 C 22.125 0.3 5 739 61 61 LEU CD2 C 26.697 0.3 1 740 61 61 LEU N N 118.773 0.3 5 741 62 62 GLU H H 7.572 0.02 1 742 62 62 GLU HA H 3.568 0.02 1 743 62 62 GLU HB2 H 1.922 0.02 1 744 62 62 GLU HB3 H 1.922 0.02 1 745 62 62 GLU HG2 H 2.405 0.02 1 746 62 62 GLU HG3 H 2.323 0.02 1 747 62 62 GLU C C 177.953 0.3 1 748 62 62 GLU CA C 59.292 0.3 1 749 62 62 GLU CB C 29.259 0.3 1 750 62 62 GLU CG C 35.177 0.3 1 751 62 62 GLU N N 118.237 0.3 1 752 63 63 LYS H H 6.829 0.02 1 753 63 63 LYS HA H 3.986 0.02 1 754 63 63 LYS HB2 H 1.949 0.02 5 755 63 63 LYS HB3 H 1.876 0.02 2 756 63 63 LYS HG2 H 1.414 0.02 1 757 63 63 LYS HG3 H 1.623 0.02 1 758 63 63 LYS HD2 H 1.706 0.02 1 759 63 63 LYS HD3 H 1.706 0.02 1 760 63 63 LYS HE2 H 2.975 0.02 2 761 63 63 LYS HE3 H 2.964 0.02 2 762 63 63 LYS C C 179.142 0.3 1 763 63 63 LYS CA C 58.977 0.3 1 764 63 63 LYS CB C 32.84 0.3 5 765 63 63 LYS CG C 25.09 0.3 1 766 63 63 LYS CD C 29.188 0.3 1 767 63 63 LYS CE C 42.09 0.3 1 768 63 63 LYS N N 116.576 0.3 1 769 64 64 ILE H H 7.724 0.02 1 770 64 64 ILE HA H 3.619 0.02 1 771 64 64 ILE HB H 1.669 0.02 1 772 64 64 ILE HG12 H 1.815 0.02 2 773 64 64 ILE HG13 H 1.119 0.02 2 774 64 64 ILE HG2 H 0.868 0.02 1 775 64 64 ILE HD1 H 0.657 0.02 1 776 64 64 ILE C C 177.577 0.3 1 777 64 64 ILE CA C 65.418 0.3 1 778 64 64 ILE CB C 38.779 0.3 1 779 64 64 ILE CG1 C 29.206 0.3 1 780 64 64 ILE CG2 C 17.125 0.3 1 781 64 64 ILE CD1 C 14.745 0.3 1 782 64 64 ILE N N 119.419 0.3 1 783 65 65 ALA H H 8.335 0.02 5 784 65 65 ALA HA H 3.878 0.02 1 785 65 65 ALA HB H 1.381 0.02 1 786 65 65 ALA C C 177.729 0.3 1 787 65 65 ALA CA C 55.567 0.3 1 788 65 65 ALA CB C 18.77 0.3 1 789 65 65 ALA N N 119.961 0.3 5 790 66 66 LYS H H 6.815 0.02 1 791 66 66 LYS HA H 4.255 0.02 1 792 66 66 LYS HB2 H 1.946 0.02 1 793 66 66 LYS HB3 H 1.866 0.02 1 794 66 66 LYS HG2 H 1.668 0.02 1 795 66 66 LYS HG3 H 1.668 0.02 1 796 66 66 LYS HD2 H 1.753 0.02 2 797 66 66 LYS HD3 H 1.72 0.02 2 798 66 66 LYS HE2 H 3.072 0.02 5 799 66 66 LYS HE3 H 3.072 0.02 5 800 66 66 LYS C C 178.161 0.3 1 801 66 66 LYS CA C 57.224 0.3 1 802 66 66 LYS CB C 32.889 0.3 1 803 66 66 LYS CG C 24.979 0.3 1 804 66 66 LYS CD C 29.13 0.3 1 805 66 66 LYS CE C 42.476 0.3 5 806 66 66 LYS N N 109.116 0.3 1 807 67 67 LYS H H 7.669 0.02 1 808 67 67 LYS HA H 4.013 0.02 1 809 67 67 LYS HB2 H 1.752 0.02 2 810 67 67 LYS HB3 H 1.515 0.02 2 811 67 67 LYS HG2 H 1.099 0.02 1 812 67 67 LYS HG3 H 1.518 0.02 1 813 67 67 LYS HD2 H 1.664 0.02 2 814 67 67 LYS HD3 H 1.868 0.02 2 815 67 67 LYS HE2 H 2.852 0.02 1 816 67 67 LYS HE3 H 2.852 0.02 1 817 67 67 LYS C C 175.657 0.3 1 818 67 67 LYS CA C 57.446 0.3 1 819 67 67 LYS CB C 33.215 0.3 1 820 67 67 LYS CG C 25.011 0.3 1 821 67 67 LYS CD C 29.81 0.3 1 822 67 67 LYS CE C 41.855 0.3 1 823 67 67 LYS N N 117.464 0.3 1 824 68 68 TYR H H 7.321 0.02 1 825 68 68 TYR HA H 4.69 0.02 1 826 68 68 TYR HB2 H 2.934 0.02 1 827 68 68 TYR HB3 H 2.487 0.02 1 828 68 68 TYR HD1 H 7.283 0.02 1 829 68 68 TYR HD2 H 7.283 0.02 1 830 68 68 TYR HE1 H 6.653 0.02 1 831 68 68 TYR HE2 H 6.653 0.02 1 832 68 68 TYR C C 173.517 0.3 1 833 68 68 TYR CA C 57.521 0.3 1 834 68 68 TYR CB C 42.215 0.3 1 835 68 68 TYR CD1 C 134.268 0.3 1 836 68 68 TYR CD2 C 134.268 0.3 1 837 68 68 TYR CE1 C 117.448 0.3 1 838 68 68 TYR CE2 C 117.448 0.3 1 839 68 68 TYR N N 117.271 0.3 1 840 69 69 LYS H H 8.313 0.02 5 841 69 69 LYS HA H 4.896 0.02 1 842 69 69 LYS HB2 H 1.847 0.02 2 843 69 69 LYS HB3 H 1.771 0.02 2 844 69 69 LYS HG2 H 1.425 0.02 1 845 69 69 LYS HG3 H 1.425 0.02 1 846 69 69 LYS HD2 H 1.66 0.02 2 847 69 69 LYS HD3 H 1.596 0.02 2 848 69 69 LYS HE2 H 3.013 0.02 2 849 69 69 LYS HE3 H 3.047 0.02 2 850 69 69 LYS C C 177.053 0.3 1 851 69 69 LYS CA C 54.461 0.3 1 852 69 69 LYS CB C 34.826 0.3 1 853 69 69 LYS CG C 25.215 0.3 1 854 69 69 LYS CD C 29.372 0.3 1 855 69 69 LYS CE C 42.5 0.3 1 856 69 69 LYS N N 118.745 0.3 5 857 70 70 LYS H H 8.451 0.02 1 858 70 70 LYS HA H 4.354 0.02 1 859 70 70 LYS HB2 H 1.69 0.02 2 860 70 70 LYS HB3 H 1.616 0.02 2 861 70 70 LYS HG2 H 1.54 0.02 1 862 70 70 LYS HG3 H 1.54 0.02 1 863 70 70 LYS HD2 H 1.682 0.02 2 864 70 70 LYS HD3 H 1.658 0.02 2 865 70 70 LYS HE2 H 3.14 0.02 2 866 70 70 LYS HE3 H 3.353 0.02 2 867 70 70 LYS C C 175.529 0.3 1 868 70 70 LYS CA C 58.269 0.3 1 869 70 70 LYS CB C 34.224 0.3 1 870 70 70 LYS CG C 26.634 0.3 1 871 70 70 LYS CD C 30.825 0.3 1 872 70 70 LYS CE C 42.459 0.3 1 873 70 70 LYS N N 121.967 0.3 1 874 71 71 HIS H H 6.995 0.02 1 875 71 71 HIS HA H 4.85 0.02 1 876 71 71 HIS HB2 H 3.176 0.02 1 877 71 71 HIS HB3 H 3.176 0.02 1 878 71 71 HIS HD2 H 6.894 0.02 5 879 71 71 HIS C C 171.69 0.3 1 880 71 71 HIS CA C 55.215 0.3 1 881 71 71 HIS CB C 30.84 0.3 1 882 71 71 HIS CD2 C 118.043 0.3 5 883 71 71 HIS N N 115.94 0.3 1 884 72 72 GLU H H 8.792 0.02 1 885 72 72 GLU HA H 4.791 0.02 1 886 72 72 GLU HB2 H 1.956 0.02 2 887 72 72 GLU HB3 H 1.839 0.02 2 888 72 72 GLU HG2 H 2.109 0.02 1 889 72 72 GLU HG3 H 2.109 0.02 1 890 72 72 GLU C C 175.752 0.3 1 891 72 72 GLU CA C 55.88 0.3 1 892 72 72 GLU CB C 31.319 0.3 1 893 72 72 GLU CG C 35.756 0.3 1 894 72 72 GLU N N 123.11 0.3 1 895 73 73 VAL H H 8.478 0.02 1 896 73 73 VAL HA H 4.743 0.02 5 897 73 73 VAL HB H 1.895 0.02 1 898 73 73 VAL HG1 H 0.874 0.02 1 899 73 73 VAL HG2 H 0.181 0.02 1 900 73 73 VAL C C 173.611 0.3 1 901 73 73 VAL CA C 59.887 0.3 5 902 73 73 VAL CB C 34.286 0.3 1 903 73 73 VAL CG1 C 22.436 0.3 1 904 73 73 VAL CG2 C 19.844 0.3 1 905 73 73 VAL N N 118.309 0.3 1 906 74 74 ASN H H 7.903 0.02 1 907 74 74 ASN HA H 5.235 0.02 1 908 74 74 ASN HB2 H 2.69 0.02 2 909 74 74 ASN HB3 H 2.587 0.02 2 910 74 74 ASN HD21 H 7.214 0.02 2 911 74 74 ASN HD22 H 7.506 0.02 2 912 74 74 ASN C C 173.45 0.3 1 913 74 74 ASN CA C 52.359 0.3 1 914 74 74 ASN CB C 41.735 0.3 1 915 74 74 ASN N N 118.495 0.3 1 916 74 74 ASN ND2 N 113.174 0.3 1 917 75 75 VAL H H 9.022 0.02 1 918 75 75 VAL HA H 4.884 0.02 1 919 75 75 VAL HB H 2.301 0.02 1 920 75 75 VAL HG1 H 1.025 0.02 1 921 75 75 VAL HG2 H 1.119 0.02 1 922 75 75 VAL C C 174.238 0.3 1 923 75 75 VAL CA C 62.218 0.3 1 924 75 75 VAL CB C 31.119 0.3 1 925 75 75 VAL CG1 C 22.343 0.3 1 926 75 75 VAL CG2 C 22.586 0.3 1 927 75 75 VAL N N 126.716 0.3 1 928 76 76 ARG H H 8.536 0.02 1 929 76 76 ARG HA H 5.143 0.02 1 930 76 76 ARG HB2 H 1.728 0.02 2 931 76 76 ARG HB3 H 1.574 0.02 2 932 76 76 ARG HG2 H 1.32 0.02 1 933 76 76 ARG HG3 H 1.32 0.02 1 934 76 76 ARG HD2 H 3.114 0.02 2 935 76 76 ARG HD3 H 3.023 0.02 2 936 76 76 ARG HE H 7.239 0.02 1 937 76 76 ARG C C 175.147 0.3 1 938 76 76 ARG CA C 55.729 0.3 1 939 76 76 ARG CB C 33.899 0.3 1 940 76 76 ARG CG C 26.911 0.3 1 941 76 76 ARG CD C 43.598 0.3 1 942 76 76 ARG N N 128.712 0.3 1 943 77 77 GLY H H 9.11 0.02 1 944 77 77 GLY HA2 H 4.336 0.02 2 945 77 77 GLY HA3 H 3.857 0.02 2 946 77 77 GLY C C 174.8 0.3 1 947 77 77 GLY CA C 44.842 0.3 1 948 77 77 GLY N N 113.524 0.3 1 949 78 78 ILE H H 7.083 0.02 1 950 78 78 ILE HA H 5.246 0.02 1 951 78 78 ILE HB H 1.599 0.02 1 952 78 78 ILE HG12 H 1.407 0.02 2 953 78 78 ILE HG13 H 1.506 0.02 2 954 78 78 ILE HG2 H 0.683 0.02 1 955 78 78 ILE HD1 H 0.697 0.02 1 956 78 78 ILE C C 175.347 0.3 1 957 78 78 ILE CA C 56.607 0.3 1 958 78 78 ILE CB C 39.465 0.3 1 959 78 78 ILE CG1 C 27.776 0.3 1 960 78 78 ILE CG2 C 18.19 0.3 1 961 78 78 ILE CD1 C 11.794 0.3 1 962 78 78 ILE N N 118.758 0.3 1 963 79 79 GLY H H 8.244 0.02 1 964 79 79 GLY HA2 H 3.827 0.02 1 965 79 79 GLY HA3 H 3.827 0.02 1 966 79 79 GLY CA C 42.339 0.3 1 967 79 79 GLY N N 116.715 0.3 1 968 80 80 VAL H H 7.405 0.02 1 969 80 80 VAL HA H 5.057 0.02 1 970 80 80 VAL HB H 1.818 0.02 1 971 80 80 VAL HG1 H 0.659 0.02 1 972 80 80 VAL HG2 H 0.417 0.02 1 973 80 80 VAL C C 175.359 0.3 1 974 80 80 VAL CA C 57.841 0.3 1 975 80 80 VAL CB C 36.215 0.3 1 976 80 80 VAL CG1 C 23.532 0.3 1 977 80 80 VAL CG2 C 18.067 0.3 1 978 80 80 VAL N N 106.993 0.3 1 979 81 81 PHE H H 8.645 0.02 1 980 81 81 PHE HA H 5.194 0.02 1 981 81 81 PHE HB2 H 2.997 0.02 1 982 81 81 PHE HB3 H 3.165 0.02 1 983 81 81 PHE HD1 H 7.355 0.02 5 984 81 81 PHE HD2 H 7.355 0.02 5 985 81 81 PHE HE1 H 7.153 0.02 1 986 81 81 PHE HE2 H 7.153 0.02 1 987 81 81 PHE HZ H 6.84 0.02 1 988 81 81 PHE C C 175.394 0.3 1 989 81 81 PHE CA C 53.665 0.3 1 990 81 81 PHE CB C 43.063 0.3 1 991 81 81 PHE CD1 C 131.68 0.3 5 992 81 81 PHE CD2 C 131.68 0.3 5 993 81 81 PHE CE1 C 131.711 0.3 1 994 81 81 PHE CE2 C 131.711 0.3 1 995 81 81 PHE CZ C 130.178 0.3 1 996 81 81 PHE N N 118.801 0.3 1 997 82 82 PRO HA H 4.087 0.02 1 998 82 82 PRO HB2 H 2.095 0.02 2 999 82 82 PRO HB3 H 2.033 0.02 2 1000 82 82 PRO HG2 H 2.024 0.02 2 1001 82 82 PRO HG3 H 1.942 0.02 2 1002 82 82 PRO HD2 H 4.511 0.02 2 1003 82 82 PRO HD3 H 3.292 0.02 2 1004 82 82 PRO C C 175.746 0.3 1 1005 82 82 PRO CA C 65.098 0.3 1 1006 82 82 PRO CB C 34.35 0.3 1 1007 82 82 PRO CG C 25.298 0.3 1 1008 82 82 PRO CD C 50.965 0.3 1 1009 83 83 ASN H H 7.506 0.02 1 1010 83 83 ASN HA H 4.891 0.02 1 1011 83 83 ASN HB2 H 3.131 0.02 2 1012 83 83 ASN HB3 H 2.949 0.02 2 1013 83 83 ASN HD21 H 6.925 0.02 2 1014 83 83 ASN HD22 H 7.722 0.02 2 1015 83 83 ASN C C 172.525 0.3 1 1016 83 83 ASN CA C 52.913 0.3 1 1017 83 83 ASN CB C 38.182 0.3 1 1018 83 83 ASN N N 115.022 0.3 1 1019 83 83 ASN ND2 N 115.916 0.3 1 1020 84 84 PRO HA H 4.048 0.02 1 1021 84 84 PRO HB2 H 2.336 0.02 2 1022 84 84 PRO HB3 H 1.833 0.02 5 1023 84 84 PRO HG2 H 2.064 0.02 2 1024 84 84 PRO HG3 H 1.825 0.02 2 1025 84 84 PRO HD2 H 3.779 0.02 2 1026 84 84 PRO HD3 H 3.696 0.02 2 1027 84 84 PRO C C 176.253 0.3 1 1028 84 84 PRO CA C 65.148 0.3 1 1029 84 84 PRO CB C 32.15 0.3 5 1030 84 84 PRO CG C 27.904 0.3 1 1031 84 84 PRO CD C 50.854 0.3 1 1032 85 85 ASN H H 8.315 0.02 1 1033 85 85 ASN HA H 4.573 0.02 5 1034 85 85 ASN HB2 H 2.667 0.02 2 1035 85 85 ASN HB3 H 2.627 0.02 2 1036 85 85 ASN HD21 H 6.921 0.02 2 1037 85 85 ASN HD22 H 7.416 0.02 2 1038 85 85 ASN C C 174.834 0.3 1 1039 85 85 ASN CA C 54.145 0.3 5 1040 85 85 ASN CB C 39.209 0.3 1 1041 85 85 ASN N N 113.847 0.3 1 1042 85 85 ASN ND2 N 113.625 0.3 1 1043 86 86 TYR H H 7.625 0.02 1 1044 86 86 TYR HA H 4.685 0.02 1 1045 86 86 TYR HB2 H 2.727 0.02 2 1046 86 86 TYR HB3 H 2.994 0.02 2 1047 86 86 TYR HD1 H 7.124 0.02 1 1048 86 86 TYR HD2 H 7.124 0.02 1 1049 86 86 TYR HE1 H 6.82 0.02 3 1050 86 86 TYR HE2 H 6.82 0.02 3 1051 86 86 TYR C C 172.344 0.3 1 1052 86 86 TYR CA C 56.359 0.3 1 1053 86 86 TYR CB C 37.932 0.3 1 1054 86 86 TYR CD1 C 133.09 0.3 1 1055 86 86 TYR CD2 C 133.09 0.3 1 1056 86 86 TYR CE1 C 118 0.3 1 1057 86 86 TYR CE2 C 118 0.3 1 1058 86 86 TYR N N 123.396 0.3 1 1059 87 87 VAL H H 7.789 0.02 1 1060 87 87 VAL HA H 3.487 0.02 1 1061 87 87 VAL HB H 1.824 0.02 5 1062 87 87 VAL HG1 H 0.66 0.02 1 1063 87 87 VAL HG2 H 0.819 0.02 1 1064 87 87 VAL C C 175.541 0.3 1 1065 87 87 VAL CA C 64.073 0.3 1 1066 87 87 VAL CB C 32.15 0.3 5 1067 87 87 VAL CG1 C 21.416 0.3 1 1068 87 87 VAL CG2 C 21.743 0.3 1 1069 87 87 VAL N N 122.288 0.3 1 1070 88 88 ARG H H 8.663 0.02 5 1071 88 88 ARG HA H 4.79 0.02 1 1072 88 88 ARG HB2 H 2.09 0.02 2 1073 88 88 ARG HB3 H 2.027 0.02 2 1074 88 88 ARG HG2 H 1.709 0.02 2 1075 88 88 ARG HG3 H 1.5 0.02 2 1076 88 88 ARG HD2 H 3.23 0.02 1 1077 88 88 ARG HD3 H 3.23 0.02 1 1078 88 88 ARG C C 176.57 0.3 1 1079 88 88 ARG CA C 56.409 0.3 1 1080 88 88 ARG CB C 33.022 0.3 1 1081 88 88 ARG CG C 27.065 0.3 1 1082 88 88 ARG CD C 43.077 0.3 1 1083 88 88 ARG N N 123.863 0.3 5 1084 89 89 VAL H H 8.659 0.02 1 1085 89 89 VAL HA H 4.838 0.02 1 1086 89 89 VAL HB H 2.174 0.02 1 1087 89 89 VAL HG1 H 1.16 0.02 1 1088 89 89 VAL HG2 H 1.249 0.02 1 1089 89 89 VAL C C 174.145 0.3 1 1090 89 89 VAL CA C 61.683 0.3 1 1091 89 89 VAL CB C 36.873 0.3 1 1092 89 89 VAL CG1 C 21.78 0.3 1 1093 89 89 VAL CG2 C 22.866 0.3 1 1094 89 89 VAL N N 120.844 0.3 1 1095 90 90 ILE H H 8.234 0.02 1 1096 90 90 ILE HA H 4.66 0.02 1 1097 90 90 ILE HB H 1.342 0.02 1 1098 90 90 ILE HG12 H 1.414 0.02 1 1099 90 90 ILE HG13 H 0.746 0.02 1 1100 90 90 ILE HG2 H 0.808 0.02 1 1101 90 90 ILE HD1 H 0.679 0.02 1 1102 90 90 ILE C C 174.645 0.3 1 1103 90 90 ILE CA C 60.085 0.3 1 1104 90 90 ILE CB C 41.227 0.3 1 1105 90 90 ILE CG1 C 27.314 0.3 1 1106 90 90 ILE CG2 C 18.027 0.3 1 1107 90 90 ILE CD1 C 14.563 0.3 1 1108 90 90 ILE N N 123.753 0.3 1 1109 91 91 TRP H H 8.791 0.02 1 1110 91 91 TRP HA H 5.451 0.02 1 1111 91 91 TRP HB2 H 2.966 0.02 1 1112 91 91 TRP HB3 H 2.966 0.02 1 1113 91 91 TRP HD1 H 6.302 0.02 1 1114 91 91 TRP HE3 H 6.8 0.02 1 1115 91 91 TRP HZ2 H 7.066 0.02 1 1116 91 91 TRP HZ3 H 6.737 0.02 1 1117 91 91 TRP HH2 H 7.087 0.02 1 1118 91 91 TRP C C 173.007 0.3 1 1119 91 91 TRP CA C 54.025 0.3 1 1120 91 91 TRP CB C 34.473 0.3 1 1121 91 91 TRP CD1 C 127.642 0.3 1 1122 91 91 TRP CE3 C 120.998 0.3 1 1123 91 91 TRP CZ2 C 114.272 0.3 1 1124 91 91 TRP CZ3 C 121.008 0.3 1 1125 91 91 TRP CH2 C 125.002 0.3 1 1126 91 91 TRP N N 126.425 0.3 1 1127 92 92 ALA H H 9.326 0.02 1 1128 92 92 ALA HA H 5.813 0.02 1 1129 92 92 ALA HB H 1.083 0.02 1 1130 92 92 ALA C C 178.594 0.3 1 1131 92 92 ALA CA C 49.75 0.3 1 1132 92 92 ALA CB C 21.93 0.3 1 1133 92 92 ALA N N 121.599 0.3 1 1134 93 93 GLY H H 8.389 0.02 1 1135 93 93 GLY HA2 H 4.492 0.02 2 1136 93 93 GLY HA3 H 4.136 0.02 2 1137 93 93 GLY C C 172.094 0.3 1 1138 93 93 GLY CA C 44.722 0.3 1 1139 93 93 GLY N N 110.823 0.3 1 1140 94 94 VAL H H 7.695 0.02 1 1141 94 94 VAL HA H 4.9 0.02 1 1142 94 94 VAL HB H 1.906 0.02 1 1143 94 94 VAL HG1 H 0.863 0.02 1 1144 94 94 VAL HG2 H 0.794 0.02 1 1145 94 94 VAL C C 175.263 0.3 1 1146 94 94 VAL CA C 61.108 0.3 1 1147 94 94 VAL CB C 34.296 0.3 1 1148 94 94 VAL CG1 C 21.677 0.3 1 1149 94 94 VAL CG2 C 21.2 0.3 1 1150 94 94 VAL N N 116.451 0.3 1 1151 95 95 GLU H H 9.264 0.02 1 1152 95 95 GLU HA H 4.627 0.02 1 1153 95 95 GLU HB2 H 2.232 0.02 2 1154 95 95 GLU HB3 H 1.959 0.02 2 1155 95 95 GLU HG2 H 2.402 0.02 2 1156 95 95 GLU HG3 H 2.405 0.02 2 1157 95 95 GLU C C 176.055 0.3 1 1158 95 95 GLU CA C 55.717 0.3 1 1159 95 95 GLU CB C 31.623 0.3 1 1160 95 95 GLU CG C 35.306 0.3 1 1161 95 95 GLU N N 125.777 0.3 1 1162 96 96 ASN H H 8.906 0.02 1 1163 96 96 ASN HA H 4.795 0.02 1 1164 96 96 ASN HB2 H 3.357 0.02 2 1165 96 96 ASN HB3 H 3.086 0.02 2 1166 96 96 ASN HD21 H 7.737 0.02 2 1167 96 96 ASN HD22 H 7.027 0.02 2 1168 96 96 ASN C C 175.642 0.3 1 1169 96 96 ASN CA C 54.331 0.3 1 1170 96 96 ASN CB C 37.484 0.3 1 1171 96 96 ASN N N 117.362 0.3 1 1172 96 96 ASN ND2 N 112.468 0.3 1 1173 97 97 ASP H H 8.275 0.02 1 1174 97 97 ASP HA H 4.556 0.02 1 1175 97 97 ASP HB2 H 2.91 0.02 5 1176 97 97 ASP HB3 H 2.397 0.02 2 1177 97 97 ASP C C 176.714 0.3 1 1178 97 97 ASP CA C 53.666 0.3 1 1179 97 97 ASP CB C 40.162 0.3 5 1180 97 97 ASP N N 115.698 0.3 1 1181 98 98 GLU H H 8.617 0.02 1 1182 98 98 GLU HA H 3.883 0.02 1 1183 98 98 GLU HB2 H 2.187 0.02 2 1184 98 98 GLU HB3 H 2.032 0.02 2 1185 98 98 GLU HG2 H 2.424 0.02 1 1186 98 98 GLU HG3 H 2.418 0.02 1 1187 98 98 GLU C C 178.493 0.3 1 1188 98 98 GLU CA C 61.023 0.3 1 1189 98 98 GLU CB C 29.144 0.3 1 1190 98 98 GLU CG C 35.788 0.3 1 1191 98 98 GLU N N 121.111 0.3 1 1192 99 99 ILE H H 8.104 0.02 1 1193 99 99 ILE HA H 3.733 0.02 1 1194 99 99 ILE HB H 1.348 0.02 1 1195 99 99 ILE HG12 H 1.309 0.02 2 1196 99 99 ILE HG13 H 1.063 0.02 2 1197 99 99 ILE HG2 H 0.755 0.02 1 1198 99 99 ILE HD1 H 0.63 0.02 1 1199 99 99 ILE C C 177.682 0.3 1 1200 99 99 ILE CA C 64.277 0.3 1 1201 99 99 ILE CB C 36.168 0.3 1 1202 99 99 ILE CG1 C 28.501 0.3 1 1203 99 99 ILE CG2 C 18.352 0.3 1 1204 99 99 ILE CD1 C 12.17 0.3 1 1205 99 99 ILE N N 118.266 0.3 1 1206 100 100 ILE H H 8.064 0.02 1 1207 100 100 ILE HA H 3.415 0.02 1 1208 100 100 ILE HB H 1.895 0.02 1 1209 100 100 ILE HG12 H 1.864 0.02 2 1210 100 100 ILE HG13 H 0.689 0.02 2 1211 100 100 ILE HG2 H 0.984 0.02 1 1212 100 100 ILE HD1 H 0.956 0.02 1 1213 100 100 ILE CA C 66.233 0.3 1 1214 100 100 ILE CB C 37.519 0.3 1 1215 100 100 ILE CG1 C 29.855 0.3 1 1216 100 100 ILE CG2 C 18.136 0.3 1 1217 100 100 ILE CD1 C 14.282 0.3 1 1218 101 101 LYS H H 8.232 0.02 1 1219 101 101 LYS HA H 3.771 0.02 1 1220 101 101 LYS HB2 H 1.934 0.02 2 1221 101 101 LYS HB3 H 1.864 0.02 2 1222 101 101 LYS HG2 H 1.507 0.02 1 1223 101 101 LYS HG3 H 1.704 0.02 1 1224 101 101 LYS HD2 H 1.722 0.02 2 1225 101 101 LYS HD3 H 1.788 0.02 2 1226 101 101 LYS HE2 H 3.063 0.02 1 1227 101 101 LYS HE3 H 3.063 0.02 1 1228 101 101 LYS C C 179.298 0.3 1 1229 101 101 LYS CA C 60.383 0.3 1 1230 101 101 LYS CB C 32.349 0.3 1 1231 101 101 LYS CG C 25.972 0.3 1 1232 101 101 LYS CD C 29.566 0.3 1 1233 101 101 LYS CE C 41.945 0.3 1 1234 101 101 LYS N N 118.002 0.3 1 1235 102 102 LYS H H 7.635 0.02 1 1236 102 102 LYS HA H 3.971 0.02 1 1237 102 102 LYS HB2 H 2.069 0.02 2 1238 102 102 LYS HB3 H 1.982 0.02 2 1239 102 102 LYS HG2 H 1.575 0.02 2 1240 102 102 LYS HG3 H 1.805 0.02 2 1241 102 102 LYS HD2 H 1.87 0.02 2 1242 102 102 LYS HD3 H 1.772 0.02 2 1243 102 102 LYS HE2 H 3.074 0.02 5 1244 102 102 LYS HE3 H 3.015 0.02 2 1245 102 102 LYS C C 179.152 0.3 1 1246 102 102 LYS CA C 60.15 0.3 1 1247 102 102 LYS CB C 32.579 0.3 1 1248 102 102 LYS CG C 25.897 0.3 1 1249 102 102 LYS CD C 29.753 0.3 1 1250 102 102 LYS CE C 42.552 0.3 5 1251 102 102 LYS N N 120.655 0.3 1 1252 103 103 ILE H H 8.069 0.02 1 1253 103 103 ILE HA H 3.045 0.02 1 1254 103 103 ILE HB H 1.491 0.02 1 1255 103 103 ILE HG12 H 0.993 0.02 1 1256 103 103 ILE HG13 H -0.255 0.02 1 1257 103 103 ILE HG2 H 0.538 0.02 1 1258 103 103 ILE HD1 H 0.421 0.02 1 1259 103 103 ILE C C 177.355 0.3 1 1260 103 103 ILE CA C 65.9 0.3 1 1261 103 103 ILE CB C 37.836 0.3 1 1262 103 103 ILE CG1 C 28.095 0.3 1 1263 103 103 ILE CG2 C 17.45 0.3 1 1264 103 103 ILE CD1 C 13.717 0.3 1 1265 103 103 ILE N N 120.486 0.3 1 1266 104 104 ALA H H 8.329 0.02 1 1267 104 104 ALA HA H 3.514 0.02 1 1268 104 104 ALA HB H 0.667 0.02 1 1269 104 104 ALA C C 179.446 0.3 1 1270 104 104 ALA CA C 55.556 0.3 1 1271 104 104 ALA CB C 17.122 0.3 1 1272 104 104 ALA N N 120.672 0.3 1 1273 105 105 LYS H H 7.694 0.02 1 1274 105 105 LYS HA H 4.026 0.02 1 1275 105 105 LYS HB2 H 1.948 0.02 1 1276 105 105 LYS HB3 H 1.948 0.02 1 1277 105 105 LYS HG2 H 1.48 0.02 2 1278 105 105 LYS HG3 H 1.572 0.02 2 1279 105 105 LYS HD2 H 1.723 0.02 1 1280 105 105 LYS HD3 H 1.723 0.02 1 1281 105 105 LYS HE2 H 3.074 0.02 5 1282 105 105 LYS HE3 H 3.074 0.02 5 1283 105 105 LYS C C 177.791 0.3 1 1284 105 105 LYS CA C 59.178 0.3 1 1285 105 105 LYS CB C 32.343 0.3 1 1286 105 105 LYS CG C 24.998 0.3 1 1287 105 105 LYS CD C 29.008 0.3 1 1288 105 105 LYS CE C 42.512 0.3 5 1289 105 105 LYS N N 118.561 0.3 1 1290 106 106 GLU H H 7.992 0.02 1 1291 106 106 GLU HA H 4.131 0.02 1 1292 106 106 GLU HB2 H 2.206 0.02 2 1293 106 106 GLU HB3 H 2.072 0.02 2 1294 106 106 GLU HG2 H 2.568 0.02 2 1295 106 106 GLU HG3 H 2.287 0.02 2 1296 106 106 GLU C C 179.265 0.3 1 1297 106 106 GLU CA C 60.571 0.3 1 1298 106 106 GLU CB C 28.855 0.3 1 1299 106 106 GLU CG C 36.583 0.3 1 1300 106 106 GLU N N 120.389 0.3 1 1301 107 107 ILE H H 8.453 0.02 1 1302 107 107 ILE HA H 3.226 0.02 1 1303 107 107 ILE HB H 1.821 0.02 5 1304 107 107 ILE HG12 H 0.535 0.02 2 1305 107 107 ILE HG13 H 1.968 0.02 2 1306 107 107 ILE HG2 H 0.642 0.02 1 1307 107 107 ILE HD1 H 0.613 0.02 1 1308 107 107 ILE C C 177.183 0.3 1 1309 107 107 ILE CA C 66.304 0.3 1 1310 107 107 ILE CB C 37.875 0.3 5 1311 107 107 ILE CG1 C 30.223 0.3 1 1312 107 107 ILE CG2 C 18.512 0.3 1 1313 107 107 ILE CD1 C 16.216 0.3 1 1314 107 107 ILE N N 117.987 0.3 1 1315 108 108 ASP H H 8.112 0.02 5 1316 108 108 ASP HA H 4.246 0.02 5 1317 108 108 ASP HB2 H 3.037 0.02 2 1318 108 108 ASP HB3 H 2.678 0.02 2 1319 108 108 ASP C C 179.409 0.3 1 1320 108 108 ASP CA C 57.736 0.3 5 1321 108 108 ASP CB C 41.698 0.3 1 1322 108 108 ASP N N 120.653 0.3 5 1323 109 109 ASP H H 8.585 0.02 1 1324 109 109 ASP HA H 4.378 0.02 1 1325 109 109 ASP HB2 H 2.916 0.02 5 1326 109 109 ASP HB3 H 2.707 0.02 2 1327 109 109 ASP C C 179.558 0.3 1 1328 109 109 ASP CA C 57.513 0.3 1 1329 109 109 ASP CB C 40.224 0.3 5 1330 109 109 ASP N N 118.675 0.3 1 1331 110 110 GLU H H 8.551 0.02 1 1332 110 110 GLU HA H 4.254 0.02 1 1333 110 110 GLU HB2 H 2.12 0.02 2 1334 110 110 GLU HB3 H 1.914 0.02 2 1335 110 110 GLU HG2 H 2.598 0.02 2 1336 110 110 GLU HG3 H 2.373 0.02 2 1337 110 110 GLU C C 180.201 0.3 1 1338 110 110 GLU CA C 58.842 0.3 1 1339 110 110 GLU CB C 29.715 0.3 1 1340 110 110 GLU CG C 35.647 0.3 1 1341 110 110 GLU N N 118.754 0.3 1 1342 111 111 LEU H H 8.903 0.02 1 1343 111 111 LEU HA H 4.237 0.02 5 1344 111 111 LEU HB2 H 1.954 0.02 1 1345 111 111 LEU HB3 H 1.538 0.02 1 1346 111 111 LEU HG H 1.765 0.02 1 1347 111 111 LEU HD1 H 0.525 0.02 1 1348 111 111 LEU HD2 H 0.522 0.02 1 1349 111 111 LEU C C 180.234 0.3 1 1350 111 111 LEU CA C 57.731 0.3 5 1351 111 111 LEU CB C 38.857 0.3 1 1352 111 111 LEU CG C 28.865 0.3 1 1353 111 111 LEU CD1 C 25.866 0.3 1 1354 111 111 LEU CD2 C 24.717 0.3 1 1355 111 111 LEU N N 117.972 0.3 1 1356 112 112 ALA H H 7.907 0.02 1 1357 112 112 ALA HA H 4.894 0.02 1 1358 112 112 ALA HB H 1.606 0.02 1 1359 112 112 ALA C C 181.855 0.3 1 1360 112 112 ALA CA C 54.774 0.3 1 1361 112 112 ALA CB C 17.936 0.3 1 1362 112 112 ALA N N 125.598 0.3 1 1363 113 113 LYS H H 7.343 0.02 1 1364 113 113 LYS HA H 4.221 0.02 5 1365 113 113 LYS HB2 H 2.042 0.02 1 1366 113 113 LYS HB3 H 2.042 0.02 1 1367 113 113 LYS HG2 H 1.676 0.02 2 1368 113 113 LYS HG3 H 1.577 0.02 2 1369 113 113 LYS HD2 H 1.811 0.02 1 1370 113 113 LYS HD3 H 1.811 0.02 1 1371 113 113 LYS HE2 H 3.016 0.02 1 1372 113 113 LYS HE3 H 3.016 0.02 1 1373 113 113 LYS C C 177.37 0.3 1 1374 113 113 LYS CA C 58.515 0.3 5 1375 113 113 LYS CB C 31.984 0.3 1 1376 113 113 LYS CG C 25.518 0.3 1 1377 113 113 LYS CD C 29.434 0.3 1 1378 113 113 LYS CE C 42.285 0.3 1 1379 113 113 LYS N N 116.91 0.3 1 1380 114 114 LEU H H 7.455 0.02 1 1381 114 114 LEU HA H 4.579 0.02 1 1382 114 114 LEU HB2 H 2.147 0.02 1 1383 114 114 LEU HB3 H 2.047 0.02 1 1384 114 114 LEU HG H 1.826 0.02 1 1385 114 114 LEU HD1 H 0.981 0.02 1 1386 114 114 LEU HD2 H 0.94 0.02 1 1387 114 114 LEU C C 176.857 0.3 1 1388 114 114 LEU CA C 54.527 0.3 1 1389 114 114 LEU CB C 42.846 0.3 1 1390 114 114 LEU CG C 28.045 0.3 1 1391 114 114 LEU CD1 C 25.872 0.3 1 1392 114 114 LEU CD2 C 23.275 0.3 1 1393 114 114 LEU N N 117.38 0.3 1 1394 115 115 GLY H H 7.62 0.02 1 1395 115 115 GLY HA2 H 3.645 0.02 2 1396 115 115 GLY HA3 H 4.203 0.02 2 1397 115 115 GLY C C 174.419 0.3 1 1398 115 115 GLY CA C 45.121 0.3 1 1399 115 115 GLY N N 105.427 0.3 1 1400 116 116 PHE H H 7.426 0.02 1 1401 116 116 PHE HA H 4.429 0.02 1 1402 116 116 PHE HB2 H 2.694 0.02 1 1403 116 116 PHE HB3 H 2.94 0.02 1 1404 116 116 PHE HD1 H 7.509 0.02 1 1405 116 116 PHE HD2 H 7.509 0.02 1 1406 116 116 PHE HE1 H 7.355 0.02 1 1407 116 116 PHE HE2 H 7.355 0.02 1 1408 116 116 PHE HZ H 7.083 0.02 1 1409 116 116 PHE C C 176.441 0.3 1 1410 116 116 PHE CA C 58.636 0.3 1 1411 116 116 PHE CB C 38.705 0.3 1 1412 116 116 PHE CD1 C 132.245 0.3 1 1413 116 116 PHE CD2 C 132.245 0.3 1 1414 116 116 PHE CE1 C 131.371 0.3 1 1415 116 116 PHE CE2 C 131.371 0.3 1 1416 116 116 PHE CZ C 129.428 0.3 1 1417 116 116 PHE N N 118.745 0.3 1 1418 117 117 LYS H H 8.816 0.02 1 1419 117 117 LYS HA H 4.202 0.02 1 1420 117 117 LYS HB2 H 1.857 0.02 1 1421 117 117 LYS HB3 H 1.857 0.02 1 1422 117 117 LYS HG2 H 1.581 0.02 1 1423 117 117 LYS HG3 H 1.581 0.02 1 1424 117 117 LYS HD2 H 1.766 0.02 1 1425 117 117 LYS HD3 H 1.766 0.02 1 1426 117 117 LYS HE2 H 3.071 0.02 1 1427 117 117 LYS HE3 H 3.071 0.02 1 1428 117 117 LYS C C 176.935 0.3 1 1429 117 117 LYS CA C 56.721 0.3 1 1430 117 117 LYS CB C 32.972 0.3 1 1431 117 117 LYS CG C 24.805 0.3 1 1432 117 117 LYS CD C 29.158 0.3 1 1433 117 117 LYS CE C 42.379 0.3 1 1434 117 117 LYS N N 125.697 0.3 1 1435 118 118 LYS H H 8.533 0.02 1 1436 118 118 LYS HA H 4.41 0.02 5 1437 118 118 LYS HB2 H 1.701 0.02 1 1438 118 118 LYS HB3 H 1.88 0.02 1 1439 118 118 LYS HG2 H 1.328 0.02 2 1440 118 118 LYS HG3 H 1.596 0.02 2 1441 118 118 LYS HD2 H 1.745 0.02 1 1442 118 118 LYS HD3 H 1.745 0.02 1 1443 118 118 LYS HE2 H 3.015 0.02 1 1444 118 118 LYS HE3 H 3.015 0.02 1 1445 118 118 LYS C C 177.052 0.3 1 1446 118 118 LYS CA C 56.84 0.3 5 1447 118 118 LYS CB C 33.063 0.3 1 1448 118 118 LYS CG C 25.978 0.3 1 1449 118 118 LYS CD C 29.465 0.3 1 1450 118 118 LYS CE C 42.459 0.3 1 1451 118 118 LYS N N 124.567 0.3 1 1452 119 119 GLU H H 9.768 0.02 1 1453 119 119 GLU HA H 4.425 0.02 1 1454 119 119 GLU HB2 H 2.223 0.02 1 1455 119 119 GLU HB3 H 2.12 0.02 1 1456 119 119 GLU HG2 H 2.482 0.02 5 1457 119 119 GLU HG3 H 2.482 0.02 5 1458 119 119 GLU C C 177.334 0.3 1 1459 119 119 GLU CA C 56.355 0.3 1 1460 119 119 GLU CB C 30.73 0.3 1 1461 119 119 GLU CG C 35.666 0.3 5 1462 119 119 GLU N N 124.807 0.3 1 1463 120 120 GLY H H 8.67 0.02 1 1464 120 120 GLY HA2 H 3.989 0.02 2 1465 120 120 GLY HA3 H 3.935 0.02 2 1466 120 120 GLY C C 173.714 0.3 1 1467 120 120 GLY CA C 45.74 0.3 1 1468 120 120 GLY N N 110.111 0.3 1 1469 121 121 ASN H H 8.257 0.02 1 1470 121 121 ASN HA H 4.695 0.02 1 1471 121 121 ASN HB2 H 2.748 0.02 1 1472 121 121 ASN HB3 H 2.748 0.02 1 1473 121 121 ASN HD21 H 7.505 0.02 2 1474 121 121 ASN HD22 H 6.802 0.02 2 1475 121 121 ASN C C 173.818 0.3 1 1476 121 121 ASN CA C 53.18 0.3 1 1477 121 121 ASN CB C 39.254 0.3 1 1478 121 121 ASN N N 118.424 0.3 1 1479 121 121 ASN ND2 N 112.69 0.3 1 1480 122 122 PHE H H 8.312 0.02 1 1481 122 122 PHE HA H 4.435 0.02 1 1482 122 122 PHE HB2 H 3.19 0.02 1 1483 122 122 PHE HB3 H 2.782 0.02 1 1484 122 122 PHE HD1 H 7.164 0.02 1 1485 122 122 PHE HD2 H 7.164 0.02 1 1486 122 122 PHE HE1 H 7.251 0.02 1 1487 122 122 PHE HE2 H 7.251 0.02 1 1488 122 122 PHE HZ H 6.821 0.02 1 1489 122 122 PHE C C 174.438 0.3 1 1490 122 122 PHE CA C 59.244 0.3 1 1491 122 122 PHE CB C 40.372 0.3 1 1492 122 122 PHE CD1 C 132.114 0.3 1 1493 122 122 PHE CD2 C 132.114 0.3 1 1494 122 122 PHE CE1 C 130.861 0.3 1 1495 122 122 PHE CE2 C 130.861 0.3 1 1496 122 122 PHE CZ C 127.968 0.3 1 1497 122 122 PHE N N 122.532 0.3 1 1498 123 123 VAL H H 7.537 0.02 1 1499 123 123 VAL HA H 3.699 0.02 1 1500 123 123 VAL HB H 1.382 0.02 1 1501 123 123 VAL HG1 H 0.404 0.02 1 1502 123 123 VAL HG2 H 0.612 0.02 1 1503 123 123 VAL C C 174.28 0.3 1 1504 123 123 VAL CA C 60.315 0.3 1 1505 123 123 VAL CB C 34.445 0.3 1 1506 123 123 VAL CG1 C 20.334 0.3 1 1507 123 123 VAL CG2 C 20.264 0.3 1 1508 123 123 VAL N N 126.964 0.3 1 1509 124 124 ALA H H 8.853 0.02 1 1510 124 124 ALA HA H 3.996 0.02 1 1511 124 124 ALA HB H 1.33 0.02 1 1512 124 124 ALA C C 174.633 0.3 1 1513 124 124 ALA CA C 51.711 0.3 1 1514 124 124 ALA CB C 18.272 0.3 1 1515 124 124 ALA N N 131.663 0.3 1 1516 125 125 HIS H H 7.709 0.02 1 1517 125 125 HIS HA H 5.189 0.02 1 1518 125 125 HIS HB2 H 2.613 0.02 1 1519 125 125 HIS HB3 H 2.361 0.02 1 1520 125 125 HIS HD2 H 6.581 0.02 1 1521 125 125 HIS HE1 H 8.146 0.02 1 1522 125 125 HIS C C 172.688 0.3 1 1523 125 125 HIS CA C 53.481 0.3 1 1524 125 125 HIS CB C 31.91 0.3 1 1525 125 125 HIS CD2 C 118.88 0.3 1 1526 125 125 HIS CE1 C 136.634 0.3 1 1527 125 125 HIS N N 117.582 0.3 1 1528 126 126 ILE H H 9.291 0.02 1 1529 126 126 ILE HA H 4.435 0.02 1 1530 126 126 ILE HB H 1.534 0.02 1 1531 126 126 ILE HG12 H 1.297 0.02 5 1532 126 126 ILE HG13 H 0.577 0.02 2 1533 126 126 ILE HG2 H 0.691 0.02 1 1534 126 126 ILE HD1 H 0.634 0.02 1 1535 126 126 ILE C C 175.823 0.3 1 1536 126 126 ILE CA C 59.878 0.3 1 1537 126 126 ILE CB C 41.006 0.3 1 1538 126 126 ILE CG1 C 28.249 0.3 5 1539 126 126 ILE CG2 C 17.67 0.3 1 1540 126 126 ILE CD1 C 16.327 0.3 1 1541 126 126 ILE N N 121.107 0.3 1 1542 127 127 THR H H 9.342 0.02 1 1543 127 127 THR HA H 4.071 0.02 1 1544 127 127 THR HB H 4.201 0.02 1 1545 127 127 THR HG2 H 1.284 0.02 1 1546 127 127 THR C C 173.368 0.3 1 1547 127 127 THR CA C 66.57 0.3 1 1548 127 127 THR CB C 68.398 0.3 1 1549 127 127 THR CG2 C 23.257 0.3 1 1550 127 127 THR N N 127.6 0.3 1 1551 128 128 LEU H H 9.736 0.02 1 1552 128 128 LEU HA H 4.922 0.02 1 1553 128 128 LEU HB2 H 1.567 0.02 1 1554 128 128 LEU HB3 H 1.526 0.02 1 1555 128 128 LEU HG H 1.795 0.02 1 1556 128 128 LEU HD1 H 0.628 0.02 1 1557 128 128 LEU HD2 H 0.686 0.02 1 1558 128 128 LEU C C 179.258 0.3 1 1559 128 128 LEU CA C 55.465 0.3 1 1560 128 128 LEU CB C 45.495 0.3 1 1561 128 128 LEU CG C 27.763 0.3 1 1562 128 128 LEU CD1 C 25.391 0.3 1 1563 128 128 LEU CD2 C 25.723 0.3 1 1564 128 128 LEU N N 123.476 0.3 1 1565 129 129 GLY H H 7.987 0.02 1 1566 129 129 GLY HA2 H 3.66 0.02 2 1567 129 129 GLY HA3 H 4.604 0.02 2 1568 129 129 GLY C C 169.271 0.3 1 1569 129 129 GLY CA C 46.699 0.3 1 1570 129 129 GLY N N 106.951 0.3 1 1571 130 130 ARG H H 8.072 0.02 1 1572 130 130 ARG HA H 5.105 0.02 1 1573 130 130 ARG HB2 H 1.699 0.02 1 1574 130 130 ARG HB3 H 1.894 0.02 1 1575 130 130 ARG HG2 H 1.644 0.02 2 1576 130 130 ARG HG3 H 1.586 0.02 2 1577 130 130 ARG HD2 H 3.272 0.02 1 1578 130 130 ARG HD3 H 3.272 0.02 1 1579 130 130 ARG HE H 7.362 0.02 1 1580 130 130 ARG C C 174.625 0.3 1 1581 130 130 ARG CA C 54.762 0.3 1 1582 130 130 ARG CB C 32.342 0.3 1 1583 130 130 ARG CG C 28.359 0.3 1 1584 130 130 ARG CD C 43.135 0.3 1 1585 130 130 ARG N N 120.662 0.3 1 1586 131 131 VAL H H 8.822 0.02 1 1587 131 131 VAL HA H 3.646 0.02 1 1588 131 131 VAL HB H 2.006 0.02 1 1589 131 131 VAL HG1 H 0.568 0.02 1 1590 131 131 VAL HG2 H 0.617 0.02 5 1591 131 131 VAL C C 175.148 0.3 1 1592 131 131 VAL CA C 63.44 0.3 1 1593 131 131 VAL CB C 32.476 0.3 1 1594 131 131 VAL CG1 C 21.886 0.3 1 1595 131 131 VAL CG2 C 22.127 0.3 5 1596 131 131 VAL N N 126.82 0.3 1 1597 132 132 LYS H H 9.008 0.02 1 1598 132 132 LYS HA H 4.431 0.02 1 1599 132 132 LYS HB2 H 1.844 0.02 1 1600 132 132 LYS HB3 H 1.595 0.02 1 1601 132 132 LYS HG2 H 1.471 0.02 2 1602 132 132 LYS HG3 H 1.401 0.02 2 1603 132 132 LYS HD2 H 1.644 0.02 2 1604 132 132 LYS HD3 H 1.292 0.02 5 1605 132 132 LYS HE2 H 2.947 0.02 2 1606 132 132 LYS HE3 H 2.991 0.02 2 1607 132 132 LYS C C 176.62 0.3 1 1608 132 132 LYS CA C 56.961 0.3 1 1609 132 132 LYS CB C 32.736 0.3 1 1610 132 132 LYS CG C 24.466 0.3 1 1611 132 132 LYS CD C 28.369 0.3 5 1612 132 132 LYS CE C 42.004 0.3 1 1613 132 132 LYS N N 127.984 0.3 1 1614 133 133 PHE H H 7.31 0.02 1 1615 133 133 PHE HA H 4.74 0.02 1 1616 133 133 PHE HB2 H 3.199 0.02 1 1617 133 133 PHE HB3 H 3.034 0.02 1 1618 133 133 PHE HD1 H 7.06 0.02 1 1619 133 133 PHE HD2 H 7.06 0.02 1 1620 133 133 PHE HE1 H 7.355 0.02 5 1621 133 133 PHE HE2 H 7.355 0.02 5 1622 133 133 PHE HZ H 7.481 0.02 1 1623 133 133 PHE C C 173.135 0.3 1 1624 133 133 PHE CA C 57.407 0.3 1 1625 133 133 PHE CB C 41.426 0.3 1 1626 133 133 PHE CD1 C 132.077 0.3 1 1627 133 133 PHE CD2 C 132.077 0.3 1 1628 133 133 PHE CE1 C 131.68 0.3 5 1629 133 133 PHE CE2 C 131.68 0.3 5 1630 133 133 PHE N N 114.331 0.3 1 1631 134 134 VAL H H 8.669 0.02 1 1632 134 134 VAL HA H 3.905 0.02 1 1633 134 134 VAL HB H 1.952 0.02 5 1634 134 134 VAL HG1 H 0.836 0.02 1 1635 134 134 VAL HG2 H 0.825 0.02 5 1636 134 134 VAL C C 174.016 0.3 1 1637 134 134 VAL CA C 62.965 0.3 1 1638 134 134 VAL CB C 32.84 0.3 5 1639 134 134 VAL CG1 C 22.269 0.3 1 1640 134 134 VAL CG2 C 21.292 0.3 5 1641 134 134 VAL N N 125.683 0.3 1 1642 135 135 LYS H H 8.315 0.02 1 1643 135 135 LYS HA H 4.377 0.02 1 1644 135 135 LYS HB2 H 1.572 0.02 2 1645 135 135 LYS HB3 H 1.915 0.02 2 1646 135 135 LYS HG2 H 1.335 0.02 2 1647 135 135 LYS HG3 H 1.584 0.02 2 1648 135 135 LYS HD2 H 1.722 0.02 1 1649 135 135 LYS HD3 H 1.722 0.02 1 1650 135 135 LYS HE2 H 2.942 0.02 1 1651 135 135 LYS HE3 H 2.942 0.02 1 1652 135 135 LYS C C 176.233 0.3 1 1653 135 135 LYS CA C 57.472 0.3 1 1654 135 135 LYS CB C 33.666 0.3 1 1655 135 135 LYS CG C 25.269 0.3 1 1656 135 135 LYS CD C 29.415 0.3 1 1657 135 135 LYS CE C 42.104 0.3 1 1658 135 135 LYS N N 127.574 0.3 1 1659 136 136 ASP H H 8.161 0.02 1 1660 136 136 ASP HA H 4.895 0.02 1 1661 136 136 ASP HB2 H 2.828 0.02 2 1662 136 136 ASP HB3 H 2.658 0.02 2 1663 136 136 ASP C C 175.032 0.3 1 1664 136 136 ASP CA C 52.064 0.3 1 1665 136 136 ASP CB C 41.552 0.3 1 1666 136 136 ASP N N 119.02 0.3 1 1667 137 137 LYS H H 8.733 0.02 1 1668 137 137 LYS HA H 3.785 0.02 1 1669 137 137 LYS HB2 H 1.869 0.02 1 1670 137 137 LYS HB3 H 1.869 0.02 1 1671 137 137 LYS HG2 H 1.516 0.02 2 1672 137 137 LYS HG3 H 1.424 0.02 2 1673 137 137 LYS HD2 H 1.749 0.02 1 1674 137 137 LYS HD3 H 1.749 0.02 1 1675 137 137 LYS HE2 H 3.042 0.02 1 1676 137 137 LYS HE3 H 3.042 0.02 1 1677 137 137 LYS C C 178.983 0.3 1 1678 137 137 LYS CA C 60.216 0.3 1 1679 137 137 LYS CB C 32.638 0.3 1 1680 137 137 LYS CG C 25.127 0.3 1 1681 137 137 LYS CD C 29.645 0.3 1 1682 137 137 LYS CE C 42.188 0.3 1 1683 137 137 LYS N N 125.337 0.3 1 1684 138 138 LEU H H 8.236 0.02 1 1685 138 138 LEU HA H 4.2 0.02 1 1686 138 138 LEU HB2 H 1.792 0.02 1 1687 138 138 LEU HB3 H 1.684 0.02 1 1688 138 138 LEU HG H 1.7 0.02 1 1689 138 138 LEU HD1 H 0.982 0.02 1 1690 138 138 LEU HD2 H 0.927 0.02 1 1691 138 138 LEU C C 179.557 0.3 1 1692 138 138 LEU CA C 57.707 0.3 1 1693 138 138 LEU CB C 41.216 0.3 1 1694 138 138 LEU CG C 27.331 0.3 1 1695 138 138 LEU CD1 C 24.345 0.3 1 1696 138 138 LEU CD2 C 23.921 0.3 1 1697 138 138 LEU N N 121.53 0.3 1 1698 139 139 GLY H H 8.496 0.02 1 1699 139 139 GLY HA2 H 3.865 0.02 2 1700 139 139 GLY HA3 H 3.697 0.02 2 1701 139 139 GLY C C 177.416 0.3 1 1702 139 139 GLY CA C 47.748 0.3 1 1703 139 139 GLY N N 108.945 0.3 1 1704 140 140 LEU H H 8.282 0.02 1 1705 140 140 LEU HA H 4.031 0.02 1 1706 140 140 LEU HB2 H 1.998 0.02 1 1707 140 140 LEU HB3 H 1.336 0.02 1 1708 140 140 LEU HG H 1.536 0.02 1 1709 140 140 LEU HD1 H 0.805 0.02 1 1710 140 140 LEU HD2 H 0.818 0.02 1 1711 140 140 LEU C C 177.671 0.3 1 1712 140 140 LEU CA C 58.066 0.3 1 1713 140 140 LEU CB C 41.347 0.3 1 1714 140 140 LEU CG C 26.956 0.3 1 1715 140 140 LEU CD1 C 26.238 0.3 1 1716 140 140 LEU CD2 C 22.48 0.3 1 1717 140 140 LEU N N 122.356 0.3 1 1718 141 141 ALA H H 7.913 0.02 1 1719 141 141 ALA HA H 3.963 0.02 1 1720 141 141 ALA HB H 1.564 0.02 1 1721 141 141 ALA C C 180.87 0.3 1 1722 141 141 ALA CA C 55.535 0.3 1 1723 141 141 ALA CB C 18.004 0.3 1 1724 141 141 ALA N N 120.392 0.3 1 1725 142 142 MET H H 8.2 0.02 1 1726 142 142 MET HA H 4.221 0.02 5 1727 142 142 MET HB2 H 2.25 0.02 2 1728 142 142 MET HB3 H 2.209 0.02 2 1729 142 142 MET HG2 H 2.785 0.02 2 1730 142 142 MET HG3 H 2.685 0.02 2 1731 142 142 MET HE H 2.118 0.02 1 1732 142 142 MET C C 178.949 0.3 1 1733 142 142 MET CA C 58.546 0.3 5 1734 142 142 MET CB C 32.366 0.3 1 1735 142 142 MET CG C 32.188 0.3 1 1736 142 142 MET CE C 17.05 0.3 1 1737 142 142 MET N N 117.103 0.3 1 1738 143 143 LYS H H 7.559 0.02 1 1739 143 143 LYS HA H 4.341 0.02 1 1740 143 143 LYS HB2 H 2.131 0.02 1 1741 143 143 LYS HB3 H 1.629 0.02 1 1742 143 143 LYS HG2 H 1.651 0.02 2 1743 143 143 LYS HG3 H 1.383 0.02 2 1744 143 143 LYS HD2 H 1.43 0.02 2 1745 143 143 LYS HD3 H 1.348 0.02 2 1746 143 143 LYS HE2 H 2.565 0.02 2 1747 143 143 LYS HE3 H 2.792 0.02 2 1748 143 143 LYS C C 178.69 0.3 1 1749 143 143 LYS CA C 59.445 0.3 1 1750 143 143 LYS CB C 33.281 0.3 1 1751 143 143 LYS CG C 25.517 0.3 1 1752 143 143 LYS CD C 30.071 0.3 1 1753 143 143 LYS CE C 41.967 0.3 1 1754 143 143 LYS N N 119.817 0.3 1 1755 144 144 LEU H H 8.214 0.02 1 1756 144 144 LEU HA H 3.899 0.02 1 1757 144 144 LEU HB2 H 1.85 0.02 1 1758 144 144 LEU HB3 H 1.289 0.02 1 1759 144 144 LEU HG H 1.885 0.02 1 1760 144 144 LEU HD1 H 0.705 0.02 1 1761 144 144 LEU HD2 H 0.622 0.02 5 1762 144 144 LEU C C 180.229 0.3 1 1763 144 144 LEU CA C 57.863 0.3 1 1764 144 144 LEU CB C 40.057 0.3 1 1765 144 144 LEU CG C 26.454 0.3 1 1766 144 144 LEU CD1 C 26.145 0.3 1 1767 144 144 LEU CD2 C 22.127 0.3 5 1768 144 144 LEU N N 116.154 0.3 1 1769 145 145 LYS H H 8.108 0.02 5 1770 145 145 LYS HA H 4.081 0.02 1 1771 145 145 LYS HB2 H 1.993 0.02 1 1772 145 145 LYS HB3 H 2.027 0.02 1 1773 145 145 LYS HG2 H 1.574 0.02 2 1774 145 145 LYS HG3 H 1.468 0.02 2 1775 145 145 LYS HD2 H 1.699 0.02 2 1776 145 145 LYS HD3 H 1.728 0.02 2 1777 145 145 LYS HE2 H 2.989 0.02 2 1778 145 145 LYS HE3 H 3.063 0.02 2 1779 145 145 LYS C C 179.656 0.3 1 1780 145 145 LYS CA C 59.409 0.3 1 1781 145 145 LYS CB C 32.303 0.3 1 1782 145 145 LYS CG C 25.072 0.3 1 1783 145 145 LYS CD C 29.273 0.3 1 1784 145 145 LYS CE C 42.301 0.3 1 1785 145 145 LYS N N 120.585 0.3 5 1786 146 146 GLU H H 7.786 0.02 1 1787 146 146 GLU HA H 4.126 0.02 1 1788 146 146 GLU HB2 H 2.448 0.02 1 1789 146 146 GLU HB3 H 2.229 0.02 1 1790 146 146 GLU HG2 H 2.592 0.02 2 1791 146 146 GLU HG3 H 2.502 0.02 2 1792 146 146 GLU C C 178.487 0.3 1 1793 146 146 GLU CA C 58.716 0.3 1 1794 146 146 GLU CB C 28.922 0.3 1 1795 146 146 GLU CG C 34.767 0.3 1 1796 146 146 GLU N N 119.384 0.3 1 1797 147 147 LEU H H 7.422 0.02 1 1798 147 147 LEU HA H 4.326 0.02 5 1799 147 147 LEU HB2 H 1.822 0.02 1 1800 147 147 LEU HB3 H 1.689 0.02 1 1801 147 147 LEU HG H 1.885 0.02 1 1802 147 147 LEU HD1 H 0.956 0.02 1 1803 147 147 LEU HD2 H 0.692 0.02 1 1804 147 147 LEU C C 177.7 0.3 1 1805 147 147 LEU CA C 54.775 0.3 5 1806 147 147 LEU CB C 43.437 0.3 1 1807 147 147 LEU CG C 26.454 0.3 1 1808 147 147 LEU CD1 C 26.541 0.3 1 1809 147 147 LEU CD2 C 22.31 0.3 1 1810 147 147 LEU N N 116.437 0.3 1 1811 148 148 ALA H H 7.4 0.02 1 1812 148 148 ALA HA H 4.135 0.02 1 1813 148 148 ALA HB H 1.577 0.02 1 1814 148 148 ALA C C 177.631 0.3 1 1815 148 148 ALA CA C 56.108 0.3 1 1816 148 148 ALA CB C 19.448 0.3 1 1817 148 148 ALA N N 121.499 0.3 1 1818 149 149 ASN H H 8.247 0.02 1 1819 149 149 ASN HA H 4.989 0.02 1 1820 149 149 ASN HB2 H 2.926 0.02 2 1821 149 149 ASN HB3 H 2.522 0.02 2 1822 149 149 ASN HD21 H 7.536 0.02 2 1823 149 149 ASN HD22 H 6.848 0.02 2 1824 149 149 ASN C C 174.928 0.3 1 1825 149 149 ASN CA C 51.539 0.3 1 1826 149 149 ASN CB C 39.865 0.3 1 1827 149 149 ASN N N 112.274 0.3 1 1828 149 149 ASN ND2 N 113.27 0.3 1 1829 150 150 GLU H H 7.145 0.02 1 1830 150 150 GLU HA H 3.822 0.02 1 1831 150 150 GLU HB2 H 1.37 0.02 2 1832 150 150 GLU HB3 H 1.738 0.02 2 1833 150 150 GLU HG2 H 1.695 0.02 1 1834 150 150 GLU HG3 H 1.695 0.02 1 1835 150 150 GLU C C 173.712 0.3 1 1836 150 150 GLU CA C 56.884 0.3 1 1837 150 150 GLU CB C 29.188 0.3 1 1838 150 150 GLU CG C 33.322 0.3 1 1839 150 150 GLU N N 120.882 0.3 1 1840 151 151 ASP H H 8.303 0.02 5 1841 151 151 ASP HA H 4.532 0.02 1 1842 151 151 ASP HB2 H 2.8 0.02 2 1843 151 151 ASP HB3 H 2.492 0.02 2 1844 151 151 ASP C C 175.736 0.3 1 1845 151 151 ASP CA C 53.854 0.3 1 1846 151 151 ASP CB C 41.532 0.3 1 1847 151 151 ASP N N 124.618 0.3 5 1848 152 152 PHE H H 8.793 0.02 5 1849 152 152 PHE HA H 4.662 0.02 1 1850 152 152 PHE HB2 H 3.225 0.02 1 1851 152 152 PHE HB3 H 2.632 0.02 1 1852 152 152 PHE HD1 H 6.992 0.02 1 1853 152 152 PHE HD2 H 6.992 0.02 1 1854 152 152 PHE HE1 H 7.237 0.02 1 1855 152 152 PHE HE2 H 7.237 0.02 1 1856 152 152 PHE HZ H 6.883 0.02 1 1857 152 152 PHE C C 174.326 0.3 1 1858 152 152 PHE CA C 58.567 0.3 1 1859 152 152 PHE CB C 38.831 0.3 1 1860 152 152 PHE CD1 C 131.343 0.3 1 1861 152 152 PHE CD2 C 131.343 0.3 1 1862 152 152 PHE CE1 C 131.468 0.3 1 1863 152 152 PHE CE2 C 131.468 0.3 1 1864 152 152 PHE CZ C 127.905 0.3 1 1865 152 152 PHE N N 124.633 0.3 5 1866 153 153 GLY H H 8.064 0.02 1 1867 153 153 GLY HA2 H 4.596 0.02 2 1868 153 153 GLY HA3 H 3.822 0.02 2 1869 153 153 GLY C C 172.899 0.3 1 1870 153 153 GLY CA C 44.151 0.3 1 1871 153 153 GLY N N 106.333 0.3 1 1872 154 154 SER H H 8.17 0.02 1 1873 154 154 SER HA H 5.773 0.02 1 1874 154 154 SER HB2 H 3.866 0.02 2 1875 154 154 SER HB3 H 3.751 0.02 2 1876 154 154 SER C C 173.714 0.3 1 1877 154 154 SER CA C 56.614 0.3 1 1878 154 154 SER CB C 66.632 0.3 1 1879 154 154 SER N N 112.876 0.3 1 1880 155 155 PHE H H 8.709 0.02 1 1881 155 155 PHE HA H 5.063 0.02 1 1882 155 155 PHE HB2 H 3.352 0.02 1 1883 155 155 PHE HB3 H 3.352 0.02 1 1884 155 155 PHE HD1 H 7.185 0.02 5 1885 155 155 PHE HD2 H 7.185 0.02 5 1886 155 155 PHE HE1 H 7.099 0.02 1 1887 155 155 PHE HE2 H 7.099 0.02 1 1888 155 155 PHE HZ H 6.883 0.02 5 1889 155 155 PHE C C 171.793 0.3 1 1890 155 155 PHE CA C 55.97 0.3 1 1891 155 155 PHE CB C 40.964 0.3 1 1892 155 155 PHE CD1 C 132.3 0.3 5 1893 155 155 PHE CD2 C 132.3 0.3 5 1894 155 155 PHE CE1 C 131.245 0.3 1 1895 155 155 PHE CE2 C 131.245 0.3 1 1896 155 155 PHE CZ C 128.73 0.3 5 1897 155 155 PHE N N 116.745 0.3 1 1898 156 156 ILE H H 8.497 0.02 1 1899 156 156 ILE HA H 4.104 0.02 1 1900 156 156 ILE HB H 1.938 0.02 1 1901 156 156 ILE HG12 H 1.128 0.02 2 1902 156 156 ILE HG13 H 1.561 0.02 2 1903 156 156 ILE HG2 H 0.643 0.02 1 1904 156 156 ILE HD1 H 0.771 0.02 1 1905 156 156 ILE C C 175.937 0.3 1 1906 156 156 ILE CA C 59.439 0.3 1 1907 156 156 ILE CB C 38.228 0.3 1 1908 156 156 ILE CG1 C 27.884 0.3 1 1909 156 156 ILE CG2 C 17.711 0.3 1 1910 156 156 ILE CD1 C 11.756 0.3 1 1911 156 156 ILE N N 119.961 0.3 1 1912 157 157 VAL H H 8.65 0.02 1 1913 157 157 VAL HA H 3.845 0.02 1 1914 157 157 VAL HB H 1.518 0.02 1 1915 157 157 VAL HG1 H 0.685 0.02 1 1916 157 157 VAL HG2 H 0.82 0.02 5 1917 157 157 VAL C C 174.324 0.3 1 1918 157 157 VAL CA C 62.944 0.3 1 1919 157 157 VAL CB C 30.68 0.3 1 1920 157 157 VAL CG1 C 22.34 0.3 1 1921 157 157 VAL CG2 C 21.286 0.3 5 1922 157 157 VAL N N 129.328 0.3 1 1923 158 158 GLU H H 8.289 0.02 5 1924 158 158 GLU HA H 4.334 0.02 1 1925 158 158 GLU HB2 H 2.122 0.02 1 1926 158 158 GLU HB3 H 2.015 0.02 1 1927 158 158 GLU HG2 H 2.34 0.02 2 1928 158 158 GLU HG3 H 2.514 0.02 2 1929 158 158 GLU C C 176.728 0.3 1 1930 158 158 GLU CA C 56.962 0.3 1 1931 158 158 GLU CB C 31.872 0.3 1 1932 158 158 GLU CG C 35.144 0.3 1 1933 158 158 GLU N N 124.619 0.3 5 1934 159 159 ALA H H 7.403 0.02 1 1935 159 159 ALA HA H 5.115 0.02 1 1936 159 159 ALA HB H 1.198 0.02 1 1937 159 159 ALA C C 176.1 0.3 1 1938 159 159 ALA CA C 51.434 0.3 1 1939 159 159 ALA CB C 22.912 0.3 1 1940 159 159 ALA N N 115.872 0.3 1 1941 160 160 ILE H H 8.512 0.02 1 1942 160 160 ILE HA H 4.679 0.02 1 1943 160 160 ILE HB H 1.67 0.02 1 1944 160 160 ILE HG12 H 1.621 0.02 2 1945 160 160 ILE HG13 H 1.064 0.02 2 1946 160 160 ILE HG2 H 0.831 0.02 1 1947 160 160 ILE HD1 H 0.729 0.02 1 1948 160 160 ILE C C 174.861 0.3 1 1949 160 160 ILE CA C 60.017 0.3 1 1950 160 160 ILE CB C 40.889 0.3 1 1951 160 160 ILE CG1 C 26.584 0.3 1 1952 160 160 ILE CG2 C 18.495 0.3 1 1953 160 160 ILE CD1 C 13.781 0.3 1 1954 160 160 ILE N N 116.17 0.3 1 1955 161 161 GLU H H 9.035 0.02 1 1956 161 161 GLU HA H 5.286 0.02 1 1957 161 161 GLU HB2 H 1.807 0.02 2 1958 161 161 GLU HB3 H 1.874 0.02 2 1959 161 161 GLU HG2 H 2.083 0.02 2 1960 161 161 GLU HG3 H 2.278 0.02 2 1961 161 161 GLU C C 174.75 0.3 1 1962 161 161 GLU CA C 54.896 0.3 1 1963 161 161 GLU CB C 32.927 0.3 1 1964 161 161 GLU CG C 34.928 0.3 1 1965 161 161 GLU N N 121.046 0.3 1 1966 162 162 LEU H H 8.667 0.02 5 1967 162 162 LEU HA H 4.808 0.02 1 1968 162 162 LEU HB2 H 1.924 0.02 1 1969 162 162 LEU HB3 H 1.094 0.02 1 1970 162 162 LEU HG H 0.654 0.02 1 1971 162 162 LEU HD1 H 0.698 0.02 1 1972 162 162 LEU HD2 H 0.735 0.02 1 1973 162 162 LEU C C 174.459 0.3 1 1974 162 162 LEU CA C 53.832 0.3 1 1975 162 162 LEU CB C 44.637 0.3 1 1976 162 162 LEU CG C 26.743 0.3 1 1977 162 162 LEU CD1 C 23.607 0.3 1 1978 162 162 LEU CD2 C 26.751 0.3 1 1979 162 162 LEU N N 123.954 0.3 5 1980 163 163 LYS H H 8.958 0.02 1 1981 163 163 LYS HA H 5.034 0.02 1 1982 163 163 LYS HB2 H 0.91 0.02 2 1983 163 163 LYS HB3 H -0.004 0.02 2 1984 163 163 LYS HG2 H 0.974 0.02 2 1985 163 163 LYS HG3 H 0.742 0.02 2 1986 163 163 LYS HD2 H 1.08 0.02 2 1987 163 163 LYS HD3 H 1.22 0.02 2 1988 163 163 LYS HE2 H 2.558 0.02 2 1989 163 163 LYS HE3 H 2.624 0.02 2 1990 163 163 LYS C C 173.615 0.3 1 1991 163 163 LYS CA C 54.407 0.3 1 1992 163 163 LYS CB C 35.763 0.3 1 1993 163 163 LYS CG C 25.614 0.3 1 1994 163 163 LYS CD C 29.793 0.3 1 1995 163 163 LYS CE C 41.822 0.3 1 1996 163 163 LYS N N 126.917 0.3 1 1997 164 164 LYS H H 8.829 0.02 1 1998 164 164 LYS HA H 5.369 0.02 1 1999 164 164 LYS HB2 H 1.808 0.02 2 2000 164 164 LYS HB3 H 1.687 0.02 2 2001 164 164 LYS HG2 H 1.402 0.02 2 2002 164 164 LYS HG3 H 1.523 0.02 2 2003 164 164 LYS HD2 H 1.851 0.02 2 2004 164 164 LYS HD3 H 1.904 0.02 2 2005 164 164 LYS HE2 H 2.922 0.02 1 2006 164 164 LYS HE3 H 2.922 0.02 1 2007 164 164 LYS C C 175.422 0.3 1 2008 164 164 LYS CA C 53.893 0.3 1 2009 164 164 LYS CB C 36.382 0.3 1 2010 164 164 LYS CG C 24.774 0.3 1 2011 164 164 LYS CD C 30.227 0.3 1 2012 164 164 LYS CE C 42.159 0.3 1 2013 164 164 LYS N N 118.416 0.3 1 2014 165 165 SER H H 8.571 0.02 1 2015 165 165 SER HA H 5.507 0.02 1 2016 165 165 SER HB2 H 3.852 0.02 1 2017 165 165 SER HB3 H 3.852 0.02 1 2018 165 165 SER HG H 5.558 0.02 1 2019 165 165 SER C C 174.39 0.3 1 2020 165 165 SER CA C 56.317 0.3 1 2021 165 165 SER CB C 65.473 0.3 1 2022 165 165 SER N N 117.088 0.3 1 2023 166 166 THR H H 8.876 0.02 1 2024 166 166 THR HA H 4.586 0.02 1 2025 166 166 THR HB H 3.996 0.02 1 2026 166 166 THR HG2 H 1.202 0.02 1 2027 166 166 THR C C 172.966 0.3 1 2028 166 166 THR CA C 61.828 0.3 1 2029 166 166 THR CB C 71.043 0.3 1 2030 166 166 THR CG2 C 21.38 0.3 1 2031 166 166 THR N N 123.949 0.3 1 2032 167 167 LEU H H 8.714 0.02 1 2033 167 167 LEU HA H 4.379 0.02 1 2034 167 167 LEU HB2 H 1.65 0.02 1 2035 167 167 LEU HB3 H 1.611 0.02 1 2036 167 167 LEU HG H 1.623 0.02 1 2037 167 167 LEU HD1 H 0.86 0.02 1 2038 167 167 LEU HD2 H 0.901 0.02 1 2039 167 167 LEU C C 175.971 0.3 1 2040 167 167 LEU CA C 55.445 0.3 1 2041 167 167 LEU CB C 41.793 0.3 1 2042 167 167 LEU CG C 26.966 0.3 1 2043 167 167 LEU CD1 C 23.757 0.3 1 2044 167 167 LEU CD2 C 24.065 0.3 1 2045 167 167 LEU N N 127.086 0.3 1 2046 168 168 THR H H 7.358 0.02 1 2047 168 168 THR HA H 5.109 0.02 1 2048 168 168 THR HB H 4.598 0.02 1 2049 168 168 THR HG2 H 1.239 0.02 1 2050 168 168 THR C C 174.617 0.3 1 2051 168 168 THR CA C 59.893 0.3 1 2052 168 168 THR CB C 70.248 0.3 1 2053 168 168 THR CG2 C 21.273 0.3 1 2054 168 168 THR N N 116.18 0.3 1 2055 169 169 PRO HA H 4.418 0.02 1 2056 169 169 PRO HB2 H 2.513 0.02 2 2057 169 169 PRO HB3 H 1.912 0.02 2 2058 169 169 PRO HG2 H 2.023 0.02 2 2059 169 169 PRO HG3 H 2.174 0.02 2 2060 169 169 PRO HD2 H 3.841 0.02 1 2061 169 169 PRO HD3 H 3.991 0.02 1 2062 169 169 PRO C C 177.269 0.3 1 2063 169 169 PRO CA C 65.16 0.3 1 2064 169 169 PRO CB C 32.161 0.3 1 2065 169 169 PRO CG C 28.051 0.3 1 2066 169 169 PRO CD C 51.068 0.3 1 2067 170 170 LYS H H 7.528 0.02 1 2068 170 170 LYS HA H 4.444 0.02 1 2069 170 170 LYS HB2 H 1.944 0.02 5 2070 170 170 LYS HB3 H 1.642 0.02 2 2071 170 170 LYS HG2 H 1.41 0.02 1 2072 170 170 LYS HG3 H 1.41 0.02 1 2073 170 170 LYS HD2 H 1.663 0.02 1 2074 170 170 LYS HD3 H 1.663 0.02 1 2075 170 170 LYS HE2 H 3.008 0.02 1 2076 170 170 LYS HE3 H 3.008 0.02 1 2077 170 170 LYS C C 175.825 0.3 1 2078 170 170 LYS CA C 55.752 0.3 1 2079 170 170 LYS CB C 32.85 0.3 5 2080 170 170 LYS CG C 24.994 0.3 1 2081 170 170 LYS CD C 29.094 0.3 1 2082 170 170 LYS CE C 42.159 0.3 1 2083 170 170 LYS N N 113.801 0.3 1 2084 171 171 GLY H H 7.643 0.02 1 2085 171 171 GLY HA2 H 3.861 0.02 2 2086 171 171 GLY HA3 H 4.706 0.02 2 2087 171 171 GLY C C 175.841 0.3 1 2088 171 171 GLY CA C 43.851 0.3 1 2089 171 171 GLY N N 108.775 0.3 1 2090 172 172 PRO HA H 5.005 0.02 1 2091 172 172 PRO HB2 H 2.088 0.02 2 2092 172 172 PRO HB3 H 1.559 0.02 2 2093 172 172 PRO HG2 H 2.023 0.02 2 2094 172 172 PRO HG3 H 1.999 0.02 2 2095 172 172 PRO HD2 H 3.588 0.02 2 2096 172 172 PRO HD3 H 3.643 0.02 2 2097 172 172 PRO C C 176.347 0.3 1 2098 172 172 PRO CA C 62.979 0.3 1 2099 172 172 PRO CB C 32.517 0.3 1 2100 172 172 PRO CG C 27.337 0.3 1 2101 172 172 PRO CD C 49.629 0.3 1 2102 173 173 ILE H H 8.76 0.02 1 2103 173 173 ILE HA H 4.293 0.02 1 2104 173 173 ILE HB H 1.764 0.02 1 2105 173 173 ILE HG12 H 1.104 0.02 2 2106 173 173 ILE HG13 H 1.421 0.02 2 2107 173 173 ILE HG2 H 0.842 0.02 1 2108 173 173 ILE HD1 H 0.784 0.02 1 2109 173 173 ILE C C 175.643 0.3 1 2110 173 173 ILE CA C 59.735 0.3 1 2111 173 173 ILE CB C 40.597 0.3 1 2112 173 173 ILE CG1 C 26.783 0.3 1 2113 173 173 ILE CG2 C 17.466 0.3 1 2114 173 173 ILE CD1 C 12.996 0.3 1 2115 173 173 ILE N N 120.434 0.3 1 2116 174 174 TYR H H 8.883 0.02 1 2117 174 174 TYR HA H 5.998 0.02 1 2118 174 174 TYR HB2 H 3.061 0.02 2 2119 174 174 TYR HB3 H 2.84 0.02 2 2120 174 174 TYR HD1 H 7.179 0.02 5 2121 174 174 TYR HD2 H 7.179 0.02 5 2122 174 174 TYR HE1 H 6.892 0.02 5 2123 174 174 TYR HE2 H 6.892 0.02 5 2124 174 174 TYR C C 175.882 0.3 1 2125 174 174 TYR CA C 53.987 0.3 1 2126 174 174 TYR CB C 39.816 0.3 1 2127 174 174 TYR CD1 C 132.294 0.3 5 2128 174 174 TYR CD2 C 132.294 0.3 5 2129 174 174 TYR CE1 C 118.029 0.3 5 2130 174 174 TYR CE2 C 118.029 0.3 5 2131 174 174 TYR N N 125.33 0.3 1 2132 175 175 GLU H H 8.77 0.02 1 2133 175 175 GLU HA H 4.709 0.02 1 2134 175 175 GLU HB2 H 1.858 0.02 2 2135 175 175 GLU HB3 H 1.942 0.02 2 2136 175 175 GLU HG2 H 2.146 0.02 2 2137 175 175 GLU HG3 H 2.202 0.02 2 2138 175 175 GLU C C 175.786 0.3 1 2139 175 175 GLU CA C 54.666 0.3 1 2140 175 175 GLU CB C 33.505 0.3 1 2141 175 175 GLU CG C 35.889 0.3 1 2142 175 175 GLU N N 121.842 0.3 1 2143 176 176 THR H H 9.221 0.02 1 2144 176 176 THR HA H 4.041 0.02 1 2145 176 176 THR HB H 4.025 0.02 1 2146 176 176 THR HG2 H 0.962 0.02 1 2147 176 176 THR C C 173.916 0.3 1 2148 176 176 THR CA C 64.493 0.3 1 2149 176 176 THR CB C 68.702 0.3 1 2150 176 176 THR CG2 C 22.69 0.3 1 2151 176 176 THR N N 123.135 0.3 1 2152 177 177 LEU H H 9.193 0.02 1 2153 177 177 LEU HA H 4.343 0.02 1 2154 177 177 LEU HB2 H 1.433 0.02 1 2155 177 177 LEU HB3 H 1.395 0.02 1 2156 177 177 LEU HG H 1.564 0.02 1 2157 177 177 LEU HD1 H 0.771 0.02 1 2158 177 177 LEU HD2 H 0.805 0.02 1 2159 177 177 LEU C C 177.132 0.3 1 2160 177 177 LEU CA C 55.839 0.3 1 2161 177 177 LEU CB C 42.716 0.3 1 2162 177 177 LEU CG C 27.018 0.3 1 2163 177 177 LEU CD1 C 25.197 0.3 1 2164 177 177 LEU CD2 C 22.42 0.3 1 2165 177 177 LEU N N 129.234 0.3 1 2166 178 178 ALA H H 7.621 0.02 1 2167 178 178 ALA HA H 4.283 0.02 1 2168 178 178 ALA HB H 1.193 0.02 1 2169 178 178 ALA C C 173.457 0.3 1 2170 178 178 ALA CA C 52.040 0.3 1 2171 178 178 ALA CB C 23.45 0.3 1 2172 178 178 ALA N N 117.529 0.3 1 2173 179 179 ARG H H 8.154 0.02 1 2174 179 179 ARG HA H 4.585 0.02 1 2175 179 179 ARG HB2 H 1.534 0.02 2 2176 179 179 ARG HB3 H 1.348 0.02 2 2177 179 179 ARG HG2 H 1.204 0.02 2 2178 179 179 ARG HG3 H 1.294 0.02 5 2179 179 179 ARG HD2 H 3.101 0.02 2 2180 179 179 ARG HD3 H 3.13 0.02 2 2181 179 179 ARG C C 173.363 0.3 1 2182 179 179 ARG CA C 54.931 0.3 1 2183 179 179 ARG CB C 33.229 0.3 1 2184 179 179 ARG CG C 28.398 0.3 5 2185 179 179 ARG CD C 43.403 0.3 1 2186 179 179 ARG N N 122.538 0.3 1 2187 180 180 PHE H H 8.812 0.02 5 2188 180 180 PHE HA H 4.854 0.02 1 2189 180 180 PHE HB2 H 2.962 0.02 1 2190 180 180 PHE HB3 H 2.665 0.02 1 2191 180 180 PHE HD1 H 7.1 0.02 1 2192 180 180 PHE HD2 H 7.1 0.02 1 2193 180 180 PHE HE1 H 7.157 0.02 1 2194 180 180 PHE HE2 H 7.157 0.02 1 2195 180 180 PHE HZ H 6.995 0.02 1 2196 180 180 PHE C C 174.417 0.3 1 2197 180 180 PHE CA C 56.314 0.3 1 2198 180 180 PHE CB C 40.096 0.3 1 2199 180 180 PHE CD1 C 132.027 0.3 1 2200 180 180 PHE CD2 C 132.027 0.3 1 2201 180 180 PHE CE1 C 131.284 0.3 1 2202 180 180 PHE CE2 C 131.284 0.3 1 2203 180 180 PHE CZ C 129.51 0.3 1 2204 180 180 PHE N N 124.514 0.3 5 2205 181 181 GLU H H 8.782 0.02 1 2206 181 181 GLU HA H 4.48 0.02 1 2207 181 181 GLU HB2 H 2.207 0.02 2 2208 181 181 GLU HB3 H 2.025 0.02 2 2209 181 181 GLU HG2 H 2.591 0.02 1 2210 181 181 GLU HG3 H 2.591 0.02 1 2211 181 181 GLU C C 176.874 0.3 1 2212 181 181 GLU CA C 57.176 0.3 1 2213 181 181 GLU CB C 30.374 0.3 1 2214 181 181 GLU CG C 36.037 0.3 1 2215 181 181 GLU N N 125.63 0.3 1 2216 182 182 LEU H H 8.132 0.02 1 2217 182 182 LEU HA H 4.813 0.02 1 2218 182 182 LEU HB2 H 1.836 0.02 1 2219 182 182 LEU HB3 H 1.371 0.02 1 2220 182 182 LEU HG H 1.747 0.02 1 2221 182 182 LEU HD1 H 0.852 0.02 1 2222 182 182 LEU HD2 H 0.744 0.02 1 2223 182 182 LEU C C 176.962 0.3 1 2224 182 182 LEU CA C 55.134 0.3 1 2225 182 182 LEU CB C 41.893 0.3 1 2226 182 182 LEU CG C 29.007 0.3 1 2227 182 182 LEU CD1 C 24.114 0.3 1 2228 182 182 LEU CD2 C 25.369 0.3 1 2229 182 182 LEU N N 125.022 0.3 1 2230 183 183 SER H H 8.5 0.02 1 2231 183 183 SER HA H 4.464 0.02 1 2232 183 183 SER HB2 H 3.909 0.02 2 2233 183 183 SER HB3 H 3.947 0.02 2 2234 183 183 SER C C 173.839 0.3 1 2235 183 183 SER CA C 59.778 0.3 1 2236 183 183 SER CB C 64.132 0.3 1 2237 183 183 SER N N 114.509 0.3 1 2238 184 184 GLU H H 8.358 0.02 1 2239 184 184 GLU HA H 4.386 0.02 1 2240 184 184 GLU HB2 H 1.98 0.02 2 2241 184 184 GLU HB3 H 2.125 0.02 2 2242 184 184 GLU HG2 H 2.457 0.02 2 2243 184 184 GLU HG3 H 2.42 0.02 2 2244 184 184 GLU C C 176.153 0.3 1 2245 184 184 GLU CA C 56.292 0.3 1 2246 184 184 GLU CB C 30.919 0.3 1 2247 184 184 GLU CG C 35.676 0.3 1 2248 184 184 GLU N N 120.847 0.3 1 2249 185 185 HIS H H 8.517 0.02 1 2250 185 185 HIS HA H 4.727 0.02 1 2251 185 185 HIS HB2 H 3.216 0.02 1 2252 185 185 HIS HB3 H 3.216 0.02 1 2253 185 185 HIS C C 174.141 0.3 1 2254 185 185 HIS CA C 55.354 0.3 1 2255 185 185 HIS CB C 29.358 0.3 1 2256 185 185 HIS N N 119.728 0.3 1 2257 186 186 HIS H H 8.62 0.02 1 2258 186 186 HIS HA H 4.727 0.02 1 2259 186 186 HIS HB2 H 3.228 0.02 1 2260 186 186 HIS HB3 H 3.228 0.02 1 2261 186 186 HIS C C 174.223 0.3 1 2262 186 186 HIS CA C 55.509 0.3 1 2263 186 186 HIS CB C 29.229 0.3 1 2264 186 186 HIS N N 119.87 0.3 1 2265 187 187 HIS H H 8.628 0.02 1 2266 187 187 HIS HA H 4.716 0.02 1 2267 187 187 HIS HB2 H 3.228 0.02 1 2268 187 187 HIS HB3 H 3.228 0.02 1 2269 187 187 HIS C C 174.049 0.3 1 2270 187 187 HIS CA C 55.444 0.3 1 2271 187 187 HIS CB C 29.355 0.3 1 2272 187 187 HIS N N 120.475 0.3 1 2273 188 188 HIS H H 8.504 0.02 1 2274 188 188 HIS HA H 4.727 0.02 1 2275 188 188 HIS HB2 H 3.316 0.02 1 2276 188 188 HIS HB3 H 3.316 0.02 1 2277 188 188 HIS C C 173.484 0.3 1 2278 188 188 HIS CA C 55.614 0.3 1 2279 188 188 HIS CB C 29.569 0.3 1 2280 188 188 HIS N N 120.479 0.3 1 2281 189 189 HIS H H 8.522 0.02 1 2282 189 189 HIS HA H 4.663 0.02 1 2283 189 189 HIS HB2 H 3.13 0.02 2 2284 189 189 HIS HB3 H 3.247 0.02 2 2285 189 189 HIS C C 178.783 0.3 1 2286 189 189 HIS CA C 55.564 0.3 1 2287 189 189 HIS CB C 29.536 0.3 1 2288 189 189 HIS N N 119.424 0.3 1 2289 190 190 HIS H H 8.325 0.02 1 2290 190 190 HIS CA C 57.347 0.3 1 2291 190 190 HIS CB C 29.687 0.3 1 2292 190 190 HIS N N 125.522 0.3 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 8 1805 '1,1798' '120,405,1461' '115,116,400,401,1456,1457' '163,1179,1329' '159,1175,1325' '185,789' '172,783' '346,1538' '340,1531' '361,1039' '351,1033' '459,542,543,991,992,1628,1629' '451,534,535,983,984,1620,1621' '460,1896' '452,1888' '522,1446' '512,1436' '589,677' '583,583,583,671,671,671' '596,901' '592,896' '608,619' '603,613' '631,650' '623,644' '674,1310' '667,1303' '740,856' '727,840' '738,1595,1767' '732,732,732,1590,1590,1590,1761,1761,1761' '764,2079' '754,1633,2069' '805,1250,1288' '798,799,1243,1281,1282' '882,2129,2130' '878,2122,2123' '1029,1066' '1022,1061' '1083,1979' '1070,1966' '1322,1785' '1315,1769' '1320,1350' '1316,1343' '1374,1733' '1364,1726' '1611,2184' '1604,2178' '1640,1921' '1635,1635,1635,1916,1916,1916' '1847,1933' '1840,1923' '1865,2204' '1848,2187' '1892,1893,2127,2128' '1884,1885,2120,2121' stop_ save_