data_11458 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal RNA recognition motif of NonO ; _BMRB_accession_number 11458 _BMRB_flat_file_name bmr11458.str _Entry_type original _Submission_date 2011-11-29 _Accession_date 2011-11-30 _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 Nagata Takashi . . 2 Muto Yutaka . . 3 Inoue Makoto . . 4 Kigawa Takanori . . 5 Terada Takaho . . 6 Shirouzu Makiko . . 7 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 531 "13C chemical shifts" 391 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-18 original author . stop_ _Original_release_date 2012-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the N-terminal RNA recognition motif of NonO' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagata Takashi . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal RNA recognition motif of NonO' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal RNA recognition motif of NonO' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10909.508 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GSSGSSGGEKTFTQRSRLFV GNLPPDITEEEMRKLFEKYG KAGEVFIHKDKGFGFIRLET RTLAEIAKVELDNMPLRGKQ LRVRFACHSASLTSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 GLY 2 62 SER 3 63 SER 4 64 GLY 5 65 SER 6 66 SER 7 67 GLY 8 68 GLY 9 69 GLU 10 70 LYS 11 71 THR 12 72 PHE 13 73 THR 14 74 GLN 15 75 ARG 16 76 SER 17 77 ARG 18 78 LEU 19 79 PHE 20 80 VAL 21 81 GLY 22 82 ASN 23 83 LEU 24 84 PRO 25 85 PRO 26 86 ASP 27 87 ILE 28 88 THR 29 89 GLU 30 90 GLU 31 91 GLU 32 92 MET 33 93 ARG 34 94 LYS 35 95 LEU 36 96 PHE 37 97 GLU 38 98 LYS 39 99 TYR 40 100 GLY 41 101 LYS 42 102 ALA 43 103 GLY 44 104 GLU 45 105 VAL 46 106 PHE 47 107 ILE 48 108 HIS 49 109 LYS 50 110 ASP 51 111 LYS 52 112 GLY 53 113 PHE 54 114 GLY 55 115 PHE 56 116 ILE 57 117 ARG 58 118 LEU 59 119 GLU 60 120 THR 61 121 ARG 62 122 THR 63 123 LEU 64 124 ALA 65 125 GLU 66 126 ILE 67 127 ALA 68 128 LYS 69 129 VAL 70 130 GLU 71 131 LEU 72 132 ASP 73 133 ASN 74 134 MET 75 135 PRO 76 136 LEU 77 137 ARG 78 138 GLY 79 139 LYS 80 140 GLN 81 141 LEU 82 142 ARG 83 143 VAL 84 144 ARG 85 145 PHE 86 146 ALA 87 147 CYS 88 148 HIS 89 149 SER 90 150 ALA 91 151 SER 92 152 LEU 93 153 THR 94 154 SER 95 155 GLY 96 156 PRO 97 157 SER 98 158 SER 99 159 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2CPJ "Solution Structure Of The N-Terminal Rna Recognition Motif Of Nono" 100.00 99 100.00 100.00 5.08e-64 PDB 2RS8 "Solution Structure Of The N-Terminal Rna Recognition Motif Of Nono" 100.00 99 100.00 100.00 5.08e-64 PDB 3SDE "Crystal Structure Of A Paraspeckle-Protein Heterodimer, Pspc1NONO" 86.87 261 100.00 100.00 2.42e-53 DBJ BAB23598 "unnamed protein product [Mus musculus]" 86.87 257 100.00 100.00 7.71e-54 DBJ BAB28857 "unnamed protein product [Mus musculus]" 85.86 203 97.65 98.82 8.13e-53 DBJ BAC25890 "unnamed protein product [Mus musculus]" 86.87 473 100.00 100.00 6.63e-52 DBJ BAE01678 "unnamed protein product [Macaca fascicularis]" 86.87 471 98.84 100.00 1.87e-51 DBJ BAE26278 "unnamed protein product [Mus musculus]" 86.87 475 100.00 100.00 6.25e-52 EMBL CAA72157 "p54nrb [Homo sapiens]" 86.87 471 100.00 100.00 8.59e-52 EMBL CAG32298 "hypothetical protein RCJMB04_22g22 [Gallus gallus]" 86.87 473 100.00 100.00 1.72e-51 EMBL CAG33042 "NONO [Homo sapiens]" 86.87 471 100.00 100.00 7.11e-52 EMBL CAH89438 "hypothetical protein [Pongo abelii]" 86.87 471 100.00 100.00 7.11e-52 EMBL CAJ18449 "Nono [Mus musculus]" 86.87 473 100.00 100.00 6.63e-52 GB AAA03427 "54 kDa protein [Homo sapiens]" 86.87 471 100.00 100.00 8.59e-52 GB AAB27887 "NonO [Mus sp.]" 86.87 473 98.84 98.84 3.30e-51 GB AAC37578 "unnamed protein product [Homo sapiens]" 85.86 471 100.00 100.00 4.41e-51 GB AAC51852 "nuclear matrix protein 55 [Homo sapiens]" 86.87 471 100.00 100.00 7.11e-52 GB AAH02364 "Non-POU domain containing, octamer-binding [Homo sapiens]" 86.87 471 100.00 100.00 7.11e-52 PIR A54691 "octamer-binding protein NonO - mouse" 86.87 473 98.84 98.84 3.30e-51 REF NP_001012356 "non-POU domain-containing octamer-binding protein [Rattus norvegicus]" 86.87 476 100.00 100.00 6.29e-52 REF NP_001026703 "non-POU domain-containing octamer-binding protein [Gallus gallus]" 86.87 473 100.00 100.00 1.72e-51 REF NP_001040019 "non-POU domain-containing octamer-binding protein [Bos taurus]" 86.87 470 100.00 100.00 7.21e-52 REF NP_001124612 "non-POU domain-containing octamer-binding protein [Pongo abelii]" 86.87 471 100.00 100.00 7.11e-52 REF NP_001138880 "non-POU domain-containing octamer-binding protein isoform 1 [Homo sapiens]" 86.87 471 100.00 100.00 7.11e-52 SP Q15233 "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein; AltName: Full=54 kDa nuclear RNA- and DNA-" 86.87 471 100.00 100.00 7.11e-52 SP Q5FVM4 "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" 86.87 476 100.00 100.00 6.29e-52 SP Q5RFL9 "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" 86.87 471 100.00 100.00 7.11e-52 SP Q99K48 "RecName: Full=Non-POU domain-containing octamer-binding protein; Short=NonO protein" 86.87 473 100.00 100.00 6.63e-52 TPG DAA12926 "TPA: non-POU domain containing, octamer-binding [Bos taurus]" 86.87 470 100.00 100.00 7.21e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity 'recombinant technology' 'E. coli' Eschrichia Coli . 'not applicable' 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 $entity 1.2 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-100% 2H]' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . 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_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_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 water C 13 protons ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.784 internal indirect . . . 1.0 water N 15 protons ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal RNA recognition motif of NonO' _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 67 7 GLY C C 174.725 0.3 1 2 67 7 GLY CA C 45.487 0.3 1 3 68 8 GLY H H 8.24 0.03 1 4 68 8 GLY C C 174.19 0.3 1 5 68 8 GLY CA C 45.281 0.3 1 6 68 8 GLY N N 108.791 0.3 1 7 69 9 GLU H H 8.397 0.03 1 8 69 9 GLU HA H 4.227 0.03 1 9 69 9 GLU HB2 H 2 0.03 2 10 69 9 GLU HB3 H 1.932 0.03 2 11 69 9 GLU HG2 H 2.245 0.03 1 12 69 9 GLU HG3 H 2.245 0.03 1 13 69 9 GLU C C 176.804 0.3 1 14 69 9 GLU CA C 56.758 0.3 1 15 69 9 GLU CB C 30.168 0.3 1 16 69 9 GLU CG C 36.189 0.3 1 17 69 9 GLU N N 120.883 0.3 1 18 70 10 LYS H H 8.447 0.03 1 19 70 10 LYS HA H 4.324 0.03 1 20 70 10 LYS HB2 H 1.716 0.03 2 21 70 10 LYS HB3 H 1.781 0.03 2 22 70 10 LYS HG2 H 1.383 0.03 2 23 70 10 LYS HG3 H 1.44 0.03 2 24 70 10 LYS HD2 H 1.657 0.03 1 25 70 10 LYS HD3 H 1.657 0.03 1 26 70 10 LYS HE2 H 2.966 0.03 1 27 70 10 LYS HE3 H 2.966 0.03 1 28 70 10 LYS C C 176.645 0.3 1 29 70 10 LYS CA C 56.333 0.3 1 30 70 10 LYS CB C 32.805 0.3 1 31 70 10 LYS CG C 24.813 0.3 1 32 70 10 LYS CD C 29.068 0.3 1 33 70 10 LYS CE C 42.196 0.3 1 34 70 10 LYS N N 122.216 0.3 1 35 71 11 THR H H 7.969 0.03 1 36 71 11 THR HA H 4.426 0.03 1 37 71 11 THR HB H 4.102 0.03 1 38 71 11 THR HG2 H 1.085 0.03 1 39 71 11 THR C C 174.442 0.3 1 40 71 11 THR CA C 60.927 0.3 1 41 71 11 THR CB C 70.377 0.3 1 42 71 11 THR CG2 C 21.837 0.3 1 43 71 11 THR N N 113.038 0.3 1 44 72 12 PHE H H 8.445 0.03 1 45 72 12 PHE HA H 4.409 0.03 1 46 72 12 PHE HB2 H 3.137 0.03 2 47 72 12 PHE HB3 H 3.068 0.03 2 48 72 12 PHE HD1 H 7.095 0.03 1 49 72 12 PHE HD2 H 7.095 0.03 1 50 72 12 PHE HE1 H 7.181 0.03 1 51 72 12 PHE HE2 H 7.181 0.03 1 52 72 12 PHE HZ H 7.167 0.03 1 53 72 12 PHE C C 176.207 0.3 1 54 72 12 PHE CA C 58.363 0.3 1 55 72 12 PHE CB C 38.164 0.3 1 56 72 12 PHE CD1 C 131.685 0.3 1 57 72 12 PHE CD2 C 131.685 0.3 1 58 72 12 PHE CE1 C 131.31 0.3 1 59 72 12 PHE CE2 C 131.31 0.3 1 60 72 12 PHE CZ C 129.435 0.3 1 61 72 12 PHE N N 118.294 0.3 1 62 73 13 THR H H 8.049 0.03 1 63 73 13 THR HA H 4.389 0.03 1 64 73 13 THR HB H 4.36 0.03 1 65 73 13 THR HG2 H 1.12 0.03 1 66 73 13 THR C C 175.142 0.3 1 67 73 13 THR CA C 61.777 0.3 1 68 73 13 THR CB C 70.408 0.3 1 69 73 13 THR CG2 C 21.609 0.3 1 70 73 13 THR N N 112.571 0.3 1 71 74 14 GLN HG2 H 2.367 0.03 1 72 74 14 GLN HG3 H 2.367 0.03 1 73 74 14 GLN HE21 H 7.437 0.03 2 74 74 14 GLN HE22 H 6.826 0.03 2 75 74 14 GLN NE2 N 112.042 0.3 1 76 75 15 ARG HA H 4.289 0.03 1 77 75 15 ARG HB2 H 1.691 0.03 2 78 75 15 ARG HB3 H 1.857 0.03 2 79 75 15 ARG HG2 H 1.548 0.03 1 80 75 15 ARG HG3 H 1.548 0.03 1 81 75 15 ARG HD2 H 3.081 0.03 1 82 75 15 ARG HD3 H 3.081 0.03 1 83 75 15 ARG C C 175.67 0.3 1 84 75 15 ARG CA C 56.923 0.3 1 85 75 15 ARG CB C 29.811 0.3 1 86 75 15 ARG CG C 27.55 0.3 1 87 75 15 ARG CD C 43.185 0.3 1 88 76 16 SER H H 7.856 0.03 1 89 76 16 SER HA H 4.514 0.03 1 90 76 16 SER HB2 H 3.102 0.03 2 91 76 16 SER HB3 H 3.914 0.03 2 92 76 16 SER C C 171.709 0.3 1 93 76 16 SER CA C 56.776 0.3 1 94 76 16 SER CB C 62.818 0.3 1 95 76 16 SER N N 111.466 0.3 1 96 77 17 ARG H H 7.612 0.03 1 97 77 17 ARG HA H 4.948 0.03 1 98 77 17 ARG HB2 H 1.529 0.03 2 99 77 17 ARG HB3 H 2.031 0.03 2 100 77 17 ARG HG2 H 1.427 0.03 1 101 77 17 ARG HG3 H 1.427 0.03 1 102 77 17 ARG HD2 H 2.815 0.03 2 103 77 17 ARG HD3 H 2.951 0.03 2 104 77 17 ARG C C 174.7 0.3 1 105 77 17 ARG CA C 55.311 0.3 1 106 77 17 ARG CB C 32.857 0.3 1 107 77 17 ARG CG C 28.311 0.3 1 108 77 17 ARG CD C 43.377 0.3 1 109 77 17 ARG N N 122.611 0.3 1 110 78 18 LEU H H 9.294 0.03 1 111 78 18 LEU HA H 4.903 0.03 1 112 78 18 LEU HB2 H 1.138 0.03 2 113 78 18 LEU HB3 H 1.512 0.03 2 114 78 18 LEU HG H 1.333 0.03 1 115 78 18 LEU HD1 H 0.674 0.03 1 116 78 18 LEU HD2 H 0.139 0.03 1 117 78 18 LEU C C 175.609 0.3 1 118 78 18 LEU CA C 53.555 0.3 1 119 78 18 LEU CB C 43.734 0.3 1 120 78 18 LEU CG C 26.361 0.3 1 121 78 18 LEU CD1 C 26.186 0.3 2 122 78 18 LEU CD2 C 22.532 0.3 2 123 78 18 LEU N N 127.135 0.3 1 124 79 19 PHE H H 9.291 0.03 1 125 79 19 PHE HA H 4.775 0.03 1 126 79 19 PHE HB2 H 2.683 0.03 2 127 79 19 PHE HB3 H 2.924 0.03 2 128 79 19 PHE HD1 H 6.785 0.03 1 129 79 19 PHE HD2 H 6.785 0.03 1 130 79 19 PHE HE1 H 7.178 0.03 1 131 79 19 PHE HE2 H 7.178 0.03 1 132 79 19 PHE C C 173.429 0.3 1 133 79 19 PHE CA C 56.436 0.3 1 134 79 19 PHE CB C 41.179 0.3 1 135 79 19 PHE CD1 C 131.862 0.3 1 136 79 19 PHE CD2 C 131.862 0.3 1 137 79 19 PHE CE1 C 131.685 0.3 1 138 79 19 PHE CE2 C 131.685 0.3 1 139 79 19 PHE N N 123.032 0.3 1 140 80 20 VAL H H 8.211 0.03 1 141 80 20 VAL HA H 4.746 0.03 1 142 80 20 VAL HB H 1.601 0.03 1 143 80 20 VAL HG1 H 0.775 0.03 1 144 80 20 VAL HG2 H 0.824 0.03 1 145 80 20 VAL C C 173.98 0.3 1 146 80 20 VAL CA C 60.09 0.3 1 147 80 20 VAL CB C 32.813 0.3 1 148 80 20 VAL CG1 C 20.886 0.3 2 149 80 20 VAL CG2 C 22.367 0.3 2 150 80 20 VAL N N 126.977 0.3 1 151 81 21 GLY H H 9.46 0.03 1 152 81 21 GLY HA2 H 4.667 0.03 2 153 81 21 GLY HA3 H 3.612 0.03 2 154 81 21 GLY C C 173.204 0.3 1 155 81 21 GLY CA C 43.1 0.3 1 156 81 21 GLY N N 112.68 0.3 1 157 82 22 ASN H H 8.311 0.03 1 158 82 22 ASN HA H 4.401 0.03 1 159 82 22 ASN HB2 H 2.849 0.03 2 160 82 22 ASN HB3 H 3.456 0.03 2 161 82 22 ASN HD21 H 6.86 0.03 2 162 82 22 ASN HD22 H 7.947 0.03 2 163 82 22 ASN C C 173.476 0.3 1 164 82 22 ASN CA C 53.133 0.3 1 165 82 22 ASN CB C 37.424 0.3 1 166 82 22 ASN N N 115.024 0.3 1 167 82 22 ASN ND2 N 112.006 0.3 1 168 83 23 LEU H H 7.632 0.03 1 169 83 23 LEU HA H 4.025 0.03 1 170 83 23 LEU HB2 H 1.07 0.03 2 171 83 23 LEU HB3 H 1.251 0.03 2 172 83 23 LEU HG H 1.395 0.03 1 173 83 23 LEU HD1 H 0.464 0.03 1 174 83 23 LEU HD2 H 0.582 0.03 1 175 83 23 LEU CA C 52.865 0.3 1 176 83 23 LEU CB C 41 0.3 1 177 83 23 LEU CG C 26.561 0.3 1 178 83 23 LEU CD1 C 25.561 0.3 2 179 83 23 LEU CD2 C 22.688 0.3 2 180 84 24 PRO HA H 4.547 0.03 1 181 84 24 PRO HB2 H 2.457 0.03 2 182 84 24 PRO HB3 H 2.011 0.03 2 183 84 24 PRO HG2 H 1.817 0.03 2 184 84 24 PRO HG3 H 1.935 0.03 2 185 84 24 PRO HD2 H 3.698 0.03 2 186 84 24 PRO HD3 H 3.323 0.03 2 187 84 24 PRO CA C 61.186 0.3 1 188 84 24 PRO CB C 31.023 0.3 1 189 84 24 PRO CG C 27.474 0.3 1 190 84 24 PRO CD C 49.955 0.3 1 191 85 25 PRO HA H 4.396 0.03 1 192 85 25 PRO HB2 H 2.284 0.03 2 193 85 25 PRO HB3 H 1.972 0.03 2 194 85 25 PRO HG2 H 2.063 0.03 2 195 85 25 PRO HG3 H 1.927 0.03 2 196 85 25 PRO HD2 H 3.638 0.03 2 197 85 25 PRO HD3 H 3.793 0.03 2 198 85 25 PRO C C 176.035 0.3 1 199 85 25 PRO CA C 64.163 0.3 1 200 85 25 PRO CB C 31.563 0.3 1 201 85 25 PRO CG C 27.258 0.3 1 202 85 25 PRO CD C 50.388 0.3 1 203 86 26 ASP H H 8.041 0.03 1 204 86 26 ASP HA H 4.541 0.03 1 205 86 26 ASP HB2 H 2.505 0.03 2 206 86 26 ASP HB3 H 2.972 0.03 2 207 86 26 ASP C C 176.215 0.3 1 208 86 26 ASP CA C 52 0.3 1 209 86 26 ASP CB C 39.316 0.3 1 210 86 26 ASP N N 114.544 0.3 1 211 87 27 ILE H H 7.146 0.03 1 212 87 27 ILE HA H 4.158 0.03 1 213 87 27 ILE HB H 1.705 0.03 1 214 87 27 ILE HG12 H 1.348 0.03 2 215 87 27 ILE HG13 H 1.598 0.03 2 216 87 27 ILE HG2 H 0.766 0.03 1 217 87 27 ILE HD1 H 0.797 0.03 1 218 87 27 ILE C C 172.468 0.3 1 219 87 27 ILE CA C 59.597 0.3 1 220 87 27 ILE CB C 39.179 0.3 1 221 87 27 ILE CG1 C 28.538 0.3 1 222 87 27 ILE CG2 C 18.598 0.3 1 223 87 27 ILE CD1 C 13.975 0.3 1 224 87 27 ILE N N 120.018 0.3 1 225 88 28 THR H H 6.879 0.03 1 226 88 28 THR HA H 4.695 0.03 1 227 88 28 THR HB H 4.625 0.03 1 228 88 28 THR HG2 H 1.222 0.03 1 229 88 28 THR C C 175.006 0.3 1 230 88 28 THR CA C 58.796 0.3 1 231 88 28 THR CB C 72.891 0.3 1 232 88 28 THR CG2 C 21.598 0.3 1 233 88 28 THR N N 113.306 0.3 1 234 89 29 GLU H H 9.267 0.03 1 235 89 29 GLU HA H 3.639 0.03 1 236 89 29 GLU HB2 H 1.89 0.03 2 237 89 29 GLU HB3 H 2.071 0.03 2 238 89 29 GLU HG2 H 2.14 0.03 2 239 89 29 GLU HG3 H 2.181 0.03 2 240 89 29 GLU C C 178.022 0.3 1 241 89 29 GLU CA C 60.626 0.3 1 242 89 29 GLU CB C 28.68 0.3 1 243 89 29 GLU CG C 36.776 0.3 1 244 89 29 GLU N N 122.691 0.3 1 245 90 30 GLU H H 8.703 0.03 1 246 90 30 GLU HA H 3.909 0.03 1 247 90 30 GLU HB2 H 1.872 0.03 2 248 90 30 GLU HB3 H 2.043 0.03 2 249 90 30 GLU HG2 H 2.272 0.03 1 250 90 30 GLU HG3 H 2.272 0.03 1 251 90 30 GLU C C 178.742 0.3 1 252 90 30 GLU CA C 59.848 0.3 1 253 90 30 GLU CB C 29.072 0.3 1 254 90 30 GLU CG C 36.194 0.3 1 255 90 30 GLU N N 118.615 0.3 1 256 91 31 GLU H H 7.902 0.03 1 257 91 31 GLU HA H 3.938 0.03 1 258 91 31 GLU HB2 H 1.934 0.03 2 259 91 31 GLU HB3 H 2.066 0.03 2 260 91 31 GLU HG2 H 2.288 0.03 2 261 91 31 GLU HG3 H 2.062 0.03 2 262 91 31 GLU C C 178.882 0.3 1 263 91 31 GLU CA C 59.16 0.3 1 264 91 31 GLU CB C 29.936 0.3 1 265 91 31 GLU CG C 36.186 0.3 1 266 91 31 GLU N N 121.075 0.3 1 267 92 32 MET H H 8.153 0.03 1 268 92 32 MET HA H 4.061 0.03 1 269 92 32 MET HB2 H 2.006 0.03 2 270 92 32 MET HB3 H 2.075 0.03 2 271 92 32 MET HG2 H 2.338 0.03 2 272 92 32 MET HG3 H 2.396 0.03 2 273 92 32 MET HE H 1.696 0.03 1 274 92 32 MET C C 177.668 0.3 1 275 92 32 MET CA C 59.037 0.3 1 276 92 32 MET CB C 32.732 0.3 1 277 92 32 MET CG C 33.177 0.3 1 278 92 32 MET CE C 17.497 0.3 1 279 92 32 MET N N 118.949 0.3 1 280 93 33 ARG H H 8.396 0.03 1 281 93 33 ARG HA H 3.817 0.03 1 282 93 33 ARG HB2 H 1.827 0.03 2 283 93 33 ARG HB3 H 1.86 0.03 2 284 93 33 ARG HG2 H 1.464 0.03 1 285 93 33 ARG HG3 H 1.464 0.03 1 286 93 33 ARG HD2 H 3.281 0.03 2 287 93 33 ARG HD3 H 3.132 0.03 2 288 93 33 ARG C C 179.758 0.3 1 289 93 33 ARG CA C 60.502 0.3 1 290 93 33 ARG CB C 29.689 0.3 1 291 93 33 ARG CG C 29.762 0.3 1 292 93 33 ARG CD C 43.018 0.3 1 293 93 33 ARG N N 116.696 0.3 1 294 94 34 LYS H H 7.947 0.03 1 295 94 34 LYS HA H 4.07 0.03 1 296 94 34 LYS HB2 H 1.904 0.03 2 297 94 34 LYS HB3 H 1.973 0.03 2 298 94 34 LYS HG2 H 1.495 0.03 2 299 94 34 LYS HG3 H 1.467 0.03 2 300 94 34 LYS HD2 H 1.657 0.03 1 301 94 34 LYS HD3 H 1.657 0.03 1 302 94 34 LYS HE2 H 2.912 0.03 1 303 94 34 LYS HE3 H 2.912 0.03 1 304 94 34 LYS C C 179.608 0.3 1 305 94 34 LYS CA C 58.941 0.3 1 306 94 34 LYS CB C 31.87 0.3 1 307 94 34 LYS CG C 24.835 0.3 1 308 94 34 LYS CD C 28.62 0.3 1 309 94 34 LYS CE C 42.113 0.3 1 310 94 34 LYS N N 120.08 0.3 1 311 95 35 LEU H H 8.224 0.03 1 312 95 35 LEU HA H 3.998 0.03 1 313 95 35 LEU HB2 H 1.444 0.03 2 314 95 35 LEU HB3 H 1.94 0.03 2 315 95 35 LEU HG H 1.681 0.03 1 316 95 35 LEU HD1 H 0.777 0.03 1 317 95 35 LEU HD2 H 0.76 0.03 1 318 95 35 LEU C C 178.035 0.3 1 319 95 35 LEU CA C 57.517 0.3 1 320 95 35 LEU CB C 42.179 0.3 1 321 95 35 LEU CG C 26.274 0.3 1 322 95 35 LEU CD1 C 24.41 0.3 2 323 95 35 LEU CD2 C 23.586 0.3 2 324 95 35 LEU N N 120.869 0.3 1 325 96 36 PHE H H 7.345 0.03 1 326 96 36 PHE HA H 4.645 0.03 1 327 96 36 PHE HB2 H 2.702 0.03 2 328 96 36 PHE HB3 H 3.506 0.03 2 329 96 36 PHE HD1 H 7.463 0.03 1 330 96 36 PHE HD2 H 7.463 0.03 1 331 96 36 PHE HE1 H 6.905 0.03 1 332 96 36 PHE HE2 H 6.905 0.03 1 333 96 36 PHE HZ H 6.785 0.03 1 334 96 36 PHE C C 176.904 0.3 1 335 96 36 PHE CA C 58.445 0.3 1 336 96 36 PHE CB C 39.982 0.3 1 337 96 36 PHE CD1 C 132.185 0.3 1 338 96 36 PHE CD2 C 132.185 0.3 1 339 96 36 PHE CE1 C 130.81 0.3 1 340 96 36 PHE CE2 C 130.81 0.3 1 341 96 36 PHE CZ C 128.935 0.3 1 342 96 36 PHE N N 112.12 0.3 1 343 97 37 GLU H H 7.701 0.03 1 344 97 37 GLU HA H 4.185 0.03 1 345 97 37 GLU HB2 H 2.104 0.03 2 346 97 37 GLU HB3 H 2.281 0.03 2 347 97 37 GLU HG2 H 2.405 0.03 2 348 97 37 GLU HG3 H 2.249 0.03 2 349 97 37 GLU C C 177.401 0.3 1 350 97 37 GLU CA C 59.686 0.3 1 351 97 37 GLU CB C 29.473 0.3 1 352 97 37 GLU CG C 35.86 0.3 1 353 97 37 GLU N N 124.134 0.3 1 354 101 38 LYS H H 8.212 0.03 1 355 101 38 LYS HA H 3.919 0.03 1 356 101 38 LYS HB2 H 0.885 0.03 2 357 101 38 LYS HB3 H 1.318 0.03 2 358 101 38 LYS HG2 H 0.848 0.03 2 359 101 38 LYS HG3 H 0.78 0.03 2 360 101 38 LYS HD2 H 1.446 0.03 2 361 101 38 LYS HD3 H 1.392 0.03 2 362 101 38 LYS HE2 H 2.828 0.03 2 363 101 38 LYS HE3 H 2.766 0.03 2 364 101 38 LYS C C 176.553 0.3 1 365 101 38 LYS CA C 57.767 0.3 1 366 101 38 LYS CB C 31.688 0.3 1 367 101 38 LYS CG C 24.186 0.3 1 368 101 38 LYS CD C 29.122 0.3 1 369 101 38 LYS CE C 41.686 0.3 1 370 101 38 LYS N N 118.238 0.3 1 371 99 39 TYR H H 7.641 0.03 1 372 99 39 TYR HA H 4.577 0.03 1 373 99 39 TYR HB2 H 2.884 0.03 2 374 99 39 TYR HB3 H 3.443 0.03 2 375 99 39 TYR HD1 H 7.075 0.03 1 376 99 39 TYR HD2 H 7.075 0.03 1 377 99 39 TYR HE1 H 6.62 0.03 1 378 99 39 TYR HE2 H 6.62 0.03 1 379 99 39 TYR C C 174.582 0.3 1 380 99 39 TYR CA C 56.684 0.3 1 381 99 39 TYR CB C 38.098 0.3 1 382 99 39 TYR CD1 C 132.81 0.3 1 383 99 39 TYR CD2 C 132.81 0.3 1 384 99 39 TYR CE1 C 117.935 0.3 1 385 99 39 TYR CE2 C 117.935 0.3 1 386 99 39 TYR N N 117.805 0.3 1 387 103 40 GLY H H 7.461 0.03 1 388 103 40 GLY HA2 H 3.749 0.03 2 389 103 40 GLY HA3 H 4.324 0.03 2 390 103 40 GLY C C 172.956 0.3 1 391 103 40 GLY CA C 44.546 0.3 1 392 103 40 GLY N N 105.937 0.3 1 393 101 41 LYS H H 8.482 0.03 1 394 101 41 LYS HA H 4.203 0.03 1 395 101 41 LYS HB2 H 1.77 0.03 1 396 101 41 LYS HB3 H 1.77 0.03 1 397 101 41 LYS HG2 H 1.467 0.03 2 398 101 41 LYS HG3 H 1.392 0.03 2 399 101 41 LYS HD2 H 1.671 0.03 1 400 101 41 LYS HD3 H 1.671 0.03 1 401 101 41 LYS HE2 H 2.948 0.03 1 402 101 41 LYS HE3 H 2.948 0.03 1 403 101 41 LYS C C 176.45 0.3 1 404 101 41 LYS CA C 56.657 0.3 1 405 101 41 LYS CB C 33.061 0.3 1 406 101 41 LYS CG C 24.811 0.3 1 407 101 41 LYS CD C 29.196 0.3 1 408 101 41 LYS CE C 42.113 0.3 1 409 101 41 LYS N N 120.883 0.3 1 410 102 42 ALA H H 8.558 0.03 1 411 102 42 ALA HA H 4.867 0.03 1 412 102 42 ALA HB H 1.261 0.03 1 413 102 42 ALA C C 177.895 0.3 1 414 102 42 ALA CA C 50.886 0.3 1 415 102 42 ALA CB C 20.072 0.3 1 416 102 42 ALA N N 126.807 0.3 1 417 103 43 GLY H H 8.637 0.03 1 418 103 43 GLY HA2 H 3.367 0.03 2 419 103 43 GLY HA3 H 4.097 0.03 2 420 103 43 GLY C C 172.556 0.3 1 421 103 43 GLY CA C 44.746 0.3 1 422 103 43 GLY N N 110.882 0.3 1 423 104 44 GLU H H 7.897 0.03 1 424 104 44 GLU HA H 4.106 0.03 1 425 104 44 GLU HB2 H 1.908 0.03 1 426 104 44 GLU HB3 H 1.908 0.03 1 427 104 44 GLU HG2 H 2.188 0.03 2 428 104 44 GLU HG3 H 2.019 0.03 2 429 104 44 GLU C C 174.748 0.3 1 430 104 44 GLU CA C 56.512 0.3 1 431 104 44 GLU CB C 31.253 0.3 1 432 104 44 GLU CG C 35.86 0.3 1 433 104 44 GLU N N 121.218 0.3 1 434 105 45 VAL H H 8.195 0.03 1 435 105 45 VAL HA H 4.573 0.03 1 436 105 45 VAL HB H 1.824 0.03 1 437 105 45 VAL HG1 H 0.795 0.03 1 438 105 45 VAL HG2 H 0.795 0.03 1 439 105 45 VAL C C 174.521 0.3 1 440 105 45 VAL CA C 61.804 0.3 1 441 105 45 VAL CB C 34.429 0.3 1 442 105 45 VAL CG1 C 21.682 0.3 2 443 105 45 VAL CG2 C 21.682 0.3 2 444 105 45 VAL N N 123.299 0.3 1 445 106 46 PHE H H 8.795 0.03 1 446 106 46 PHE HA H 4.801 0.03 1 447 106 46 PHE HB2 H 2.859 0.03 2 448 106 46 PHE HB3 H 3.049 0.03 2 449 106 46 PHE HD1 H 7.134 0.03 1 450 106 46 PHE HD2 H 7.134 0.03 1 451 106 46 PHE C C 173.635 0.3 1 452 106 46 PHE CA C 56.841 0.3 1 453 106 46 PHE CB C 42.68 0.3 1 454 106 46 PHE CD1 C 131.435 0.3 1 455 106 46 PHE CD2 C 131.435 0.3 1 456 106 46 PHE N N 127.631 0.3 1 457 107 47 ILE H H 8.242 0.03 1 458 107 47 ILE HA H 4.007 0.03 1 459 107 47 ILE HB H 1.375 0.03 1 460 107 47 ILE HG12 H 0.618 0.03 2 461 107 47 ILE HG13 H 1.255 0.03 2 462 107 47 ILE HG2 H 0.439 0.03 1 463 107 47 ILE HD1 H 0.505 0.03 1 464 107 47 ILE C C 173.887 0.3 1 465 107 47 ILE CA C 60.243 0.3 1 466 107 47 ILE CB C 40.55 0.3 1 467 107 47 ILE CG1 C 27.457 0.3 1 468 107 47 ILE CG2 C 17.223 0.3 1 469 107 47 ILE CD1 C 13.452 0.3 1 470 107 47 ILE N N 125.164 0.3 1 471 108 48 HIS H H 8.624 0.03 1 472 108 48 HIS HA H 4.569 0.03 1 473 108 48 HIS HB2 H 3.094 0.03 2 474 108 48 HIS HB3 H 3.027 0.03 2 475 108 48 HIS HD2 H 6.925 0.03 1 476 108 48 HIS HE1 H 7.848 0.03 1 477 108 48 HIS CA C 56.561 0.3 1 478 108 48 HIS CB C 31.189 0.3 1 479 108 48 HIS CD2 C 119.81 0.3 1 480 108 48 HIS CE1 C 138.81 0.3 1 481 109 49 LYS H H 8.176 0.03 1 482 109 49 LYS HA H 3.722 0.03 1 483 109 49 LYS HB2 H 1.709 0.03 1 484 109 49 LYS HB3 H 1.709 0.03 1 485 109 49 LYS HG2 H 1.319 0.03 2 486 109 49 LYS HG3 H 1.229 0.03 2 487 109 49 LYS HD2 H 1.634 0.03 2 488 109 49 LYS HD3 H 1.706 0.03 2 489 109 49 LYS HE2 H 2.966 0.03 1 490 109 49 LYS HE3 H 2.966 0.03 1 491 109 49 LYS CA C 59.544 0.3 1 492 109 49 LYS CB C 32.186 0.3 1 493 109 49 LYS CG C 24.61 0.3 1 494 109 49 LYS CD C 29.227 0.3 1 495 109 49 LYS CE C 42.084 0.3 1 496 110 50 ASP H H 7.849 0.03 1 497 110 50 ASP HA H 4.546 0.03 1 498 110 50 ASP HB2 H 2.767 0.03 1 499 110 50 ASP HB3 H 2.767 0.03 1 500 110 50 ASP CA C 55.561 0.3 1 501 110 50 ASP CB C 40.417 0.3 1 502 111 51 LYS HA H 4.291 0.03 1 503 111 51 LYS HB2 H 1.988 0.03 1 504 111 51 LYS HB3 H 1.988 0.03 1 505 111 51 LYS HG2 H 1.299 0.03 2 506 111 51 LYS HG3 H 1.244 0.03 2 507 111 51 LYS HE2 H 2.96 0.03 1 508 111 51 LYS HE3 H 2.96 0.03 1 509 111 51 LYS CG C 25.061 0.3 1 510 112 52 GLY H H 8.007 0.03 1 511 112 52 GLY HA2 H 3.994 0.03 1 512 112 52 GLY HA3 H 3.994 0.03 1 513 112 52 GLY C C 173.519 0.3 1 514 112 52 GLY CA C 47.05 0.3 1 515 113 53 PHE H H 7.114 0.03 1 516 113 53 PHE HA H 5.464 0.03 1 517 113 53 PHE HB2 H 2.61 0.03 2 518 113 53 PHE HB3 H 2.959 0.03 2 519 113 53 PHE HD1 H 6.777 0.03 1 520 113 53 PHE HD2 H 6.777 0.03 1 521 113 53 PHE HE1 H 6.645 0.03 1 522 113 53 PHE HE2 H 6.645 0.03 1 523 113 53 PHE HZ H 6.958 0.03 1 524 113 53 PHE C C 172.516 0.3 1 525 113 53 PHE CA C 54.813 0.3 1 526 113 53 PHE CB C 42.73 0.3 1 527 113 53 PHE CD1 C 132.435 0.3 1 528 113 53 PHE CD2 C 132.435 0.3 1 529 113 53 PHE CE1 C 130.935 0.3 1 530 113 53 PHE CE2 C 130.935 0.3 1 531 113 53 PHE CZ C 129.185 0.3 1 532 113 53 PHE N N 112.769 0.3 1 533 114 54 GLY H H 8.81 0.03 1 534 114 54 GLY HA2 H 3.751 0.03 2 535 114 54 GLY HA3 H 4.328 0.03 2 536 114 54 GLY C C 169.762 0.3 1 537 114 54 GLY CA C 45.214 0.3 1 538 114 54 GLY N N 107.289 0.3 1 539 115 55 PHE H H 9.167 0.03 1 540 115 55 PHE HA H 5.941 0.03 1 541 115 55 PHE HB2 H 2.731 0.03 2 542 115 55 PHE HB3 H 2.961 0.03 2 543 115 55 PHE HD1 H 7.211 0.03 1 544 115 55 PHE HD2 H 7.211 0.03 1 545 115 55 PHE HE1 H 7.511 0.03 1 546 115 55 PHE HE2 H 7.511 0.03 1 547 115 55 PHE HZ H 7.398 0.03 1 548 115 55 PHE C C 174.45 0.3 1 549 115 55 PHE CA C 55.822 0.3 1 550 115 55 PHE CB C 44.788 0.3 1 551 115 55 PHE CD1 C 132.06 0.3 1 552 115 55 PHE CD2 C 132.06 0.3 1 553 115 55 PHE CE1 C 131.185 0.3 1 554 115 55 PHE CE2 C 131.185 0.3 1 555 115 55 PHE CZ C 129.706 0.3 1 556 115 55 PHE N N 114.7 0.3 1 557 116 56 ILE H H 8.675 0.03 1 558 116 56 ILE HA H 4.939 0.03 1 559 116 56 ILE HB H 1.239 0.03 1 560 116 56 ILE HG12 H 0.5 0.03 2 561 116 56 ILE HG13 H 1.333 0.03 2 562 116 56 ILE HG2 H -0.038 0.03 1 563 116 56 ILE HD1 H 0.296 0.03 1 564 116 56 ILE C C 172.517 0.3 1 565 116 56 ILE CA C 58.804 0.3 1 566 116 56 ILE CB C 41.688 0.3 1 567 116 56 ILE CG1 C 28.418 0.3 1 568 116 56 ILE CG2 C 14.354 0.3 1 569 116 56 ILE CD1 C 14.198 0.3 1 570 116 56 ILE N N 117.453 0.3 1 571 117 57 ARG H H 8.155 0.03 1 572 117 57 ARG HA H 4.945 0.03 1 573 117 57 ARG HB2 H 1.778 0.03 2 574 117 57 ARG HB3 H 1.65 0.03 2 575 117 57 ARG HG2 H 1.526 0.03 1 576 117 57 ARG HG3 H 1.526 0.03 1 577 117 57 ARG HD2 H 3.127 0.03 2 578 117 57 ARG HD3 H 3.07 0.03 2 579 117 57 ARG HE H 7.306 0.03 1 580 117 57 ARG C C 175.01 0.3 1 581 117 57 ARG CA C 55.128 0.3 1 582 117 57 ARG CB C 33.177 0.3 1 583 117 57 ARG CG C 27.811 0.3 1 584 117 57 ARG CD C 43.438 0.3 1 585 117 57 ARG N N 126.425 0.3 1 586 118 58 LEU H H 7.986 0.03 1 587 118 58 LEU HA H 4.994 0.03 1 588 118 58 LEU HB2 H 1.629 0.03 2 589 118 58 LEU HB3 H 1.915 0.03 2 590 118 58 LEU HG H 1.566 0.03 1 591 118 58 LEU HD1 H 0.82 0.03 1 592 118 58 LEU HD2 H 0.875 0.03 1 593 118 58 LEU C C 178.409 0.3 1 594 118 58 LEU CA C 53.468 0.3 1 595 118 58 LEU CB C 43.304 0.3 1 596 118 58 LEU CG C 28.061 0.3 1 597 118 58 LEU CD1 C 26.024 0.3 2 598 118 58 LEU CD2 C 23.177 0.3 2 599 118 58 LEU N N 125.453 0.3 1 600 119 59 GLU H H 9.338 0.03 1 601 119 59 GLU HA H 3.008 0.03 1 602 119 59 GLU HB2 H 2.016 0.03 1 603 119 59 GLU HB3 H 2.016 0.03 1 604 119 59 GLU HG2 H 2.22 0.03 2 605 119 59 GLU HG3 H 2.14 0.03 2 606 119 59 GLU C C 176.903 0.3 1 607 119 59 GLU CA C 60.337 0.3 1 608 119 59 GLU CB C 31.266 0.3 1 609 119 59 GLU CG C 36.848 0.3 1 610 119 59 GLU N N 120.08 0.3 1 611 120 60 THR H H 6.854 0.03 1 612 120 60 THR HA H 4.817 0.03 1 613 120 60 THR HB H 4.621 0.03 1 614 120 60 THR HG2 H 1.196 0.03 1 615 120 60 THR C C 174.49 0.3 1 616 120 60 THR CA C 57.992 0.3 1 617 120 60 THR CB C 72.72 0.3 1 618 120 60 THR CG2 C 21.873 0.3 1 619 120 60 THR N N 100.827 0.3 1 620 121 61 ARG H H 7.777 0.03 1 621 121 61 ARG HA H 3.965 0.03 1 622 121 61 ARG HB2 H 1.738 0.03 1 623 121 61 ARG HB3 H 1.738 0.03 1 624 121 61 ARG HG2 H 1.668 0.03 1 625 121 61 ARG HG3 H 1.668 0.03 1 626 121 61 ARG HD2 H 2.996 0.03 2 627 121 61 ARG HD3 H 3.145 0.03 2 628 121 61 ARG C C 177.392 0.3 1 629 121 61 ARG CA C 58.835 0.3 1 630 121 61 ARG CB C 29.686 0.3 1 631 121 61 ARG CG C 26.978 0.3 1 632 121 61 ARG CD C 43.128 0.3 1 633 122 62 THR H H 8.073 0.03 1 634 122 62 THR HA H 3.968 0.03 1 635 122 62 THR HB H 4.025 0.03 1 636 122 62 THR HG2 H 1.262 0.03 1 637 122 62 THR C C 176.317 0.3 1 638 122 62 THR CA C 66.549 0.3 1 639 122 62 THR CB C 68.988 0.3 1 640 122 62 THR CG2 C 21.818 0.3 1 641 122 62 THR N N 114.383 0.3 1 642 123 63 LEU H H 7.517 0.03 1 643 123 63 LEU HA H 4.184 0.03 1 644 123 63 LEU HB2 H 1.62 0.03 2 645 123 63 LEU HB3 H 1.855 0.03 2 646 123 63 LEU HG H 1.663 0.03 1 647 123 63 LEU HD1 H 1.133 0.03 1 648 123 63 LEU HD2 H 1.028 0.03 1 649 123 63 LEU C C 177.957 0.3 1 650 123 63 LEU CA C 57.748 0.3 1 651 123 63 LEU CB C 42.313 0.3 1 652 123 63 LEU CG C 27.55 0.3 1 653 123 63 LEU CD1 C 25.848 0.3 2 654 123 63 LEU CD2 C 22.588 0.3 2 655 123 63 LEU N N 120.595 0.3 1 656 127 64 ALA H H 7.785 0.03 1 657 127 64 ALA HA H 4.017 0.03 1 658 127 64 ALA HB H 1.495 0.03 1 659 127 64 ALA C C 178.139 0.3 1 660 127 64 ALA CA C 55.113 0.3 1 661 127 64 ALA CB C 18.098 0.3 1 662 127 64 ALA N N 120.136 0.3 1 663 125 65 GLU H H 8.646 0.03 1 664 125 65 GLU HA H 4.098 0.03 1 665 125 65 GLU HB2 H 2.166 0.03 2 666 125 65 GLU HB3 H 2.375 0.03 2 667 125 65 GLU HG2 H 2.598 0.03 2 668 125 65 GLU HG3 H 2.449 0.03 2 669 125 65 GLU C C 179.334 0.3 1 670 125 65 GLU CA C 59.72 0.3 1 671 125 65 GLU CB C 29.429 0.3 1 672 125 65 GLU CG C 36.802 0.3 1 673 125 65 GLU N N 117.12 0.3 1 674 126 66 ILE H H 7.627 0.03 1 675 126 66 ILE HA H 3.796 0.03 1 676 126 66 ILE HB H 1.883 0.03 1 677 126 66 ILE HG12 H 1.154 0.03 2 678 126 66 ILE HG13 H 1.858 0.03 2 679 126 66 ILE HG2 H 1.047 0.03 1 680 126 66 ILE HD1 H 0.913 0.03 1 681 126 66 ILE C C 177.137 0.3 1 682 126 66 ILE CA C 64.451 0.3 1 683 126 66 ILE CB C 38.223 0.3 1 684 126 66 ILE CG1 C 28.802 0.3 1 685 126 66 ILE CG2 C 17.877 0.3 1 686 126 66 ILE CD1 C 13.564 0.3 1 687 126 66 ILE N N 119.899 0.3 1 688 127 67 ALA H H 7.942 0.03 1 689 127 67 ALA HA H 3.112 0.03 1 690 127 67 ALA HB H 0.755 0.03 1 691 127 67 ALA C C 178.702 0.3 1 692 127 67 ALA CA C 55 0.3 1 693 127 67 ALA CB C 18.028 0.3 1 694 127 67 ALA N N 122.526 0.3 1 695 128 68 LYS H H 8.014 0.03 1 696 128 68 LYS HA H 3.58 0.03 1 697 128 68 LYS HB2 H 1.807 0.03 2 698 128 68 LYS HB3 H 1.565 0.03 2 699 128 68 LYS HG2 H 1.052 0.03 2 700 128 68 LYS HG3 H 1.197 0.03 2 701 128 68 LYS HD2 H 1.431 0.03 1 702 128 68 LYS HD3 H 1.431 0.03 1 703 128 68 LYS HE2 H 3.057 0.03 1 704 128 68 LYS HE3 H 3.057 0.03 1 705 128 68 LYS C C 177.966 0.3 1 706 128 68 LYS CA C 60.223 0.3 1 707 128 68 LYS CB C 31.993 0.3 1 708 128 68 LYS CG C 24.259 0.3 1 709 128 68 LYS CD C 30.019 0.3 1 710 128 68 LYS CE C 42.196 0.3 1 711 128 68 LYS N N 115.852 0.3 1 712 129 69 VAL H H 7.451 0.03 1 713 129 69 VAL HA H 3.797 0.03 1 714 129 69 VAL HB H 2.221 0.03 1 715 129 69 VAL HG1 H 1.002 0.03 1 716 129 69 VAL HG2 H 1.144 0.03 1 717 129 69 VAL C C 178.911 0.3 1 718 129 69 VAL CA C 65.311 0.3 1 719 129 69 VAL CB C 31.855 0.3 1 720 129 69 VAL CG1 C 21.186 0.3 2 721 129 69 VAL CG2 C 22.697 0.3 2 722 129 69 VAL N N 115.75 0.3 1 723 130 70 GLU H H 8.219 0.03 1 724 130 70 GLU HA H 4.074 0.03 1 725 130 70 GLU HB2 H 1.931 0.03 2 726 130 70 GLU HB3 H 2.046 0.03 2 727 130 70 GLU HG2 H 2.763 0.03 2 728 130 70 GLU HG3 H 2.16 0.03 2 729 130 70 GLU C C 178.587 0.3 1 730 130 70 GLU CA C 59.432 0.3 1 731 130 70 GLU CB C 29.566 0.3 1 732 130 70 GLU CG C 37.732 0.3 1 733 130 70 GLU N N 118.13 0.3 1 734 131 71 LEU H H 8.417 0.03 1 735 131 71 LEU HA H 4.395 0.03 1 736 131 71 LEU HB2 H 1.197 0.03 2 737 131 71 LEU HB3 H 1.633 0.03 2 738 131 71 LEU HG H 1.547 0.03 1 739 131 71 LEU HD1 H 0.14 0.03 1 740 131 71 LEU HD2 H 0.65 0.03 1 741 131 71 LEU C C 177.058 0.3 1 742 131 71 LEU CA C 55.32 0.3 1 743 131 71 LEU CB C 43.438 0.3 1 744 131 71 LEU CG C 27.121 0.3 1 745 131 71 LEU CD1 C 26.136 0.3 2 746 131 71 LEU CD2 C 23.223 0.3 2 747 131 71 LEU N N 117.418 0.3 1 748 132 72 ASP H H 7.605 0.03 1 749 132 72 ASP HA H 4.256 0.03 1 750 132 72 ASP HB2 H 3.215 0.03 2 751 132 72 ASP HB3 H 2.573 0.03 2 752 132 72 ASP C C 177.953 0.3 1 753 132 72 ASP CA C 57.276 0.3 1 754 132 72 ASP CB C 40.482 0.3 1 755 132 72 ASP N N 117.348 0.3 1 756 133 73 ASN H H 8.738 0.03 1 757 133 73 ASN HA H 4.392 0.03 1 758 133 73 ASN HB2 H 2.972 0.03 1 759 133 73 ASN HB3 H 2.972 0.03 1 760 133 73 ASN HD21 H 6.632 0.03 2 761 133 73 ASN HD22 H 7.536 0.03 2 762 133 73 ASN C C 174.365 0.3 1 763 133 73 ASN CA C 55.36 0.3 1 764 133 73 ASN CB C 38.223 0.3 1 765 133 73 ASN N N 120.482 0.3 1 766 133 73 ASN ND2 N 114.033 0.3 1 767 134 74 MET H H 8.056 0.03 1 768 134 74 MET HA H 4.505 0.03 1 769 134 74 MET HB2 H 2.016 0.03 2 770 134 74 MET HB3 H 2.246 0.03 2 771 134 74 MET HG2 H 2.507 0.03 2 772 134 74 MET HG3 H 2.569 0.03 2 773 134 74 MET HE H 2.03 0.03 1 774 134 74 MET C C 174.285 0.3 1 775 134 74 MET CA C 54.493 0.3 1 776 134 74 MET CB C 33.866 0.3 1 777 134 74 MET CG C 31.445 0.3 1 778 134 74 MET CE C 17.818 0.3 1 779 134 74 MET N N 122.426 0.3 1 780 135 75 PRO HA H 4.97 0.03 1 781 135 75 PRO HB2 H 2.074 0.03 2 782 135 75 PRO HB3 H 1.883 0.03 2 783 135 75 PRO HG2 H 1.961 0.03 2 784 135 75 PRO HG3 H 2.191 0.03 2 785 135 75 PRO HD2 H 3.745 0.03 2 786 135 75 PRO HD3 H 3.998 0.03 2 787 135 75 PRO C C 176.862 0.3 1 788 135 75 PRO CA C 61.813 0.3 1 789 135 75 PRO CB C 31.831 0.3 1 790 135 75 PRO CG C 27.625 0.3 1 791 135 75 PRO CD C 50.806 0.3 1 792 136 76 LEU H H 8.905 0.03 1 793 136 76 LEU HA H 4.413 0.03 1 794 136 76 LEU HB2 H 1.133 0.03 2 795 136 76 LEU HB3 H 1.723 0.03 2 796 136 76 LEU HG H 1.219 0.03 1 797 136 76 LEU HD1 H 0.947 0.03 1 798 136 76 LEU HD2 H 0.732 0.03 1 799 136 76 LEU C C 174.286 0.3 1 800 136 76 LEU CA C 54.938 0.3 1 801 136 76 LEU CB C 44.179 0.3 1 802 136 76 LEU CG C 27.84 0.3 1 803 136 76 LEU CD1 C 22.943 0.3 2 804 136 76 LEU CD2 C 26.316 0.3 2 805 136 76 LEU N N 125.412 0.3 1 806 137 77 ARG H H 9.193 0.03 1 807 137 77 ARG HA H 3.8 0.03 1 808 137 77 ARG HB2 H 1.769 0.03 2 809 137 77 ARG HB3 H 1.842 0.03 2 810 137 77 ARG HG2 H 1.426 0.03 2 811 137 77 ARG HG3 H 1.657 0.03 2 812 137 77 ARG HD2 H 3.171 0.03 2 813 137 77 ARG HD3 H 3.325 0.03 2 814 137 77 ARG HE H 7.97 0.03 1 815 137 77 ARG C C 175.961 0.3 1 816 137 77 ARG CA C 57.944 0.3 1 817 137 77 ARG CB C 29.072 0.3 1 818 137 77 ARG CG C 28.811 0.3 1 819 137 77 ARG CD C 43.644 0.3 1 820 137 77 ARG N N 123.886 0.3 1 821 138 78 GLY H H 8.416 0.03 1 822 138 78 GLY HA2 H 3.554 0.03 2 823 138 78 GLY HA3 H 4.207 0.03 2 824 138 78 GLY C C 174.274 0.3 1 825 138 78 GLY CA C 45.197 0.3 1 826 138 78 GLY N N 104.037 0.3 1 827 139 79 LYS H H 7.832 0.03 1 828 139 79 LYS HA H 4.519 0.03 1 829 139 79 LYS HB2 H 1.922 0.03 2 830 139 79 LYS HB3 H 2.065 0.03 2 831 139 79 LYS HG2 H 1.163 0.03 2 832 139 79 LYS HG3 H 1.318 0.03 2 833 139 79 LYS HD2 H 1.38 0.03 2 834 139 79 LYS HD3 H 1.517 0.03 2 835 139 79 LYS HE2 H 2.817 0.03 1 836 139 79 LYS HE3 H 2.817 0.03 1 837 139 79 LYS C C 176.042 0.3 1 838 139 79 LYS CA C 53.287 0.3 1 839 139 79 LYS CB C 34.109 0.3 1 840 139 79 LYS CG C 24.259 0.3 1 841 139 79 LYS CD C 28.063 0.3 1 842 139 79 LYS CE C 42.276 0.3 1 843 139 79 LYS N N 120.559 0.3 1 844 140 80 GLN H H 8.108 0.03 1 845 140 80 GLN HA H 4.469 0.03 1 846 140 80 GLN HB2 H 1.729 0.03 2 847 140 80 GLN HB3 H 1.888 0.03 2 848 140 80 GLN HG2 H 2.156 0.03 2 849 140 80 GLN HG3 H 2.055 0.03 2 850 140 80 GLN HE21 H 7.397 0.03 2 851 140 80 GLN HE22 H 6.742 0.03 2 852 140 80 GLN C C 175.224 0.3 1 853 140 80 GLN CA C 55.052 0.3 1 854 140 80 GLN CB C 29.605 0.3 1 855 140 80 GLN CG C 34.626 0.3 1 856 140 80 GLN N N 120.536 0.3 1 857 140 80 GLN NE2 N 111.073 0.3 1 858 141 81 LEU H H 8.76 0.03 1 859 141 81 LEU HA H 4.287 0.03 1 860 141 81 LEU HB2 H 1.191 0.03 2 861 141 81 LEU HB3 H 1.948 0.03 2 862 141 81 LEU HG H 1.931 0.03 1 863 141 81 LEU HD1 H 0.738 0.03 1 864 141 81 LEU HD2 H 0.707 0.03 1 865 141 81 LEU C C 176.677 0.3 1 866 141 81 LEU CA C 55.866 0.3 1 867 141 81 LEU CB C 42.679 0.3 1 868 141 81 LEU CG C 26.493 0.3 1 869 141 81 LEU CD1 C 25.287 0.3 2 870 141 81 LEU CD2 C 23.179 0.3 2 871 141 81 LEU N N 126.026 0.3 1 872 142 82 ARG H H 7.778 0.03 1 873 142 82 ARG HA H 5.12 0.03 1 874 142 82 ARG HB2 H 1.643 0.03 2 875 142 82 ARG HB3 H 1.694 0.03 2 876 142 82 ARG HG2 H 1.568 0.03 2 877 142 82 ARG HG3 H 1.634 0.03 2 878 142 82 ARG HD2 H 3.232 0.03 2 879 142 82 ARG HD3 H 3.329 0.03 2 880 142 82 ARG C C 174.819 0.3 1 881 142 82 ARG CA C 53.177 0.3 1 882 142 82 ARG CB C 31.438 0.3 1 883 142 82 ARG CG C 27.057 0.3 1 884 142 82 ARG CD C 42.57 0.3 1 885 142 82 ARG N N 121.025 0.3 1 886 143 83 VAL H H 9.009 0.03 1 887 143 83 VAL HA H 5.296 0.03 1 888 143 83 VAL HB H 1.859 0.03 1 889 143 83 VAL HG1 H 0.887 0.03 1 890 143 83 VAL HG2 H 0.892 0.03 1 891 143 83 VAL C C 174.947 0.3 1 892 143 83 VAL CA C 60.995 0.3 1 893 143 83 VAL CB C 33.368 0.3 1 894 143 83 VAL CG1 C 23.493 0.3 2 895 143 83 VAL CG2 C 21.296 0.3 2 896 143 83 VAL N N 126.389 0.3 1 897 144 84 ARG H H 9.115 0.03 1 898 144 84 ARG HA H 4.631 0.03 1 899 144 84 ARG HB2 H 2.012 0.03 2 900 144 84 ARG HB3 H 1.679 0.03 2 901 144 84 ARG HG2 H 1.418 0.03 2 902 144 84 ARG HG3 H 1.502 0.03 2 903 144 84 ARG HD2 H 3.105 0.03 2 904 144 84 ARG HD3 H 3.139 0.03 2 905 144 84 ARG C C 175.108 0.3 1 906 144 84 ARG CA C 52.947 0.3 1 907 144 84 ARG CB C 34.519 0.3 1 908 144 84 ARG CG C 26.563 0.3 1 909 144 84 ARG CD C 43.101 0.3 1 910 144 84 ARG N N 123.532 0.3 1 911 145 85 PHE H H 8.997 0.03 1 912 145 85 PHE HA H 4.568 0.03 1 913 145 85 PHE HB2 H 2.912 0.03 2 914 145 85 PHE HB3 H 3.348 0.03 2 915 145 85 PHE HD1 H 7.339 0.03 1 916 145 85 PHE HD2 H 7.339 0.03 1 917 145 85 PHE HE1 H 7.245 0.03 1 918 145 85 PHE HE2 H 7.245 0.03 1 919 145 85 PHE HZ H 7.077 0.03 1 920 145 85 PHE C C 176.976 0.3 1 921 145 85 PHE CA C 60.963 0.3 1 922 145 85 PHE CB C 38.767 0.3 1 923 145 85 PHE CD1 C 131.435 0.3 1 924 145 85 PHE CD2 C 131.435 0.3 1 925 145 85 PHE CE1 C 131.31 0.3 1 926 145 85 PHE CE2 C 131.31 0.3 1 927 145 85 PHE CZ C 128.935 0.3 1 928 145 85 PHE N N 120.432 0.3 1 929 146 86 ALA H H 8.685 0.03 1 930 146 86 ALA HA H 4.461 0.03 1 931 146 86 ALA HB H 1.456 0.03 1 932 146 86 ALA C C 177.036 0.3 1 933 146 86 ALA CA C 52.563 0.3 1 934 146 86 ALA CB C 19.555 0.3 1 935 146 86 ALA N N 125.505 0.3 1 936 147 87 CYS H H 7.511 0.03 1 937 147 87 CYS HA H 4.418 0.03 1 938 147 87 CYS HB2 H 2.828 0.03 1 939 147 87 CYS HB3 H 2.828 0.03 1 940 147 87 CYS CA C 58.544 0.3 1 941 147 87 CYS CB C 28.188 0.3 1 942 150 90 ALA HA H 4.218 0.03 1 943 150 90 ALA HB H 1.303 0.03 1 944 150 90 ALA CA C 52.619 0.3 1 945 150 90 ALA CB C 19.067 0.3 1 946 154 91 SER HA H 4.316 0.03 1 947 154 91 SER HB2 H 3.762 0.03 1 948 154 91 SER HB3 H 3.762 0.03 1 949 154 91 SER C C 174.62 0.3 1 950 154 91 SER CA C 58.296 0.3 1 951 154 91 SER CB C 63.572 0.3 1 952 152 92 LEU H H 8.14 0.03 1 953 152 92 LEU HA H 4.316 0.03 1 954 152 92 LEU HB2 H 1.511 0.03 2 955 152 92 LEU HB3 H 1.58 0.03 2 956 152 92 LEU HG H 1.535 0.03 1 957 152 92 LEU HD1 H 0.791 0.03 1 958 152 92 LEU HD2 H 0.732 0.03 1 959 152 92 LEU C C 177.515 0.3 1 960 152 92 LEU CA C 55.366 0.3 1 961 152 92 LEU CB C 42.072 0.3 1 962 152 92 LEU CG C 27.061 0.3 1 963 152 92 LEU CD1 C 24.938 0.3 2 964 152 92 LEU CD2 C 23.148 0.3 2 965 152 92 LEU N N 123.461 0.3 1 966 153 93 THR H H 7.946 0.03 1 967 153 93 THR HA H 4.34 0.03 1 968 153 93 THR HB H 4.219 0.03 1 969 153 93 THR HG2 H 1.086 0.03 1 970 153 93 THR C C 174.454 0.3 1 971 153 93 THR CA C 61.438 0.3 1 972 153 93 THR CB C 69.635 0.3 1 973 153 93 THR CG2 C 21.427 0.3 1 974 153 93 THR N N 112.396 0.3 1 975 157 94 SER H H 8.114 0.03 1 976 157 94 SER HA H 4.447 0.03 1 977 157 94 SER HB2 H 3.808 0.03 1 978 157 94 SER HB3 H 3.808 0.03 1 979 157 94 SER C C 174.37 0.3 1 980 157 94 SER CA C 58.197 0.3 1 981 157 94 SER CB C 63.929 0.3 1 982 157 94 SER N N 117.3 0.3 1 983 155 95 GLY H H 8.169 0.03 1 984 155 95 GLY C C 171.642 0.3 1 985 155 95 GLY CA C 44.582 0.3 1 986 155 95 GLY N N 110.57 0.3 1 987 156 96 PRO HA H 4.404 0.03 1 988 156 96 PRO HB2 H 2.199 0.03 1 989 156 96 PRO HB3 H 2.199 0.03 1 990 156 96 PRO HG2 H 1.906 0.03 1 991 156 96 PRO HG3 H 1.906 0.03 1 992 156 96 PRO HD2 H 3.552 0.03 2 993 156 96 PRO HD3 H 3.5 0.03 2 994 156 96 PRO CA C 63.238 0.3 1 995 156 96 PRO CB C 32.074 0.3 1 996 156 96 PRO CG C 26.918 0.3 1 997 156 96 PRO CD C 49.67 0.3 1 stop_ save_