data_15240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the ERCC1 central domain ; _BMRB_accession_number 15240 _BMRB_flat_file_name bmr15240.str _Entry_type original _Submission_date 2007-05-07 _Accession_date 2007-05-07 _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 Tripsianes Konstantinos . . 2 Folkers Gert . . 3 Zheng Chao . . 4 Das Devashish . . 5 Grinstead Jeffrey S. . 6 Kaptein Robert . . 7 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 756 "13C chemical shifts" 443 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-07-02 update BMRB 'complete entry citation' 2007-08-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Analysis of the XPA and ssDNA-binding surfaces on the central domain of human ERCC1 reveals evidence for subfunctionalization' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17720715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tripsianes Konstantinos . . 2 Folkers Gert E. . 3 Zheng Chao . . 4 Das Devashish . . 5 Grinstead Jeffrey S. . 6 Kaptein Robert . . 7 Boelens Rolf . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 35 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5789 _Page_last 5798 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ERCC1 central' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ERCC1 central' $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 'ERCC1 central' _Molecular_mass 14153.570 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MAKSNSIIVSPRQRGNPVLK FVRNVPWEFGDVIPDYVLGQ STCALFLSLRYHNLHPDYIH GRLQSLGKNFALRVLLVQVD VKDPQQALKELAKMCILADC TLILAWSPEEAGRYLETYKA YEQKPGGLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 95 MET 2 96 ALA 3 97 LYS 4 98 SER 5 99 ASN 6 100 SER 7 101 ILE 8 102 ILE 9 103 VAL 10 104 SER 11 105 PRO 12 106 ARG 13 107 GLN 14 108 ARG 15 109 GLY 16 110 ASN 17 111 PRO 18 112 VAL 19 113 LEU 20 114 LYS 21 115 PHE 22 116 VAL 23 117 ARG 24 118 ASN 25 119 VAL 26 120 PRO 27 121 TRP 28 122 GLU 29 123 PHE 30 124 GLY 31 125 ASP 32 126 VAL 33 127 ILE 34 128 PRO 35 129 ASP 36 130 TYR 37 131 VAL 38 132 LEU 39 133 GLY 40 134 GLN 41 135 SER 42 136 THR 43 137 CYS 44 138 ALA 45 139 LEU 46 140 PHE 47 141 LEU 48 142 SER 49 143 LEU 50 144 ARG 51 145 TYR 52 146 HIS 53 147 ASN 54 148 LEU 55 149 HIS 56 150 PRO 57 151 ASP 58 152 TYR 59 153 ILE 60 154 HIS 61 155 GLY 62 156 ARG 63 157 LEU 64 158 GLN 65 159 SER 66 160 LEU 67 161 GLY 68 162 LYS 69 163 ASN 70 164 PHE 71 165 ALA 72 166 LEU 73 167 ARG 74 168 VAL 75 169 LEU 76 170 LEU 77 171 VAL 78 172 GLN 79 173 VAL 80 174 ASP 81 175 VAL 82 176 LYS 83 177 ASP 84 178 PRO 85 179 GLN 86 180 GLN 87 181 ALA 88 182 LEU 89 183 LYS 90 184 GLU 91 185 LEU 92 186 ALA 93 187 LYS 94 188 MET 95 189 CYS 96 190 ILE 97 191 LEU 98 192 ALA 99 193 ASP 100 194 CYS 101 195 THR 102 196 LEU 103 197 ILE 104 198 LEU 105 199 ALA 106 200 TRP 107 201 SER 108 202 PRO 109 203 GLU 110 204 GLU 111 205 ALA 112 206 GLY 113 207 ARG 114 208 TYR 115 209 LEU 116 210 GLU 117 211 THR 118 212 TYR 119 213 LYS 120 214 ALA 121 215 TYR 122 216 GLU 123 217 GLN 124 218 LYS 125 219 PRO 126 220 GLY 127 221 GLY 128 222 LEU 129 223 GLU 130 224 HIS 131 225 HIS 132 226 HIS 133 227 HIS 134 228 HIS 135 229 HIS 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 2A1I "Crystal Structure Of The Central Domain Of Human Ercc1" 94.07 146 98.43 98.43 6.05e-86 PDB 2JNW "Solution Structure Of A Ercc1-Xpa Heterodimer" 88.15 133 100.00 100.00 3.87e-81 PDB 2JPD "Solution Structure Of The Ercc1 Central Domain" 100.00 135 100.00 100.00 4.89e-95 DBJ BAB62810 "excision repair protein 1 [Homo sapiens]" 94.07 273 98.43 98.43 2.57e-85 DBJ BAG37398 "unnamed protein product [Homo sapiens]" 94.07 297 98.43 98.43 3.10e-85 GB AAA35810 "excision repair protein [Homo sapiens]" 94.07 297 98.43 98.43 2.60e-85 GB AAA52394 "excision repair protein [Homo sapiens]" 94.07 297 98.43 98.43 2.60e-85 GB AAC16253 "excision repair protein [Homo sapiens]" 94.07 297 98.43 98.43 2.60e-85 GB AAH08930 "Excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" 94.07 297 98.43 98.43 2.60e-85 GB AAH52813 "Excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" 94.07 323 98.43 98.43 5.66e-85 PRF 1403276A "DNA repair gene" 94.07 297 98.43 98.43 2.60e-85 REF NP_001159521 "DNA excision repair protein ERCC-1 isoform 3 [Homo sapiens]" 94.07 273 98.43 98.43 2.57e-85 REF NP_001181860 "DNA excision repair protein ERCC-1 [Pan troglodytes]" 94.07 297 98.43 98.43 2.60e-85 REF NP_001974 "DNA excision repair protein ERCC-1 isoform 2 [Homo sapiens]" 94.07 297 98.43 98.43 2.60e-85 REF NP_973730 "DNA excision repair protein ERCC-1 isoform 1 [Homo sapiens]" 94.07 323 98.43 98.43 5.66e-85 REF XP_001105868 "PREDICTED: DNA excision repair protein ERCC-1 [Macaca mulatta]" 79.26 213 98.13 99.07 7.94e-71 SP P07992 "RecName: Full=DNA excision repair protein ERCC-1" 94.07 297 98.43 98.43 2.60e-85 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 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET28b 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 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_(H)CCH_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_NOESY_15N_filtered_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY 15N filtered' _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' 0.2 . M pH 5.5 . pH pressure 1 . atm temperature 290 . 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 DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D (H)CCH 1H-13C NOESY' '2D NOESY 15N filtered' 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 'ERCC1 central' _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 96 2 ALA HA H 4.101 0.020 1 2 96 2 ALA HB H 1.499 0.020 1 3 96 2 ALA CA C 51.680 0.400 1 4 96 2 ALA CB C 19.484 0.400 1 5 97 3 LYS H H 8.764 0.020 1 6 97 3 LYS HA H 4.358 0.020 1 7 97 3 LYS HB2 H 1.768 0.020 2 8 97 3 LYS HB3 H 1.825 0.020 2 9 97 3 LYS HD2 H 1.667 0.020 2 10 97 3 LYS HD3 H 1.667 0.020 2 11 97 3 LYS HE2 H 2.971 0.020 2 12 97 3 LYS HE3 H 2.971 0.020 2 13 97 3 LYS HG2 H 1.443 0.020 2 14 97 3 LYS HG3 H 1.443 0.020 2 15 97 3 LYS CA C 56.460 0.400 1 16 97 3 LYS CB C 33.090 0.400 1 17 97 3 LYS CD C 29.256 0.400 1 18 97 3 LYS CE C 42.156 0.400 1 19 97 3 LYS CG C 24.806 0.400 1 20 97 3 LYS N N 121.125 0.400 1 21 98 4 SER H H 8.581 0.020 1 22 98 4 SER HA H 4.404 0.020 1 23 98 4 SER HB2 H 3.852 0.020 2 24 98 4 SER HB3 H 3.860 0.020 2 25 98 4 SER CA C 58.584 0.400 1 26 98 4 SER CB C 63.800 0.400 1 27 98 4 SER N N 117.434 0.400 1 28 99 5 ASN H H 8.600 0.020 1 29 99 5 ASN HA H 4.756 0.020 1 30 99 5 ASN HB2 H 2.809 0.020 2 31 99 5 ASN HB3 H 2.809 0.020 2 32 99 5 ASN HD21 H 7.646 0.020 2 33 99 5 ASN HD22 H 6.970 0.020 2 34 99 5 ASN CA C 53.297 0.400 1 35 99 5 ASN CB C 38.631 0.400 1 36 99 5 ASN N N 120.672 0.400 1 37 99 5 ASN ND2 N 112.713 0.400 1 38 100 6 SER H H 7.841 0.020 1 39 100 6 SER HA H 4.684 0.020 1 40 100 6 SER HB2 H 3.620 0.020 2 41 100 6 SER HB3 H 3.678 0.020 2 42 100 6 SER CA C 57.974 0.400 1 43 100 6 SER CB C 64.538 0.400 1 44 100 6 SER N N 114.375 0.400 1 45 101 7 ILE H H 8.602 0.020 1 46 101 7 ILE HA H 4.355 0.020 1 47 101 7 ILE HB H 1.830 0.020 1 48 101 7 ILE HD1 H 0.648 0.020 1 49 101 7 ILE HG12 H 1.829 0.020 2 50 101 7 ILE HG13 H 0.982 0.020 2 51 101 7 ILE HG2 H 0.899 0.020 1 52 101 7 ILE CA C 62.390 0.400 1 53 101 7 ILE CB C 40.248 0.400 1 54 101 7 ILE CD1 C 14.168 0.400 1 55 101 7 ILE CG1 C 28.492 0.400 1 56 101 7 ILE CG2 C 17.203 0.400 1 57 101 7 ILE N N 123.410 0.400 1 58 102 8 ILE H H 8.225 0.020 1 59 102 8 ILE HA H 5.021 0.020 1 60 102 8 ILE HB H 1.814 0.020 1 61 102 8 ILE HD1 H 0.724 0.020 1 62 102 8 ILE HG12 H 1.477 0.020 2 63 102 8 ILE HG13 H 1.285 0.020 2 64 102 8 ILE HG2 H 0.843 0.020 1 65 102 8 ILE CA C 59.394 0.400 1 66 102 8 ILE CB C 37.764 0.400 1 67 102 8 ILE CD1 C 11.178 0.400 1 68 102 8 ILE CG1 C 26.870 0.400 1 69 102 8 ILE CG2 C 19.121 0.400 1 70 102 8 ILE N N 127.264 0.400 1 71 103 9 VAL H H 9.150 0.020 1 72 103 9 VAL HA H 4.264 0.020 1 73 103 9 VAL HB H 1.567 0.020 1 74 103 9 VAL HG1 H 0.757 0.020 2 75 103 9 VAL HG2 H 0.688 0.020 2 76 103 9 VAL CA C 60.413 0.400 1 77 103 9 VAL CB C 34.665 0.400 1 78 103 9 VAL CG1 C 22.329 0.400 1 79 103 9 VAL CG2 C 21.059 0.400 1 80 103 9 VAL N N 128.645 0.400 1 81 104 10 SER H H 8.333 0.020 1 82 104 10 SER HA H 5.354 0.020 1 83 104 10 SER HB2 H 3.611 0.020 2 84 104 10 SER HB3 H 4.561 0.020 2 85 104 10 SER CA C 56.336 0.400 1 86 104 10 SER CB C 65.134 0.400 1 87 104 10 SER N N 120.829 0.400 1 88 105 11 PRO HA H 4.141 0.020 1 89 105 11 PRO HB2 H 1.858 0.020 2 90 105 11 PRO HB3 H 2.047 0.020 2 91 105 11 PRO HD2 H 4.105 0.020 2 92 105 11 PRO HD3 H 4.480 0.020 2 93 105 11 PRO HG2 H 1.838 0.020 2 94 105 11 PRO HG3 H 2.033 0.020 2 95 105 11 PRO CA C 65.069 0.400 1 96 105 11 PRO CB C 31.642 0.400 1 97 105 11 PRO CD C 51.640 0.400 1 98 105 11 PRO CG C 27.853 0.400 1 99 106 12 ARG H H 8.392 0.020 1 100 106 12 ARG HA H 4.128 0.020 1 101 106 12 ARG HB2 H 1.760 0.020 2 102 106 12 ARG HB3 H 1.921 0.020 2 103 106 12 ARG HD2 H 3.270 0.020 2 104 106 12 ARG HD3 H 3.270 0.020 2 105 106 12 ARG HG2 H 1.606 0.020 2 106 106 12 ARG HG3 H 1.606 0.020 2 107 106 12 ARG CA C 58.479 0.400 1 108 106 12 ARG CB C 30.755 0.400 1 109 106 12 ARG CD C 43.468 0.400 1 110 106 12 ARG CG C 27.573 0.400 1 111 106 12 ARG N N 119.286 0.400 1 112 107 13 GLN H H 8.438 0.020 1 113 107 13 GLN HA H 4.029 0.020 1 114 107 13 GLN HB2 H 2.050 0.020 2 115 107 13 GLN HB3 H 2.283 0.020 2 116 107 13 GLN HG2 H 1.763 0.020 2 117 107 13 GLN HG3 H 1.954 0.020 2 118 107 13 GLN CA C 54.404 0.400 1 119 107 13 GLN CB C 29.998 0.400 1 120 107 13 GLN CG C 34.509 0.400 1 121 107 13 GLN N N 115.140 0.400 1 122 108 14 ARG H H 7.442 0.020 1 123 108 14 ARG HA H 3.933 0.020 1 124 108 14 ARG HB2 H 1.629 0.020 2 125 108 14 ARG HB3 H 1.629 0.020 2 126 108 14 ARG HD2 H 3.095 0.020 2 127 108 14 ARG HD3 H 3.095 0.020 2 128 108 14 ARG HG2 H 1.577 0.020 2 129 108 14 ARG HG3 H 1.577 0.020 2 130 108 14 ARG CA C 59.280 0.400 1 131 108 14 ARG CB C 29.964 0.400 1 132 108 14 ARG CD C 43.270 0.400 1 133 108 14 ARG CG C 27.249 0.400 1 134 108 14 ARG N N 119.571 0.400 1 135 109 15 GLY H H 9.032 0.020 1 136 109 15 GLY HA2 H 3.707 0.020 2 137 109 15 GLY HA3 H 4.135 0.020 2 138 109 15 GLY CA C 44.732 0.400 1 139 109 15 GLY N N 114.207 0.400 1 140 110 16 ASN H H 8.297 0.020 1 141 110 16 ASN HA H 4.675 0.020 1 142 110 16 ASN HB2 H 2.689 0.020 2 143 110 16 ASN HB3 H 2.821 0.020 2 144 110 16 ASN HD21 H 7.462 0.020 2 145 110 16 ASN HD22 H 7.462 0.020 2 146 110 16 ASN CA C 51.760 0.400 1 147 110 16 ASN CB C 38.469 0.400 1 148 110 16 ASN N N 122.611 0.400 1 149 110 16 ASN ND2 N 110.228 0.400 1 150 111 17 PRO HA H 4.222 0.020 1 151 111 17 PRO HB2 H 1.980 0.020 2 152 111 17 PRO HB3 H 2.531 0.020 2 153 111 17 PRO HD2 H 3.959 0.020 2 154 111 17 PRO HD3 H 4.137 0.020 2 155 111 17 PRO HG2 H 2.114 0.020 2 156 111 17 PRO HG3 H 2.114 0.020 2 157 111 17 PRO CA C 65.005 0.400 1 158 111 17 PRO CB C 32.720 0.400 1 159 111 17 PRO CD C 51.704 0.400 1 160 111 17 PRO CG C 27.450 0.400 1 161 112 18 VAL H H 7.780 0.020 1 162 112 18 VAL HA H 3.544 0.020 1 163 112 18 VAL HB H 1.250 0.020 1 164 112 18 VAL HG1 H 0.781 0.020 2 165 112 18 VAL HG2 H 0.440 0.020 2 166 112 18 VAL CA C 65.797 0.400 1 167 112 18 VAL CB C 32.654 0.400 1 168 112 18 VAL CG1 C 23.460 0.400 1 169 112 18 VAL CG2 C 21.017 0.400 1 170 112 18 VAL N N 115.320 0.400 1 171 113 19 LEU H H 7.325 0.020 1 172 113 19 LEU HA H 3.432 0.020 1 173 113 19 LEU HB2 H 1.096 0.020 2 174 113 19 LEU HB3 H 1.440 0.020 2 175 113 19 LEU HD1 H 1.312 0.020 2 176 113 19 LEU HD2 H -0.192 0.020 2 177 113 19 LEU HG H 0.468 0.020 1 178 113 19 LEU CA C 57.188 0.400 1 179 113 19 LEU CB C 40.729 0.400 1 180 113 19 LEU CD1 C 26.888 0.400 1 181 113 19 LEU CD2 C 21.489 0.400 1 182 113 19 LEU CG C 25.071 0.400 1 183 113 19 LEU N N 115.128 0.400 1 184 114 20 LYS H H 7.284 0.020 1 185 114 20 LYS HA H 3.888 0.020 1 186 114 20 LYS HB2 H 1.241 0.020 2 187 114 20 LYS HB3 H 1.338 0.020 2 188 114 20 LYS HD2 H 1.521 0.020 2 189 114 20 LYS HD3 H 1.521 0.020 2 190 114 20 LYS HE2 H 2.845 0.020 2 191 114 20 LYS HE3 H 2.845 0.020 2 192 114 20 LYS HG2 H 1.164 0.020 2 193 114 20 LYS HG3 H 1.192 0.020 2 194 114 20 LYS CA C 57.752 0.400 1 195 114 20 LYS CB C 31.450 0.400 1 196 114 20 LYS CD C 28.912 0.400 1 197 114 20 LYS CE C 41.915 0.400 1 198 114 20 LYS CG C 24.764 0.400 1 199 114 20 LYS N N 116.350 0.400 1 200 115 21 PHE H H 7.695 0.020 1 201 115 21 PHE HA H 4.435 0.020 1 202 115 21 PHE HB2 H 3.037 0.020 2 203 115 21 PHE HB3 H 3.037 0.020 2 204 115 21 PHE HD1 H 7.135 0.020 1 205 115 21 PHE HD2 H 7.135 0.020 1 206 115 21 PHE HE1 H 7.238 0.020 1 207 115 21 PHE HE2 H 7.238 0.020 1 208 115 21 PHE HZ H 7.263 0.020 1 209 115 21 PHE CA C 58.358 0.400 1 210 115 21 PHE CB C 38.357 0.400 1 211 115 21 PHE CD1 C 132.522 0.400 1 212 115 21 PHE CD2 C 132.522 0.400 1 213 115 21 PHE CE1 C 133.310 0.400 1 214 115 21 PHE CE2 C 133.310 0.400 1 215 115 21 PHE CZ C 131.197 0.400 1 216 115 21 PHE N N 114.672 0.400 1 217 116 22 VAL H H 7.045 0.020 1 218 116 22 VAL HA H 4.080 0.020 1 219 116 22 VAL HB H 2.051 0.020 1 220 116 22 VAL HG1 H 0.821 0.020 2 221 116 22 VAL HG2 H 0.685 0.020 2 222 116 22 VAL CA C 62.581 0.400 1 223 116 22 VAL CB C 29.660 0.400 1 224 116 22 VAL CG1 C 23.106 0.400 1 225 116 22 VAL CG2 C 20.959 0.400 1 226 116 22 VAL N N 123.166 0.400 1 227 117 23 ARG H H 8.541 0.020 1 228 117 23 ARG HA H 4.678 0.020 1 229 117 23 ARG HB2 H 1.783 0.020 2 230 117 23 ARG HB3 H 1.844 0.020 2 231 117 23 ARG HD2 H 3.260 0.020 2 232 117 23 ARG HD3 H 3.260 0.020 2 233 117 23 ARG HG2 H 1.458 0.020 2 234 117 23 ARG HG3 H 1.552 0.020 2 235 117 23 ARG CA C 56.616 0.400 1 236 117 23 ARG CB C 33.321 0.400 1 237 117 23 ARG CD C 43.427 0.400 1 238 117 23 ARG CG C 27.036 0.400 1 239 117 23 ARG N N 123.796 0.400 1 240 118 24 ASN H H 9.808 0.020 1 241 118 24 ASN HA H 4.701 0.020 1 242 118 24 ASN HB2 H 2.604 0.020 2 243 118 24 ASN HB3 H 2.829 0.020 2 244 118 24 ASN HD21 H 8.215 0.020 2 245 118 24 ASN HD22 H 6.955 0.020 2 246 118 24 ASN CA C 54.178 0.400 1 247 118 24 ASN CB C 39.539 0.400 1 248 118 24 ASN N N 118.916 0.400 1 249 118 24 ASN ND2 N 114.977 0.400 1 250 119 25 VAL H H 7.340 0.020 1 251 119 25 VAL HA H 4.674 0.020 1 252 119 25 VAL HB H 2.115 0.020 1 253 119 25 VAL HG1 H 1.045 0.020 2 254 119 25 VAL HG2 H 0.915 0.020 2 255 119 25 VAL CA C 57.777 0.400 1 256 119 25 VAL CB C 34.506 0.400 1 257 119 25 VAL CG1 C 21.695 0.400 1 258 119 25 VAL CG2 C 20.690 0.400 1 259 119 25 VAL N N 115.507 0.400 1 260 120 26 PRO HA H 4.444 0.020 1 261 120 26 PRO HB2 H 1.860 0.020 2 262 120 26 PRO HB3 H 2.207 0.020 2 263 120 26 PRO HD2 H 3.733 0.020 2 264 120 26 PRO HD3 H 3.733 0.020 2 265 120 26 PRO HG2 H 1.873 0.020 2 266 120 26 PRO HG3 H 1.964 0.020 2 267 120 26 PRO CA C 62.357 0.400 1 268 120 26 PRO CB C 32.420 0.400 1 269 120 26 PRO CD C 50.776 0.400 1 270 120 26 PRO CG C 27.356 0.400 1 271 121 27 TRP H H 7.868 0.020 1 272 121 27 TRP HA H 5.712 0.020 1 273 121 27 TRP HB2 H 2.833 0.020 2 274 121 27 TRP HB3 H 3.174 0.020 2 275 121 27 TRP HD1 H 7.166 0.020 1 276 121 27 TRP HE1 H 9.773 0.020 1 277 121 27 TRP HE3 H 8.014 0.020 1 278 121 27 TRP HH2 H 6.862 0.020 1 279 121 27 TRP HZ2 H 7.279 0.020 1 280 121 27 TRP HZ3 H 7.593 0.020 1 281 121 27 TRP CA C 54.476 0.400 1 282 121 27 TRP CB C 32.903 0.400 1 283 121 27 TRP CD1 C 128.328 0.400 1 284 121 27 TRP CH2 C 124.075 0.400 1 285 121 27 TRP CZ2 C 114.381 0.400 1 286 121 27 TRP N N 115.904 0.400 1 287 121 27 TRP NE1 N 128.091 0.400 1 288 122 28 GLU H H 8.683 0.020 1 289 122 28 GLU HA H 4.368 0.020 1 290 122 28 GLU HB2 H 2.006 0.020 2 291 122 28 GLU HB3 H 2.006 0.020 2 292 122 28 GLU HG2 H 2.012 0.020 2 293 122 28 GLU HG3 H 2.132 0.020 2 294 122 28 GLU CA C 54.105 0.400 1 295 122 28 GLU CB C 33.586 0.400 1 296 122 28 GLU CG C 35.418 0.400 1 297 122 28 GLU N N 116.798 0.400 1 298 123 29 PHE H H 8.847 0.020 1 299 123 29 PHE HA H 6.075 0.020 1 300 123 29 PHE HB2 H 2.909 0.020 2 301 123 29 PHE HB3 H 3.131 0.020 2 302 123 29 PHE HD1 H 7.408 0.020 1 303 123 29 PHE HD2 H 7.408 0.020 1 304 123 29 PHE HE1 H 7.262 0.020 1 305 123 29 PHE HE2 H 7.262 0.020 1 306 123 29 PHE HZ H 7.376 0.020 1 307 123 29 PHE CA C 58.252 0.400 1 308 123 29 PHE CB C 40.523 0.400 1 309 123 29 PHE CD1 C 132.211 0.400 1 310 123 29 PHE CD2 C 132.211 0.400 1 311 123 29 PHE CE1 C 131.509 0.400 1 312 123 29 PHE CE2 C 131.509 0.400 1 313 123 29 PHE CZ C 129.555 0.400 1 314 123 29 PHE N N 120.471 0.400 1 315 124 30 GLY H H 8.969 0.020 1 316 124 30 GLY HA2 H 3.583 0.020 2 317 124 30 GLY HA3 H 4.329 0.020 2 318 124 30 GLY CA C 45.133 0.400 1 319 124 30 GLY N N 109.523 0.400 1 320 125 31 ASP H H 8.458 0.020 1 321 125 31 ASP HA H 4.854 0.020 1 322 125 31 ASP HB2 H 2.525 0.020 2 323 125 31 ASP HB3 H 2.767 0.020 2 324 125 31 ASP CA C 53.853 0.400 1 325 125 31 ASP CB C 39.421 0.400 1 326 125 31 ASP N N 119.548 0.400 1 327 126 32 VAL H H 7.712 0.020 1 328 126 32 VAL HA H 4.795 0.020 1 329 126 32 VAL HB H 2.021 0.020 1 330 126 32 VAL HG1 H 0.806 0.020 2 331 126 32 VAL HG2 H 0.752 0.020 2 332 126 32 VAL CA C 59.190 0.400 1 333 126 32 VAL CB C 35.846 0.400 1 334 126 32 VAL CG1 C 23.229 0.400 1 335 126 32 VAL CG2 C 15.771 0.400 1 336 126 32 VAL N N 116.990 0.400 1 337 127 33 ILE H H 8.904 0.020 1 338 127 33 ILE HA H 4.108 0.020 1 339 127 33 ILE HB H 2.044 0.020 1 340 127 33 ILE HD1 H 0.920 0.020 1 341 127 33 ILE HG12 H 1.689 0.020 2 342 127 33 ILE HG13 H 1.255 0.020 2 343 127 33 ILE HG2 H 0.932 0.020 1 344 127 33 ILE CA C 64.885 0.400 1 345 127 33 ILE CB C 35.893 0.400 1 346 127 33 ILE CD1 C 12.140 0.400 1 347 127 33 ILE CG1 C 28.642 0.400 1 348 127 33 ILE CG2 C 17.630 0.400 1 349 127 33 ILE N N 120.968 0.400 1 350 128 34 PRO HA H 4.250 0.020 1 351 128 34 PRO HB2 H 1.645 0.020 2 352 128 34 PRO HB3 H 1.882 0.020 2 353 128 34 PRO HD2 H 3.431 0.020 2 354 128 34 PRO HD3 H 3.660 0.020 2 355 128 34 PRO HG2 H 1.332 0.020 2 356 128 34 PRO HG3 H 1.510 0.020 2 357 128 34 PRO CA C 62.044 0.400 1 358 128 34 PRO CB C 30.066 0.400 1 359 128 34 PRO CD C 48.666 0.400 1 360 128 34 PRO CG C 28.574 0.400 1 361 129 35 ASP H H 6.711 0.020 1 362 129 35 ASP HA H 4.498 0.020 1 363 129 35 ASP HB2 H 2.282 0.020 2 364 129 35 ASP HB3 H 2.784 0.020 2 365 129 35 ASP CA C 57.949 0.400 1 366 129 35 ASP CB C 42.830 0.400 1 367 129 35 ASP N N 114.719 0.400 1 368 130 36 TYR H H 7.916 0.020 1 369 130 36 TYR HA H 5.074 0.020 1 370 130 36 TYR HB2 H 2.446 0.020 2 371 130 36 TYR HB3 H 2.446 0.020 2 372 130 36 TYR HD1 H 6.575 0.020 1 373 130 36 TYR HD2 H 6.575 0.020 1 374 130 36 TYR HE1 H 6.242 0.020 1 375 130 36 TYR HE2 H 6.242 0.020 1 376 130 36 TYR CA C 56.403 0.400 1 377 130 36 TYR CB C 42.524 0.400 1 378 130 36 TYR CD1 C 132.649 0.400 1 379 130 36 TYR CD2 C 132.649 0.400 1 380 130 36 TYR CE1 C 118.420 0.400 1 381 130 36 TYR CE2 C 118.420 0.400 1 382 130 36 TYR N N 111.363 0.400 1 383 131 37 VAL H H 9.892 0.020 1 384 131 37 VAL HA H 4.081 0.020 1 385 131 37 VAL HB H 2.101 0.020 1 386 131 37 VAL HG1 H 1.200 0.020 2 387 131 37 VAL HG2 H 0.833 0.020 2 388 131 37 VAL CA C 63.799 0.400 1 389 131 37 VAL CB C 33.004 0.400 1 390 131 37 VAL CG1 C 21.645 0.400 1 391 131 37 VAL CG2 C 21.496 0.400 1 392 131 37 VAL N N 124.644 0.400 1 393 132 38 LEU H H 8.213 0.020 1 394 132 38 LEU HA H 4.419 0.020 1 395 132 38 LEU HB2 H 1.119 0.020 2 396 132 38 LEU HB3 H 1.297 0.020 2 397 132 38 LEU HD1 H 0.715 0.020 2 398 132 38 LEU HD2 H 0.450 0.020 2 399 132 38 LEU HG H 1.255 0.020 1 400 132 38 LEU CA C 54.700 0.400 1 401 132 38 LEU CB C 42.167 0.400 1 402 132 38 LEU CD1 C 24.808 0.400 1 403 132 38 LEU CD2 C 25.194 0.400 1 404 132 38 LEU CG C 27.500 0.400 1 405 132 38 LEU N N 128.724 0.400 1 406 133 39 GLY H H 8.125 0.020 1 407 133 39 GLY HA2 H 4.090 0.020 2 408 133 39 GLY HA3 H 4.176 0.020 2 409 133 39 GLY CA C 45.267 0.400 1 410 133 39 GLY N N 107.938 0.400 1 411 134 40 GLN H H 9.023 0.020 1 412 134 40 GLN HA H 4.157 0.020 1 413 134 40 GLN HB2 H 2.152 0.020 2 414 134 40 GLN HB3 H 2.183 0.020 2 415 134 40 GLN HG2 H 2.436 0.020 2 416 134 40 GLN HG3 H 2.452 0.020 2 417 134 40 GLN CA C 58.682 0.400 1 418 134 40 GLN CB C 29.091 0.400 1 419 134 40 GLN CG C 34.096 0.400 1 420 134 40 GLN N N 118.306 0.400 1 421 135 41 SER H H 8.990 0.020 1 422 135 41 SER HA H 4.904 0.020 1 423 135 41 SER HB2 H 4.026 0.020 2 424 135 41 SER HB3 H 4.056 0.020 2 425 135 41 SER CA C 58.206 0.400 1 426 135 41 SER CB C 65.162 0.400 1 427 135 41 SER N N 111.446 0.400 1 428 136 42 THR H H 7.286 0.020 1 429 136 42 THR HA H 5.778 0.020 1 430 136 42 THR HB H 3.830 0.020 1 431 136 42 THR HG2 H 1.078 0.020 1 432 136 42 THR CA C 61.432 0.400 1 433 136 42 THR CB C 70.967 0.400 1 434 136 42 THR CG2 C 21.410 0.400 1 435 136 42 THR N N 116.746 0.400 1 436 137 43 CYS H H 8.971 0.020 1 437 137 43 CYS HA H 5.138 0.020 1 438 137 43 CYS HB2 H 2.565 0.020 2 439 137 43 CYS HB3 H 2.565 0.020 2 440 137 43 CYS CA C 54.405 0.400 1 441 137 43 CYS CB C 32.594 0.400 1 442 137 43 CYS N N 121.405 0.400 1 443 138 44 ALA H H 9.089 0.020 1 444 138 44 ALA HA H 5.916 0.020 1 445 138 44 ALA HB H 1.066 0.020 1 446 138 44 ALA CA C 49.877 0.400 1 447 138 44 ALA CB C 22.389 0.400 1 448 138 44 ALA N N 118.591 0.400 1 449 139 45 LEU H H 8.921 0.020 1 450 139 45 LEU HA H 4.938 0.020 1 451 139 45 LEU HB2 H 1.318 0.020 2 452 139 45 LEU HB3 H 1.618 0.020 2 453 139 45 LEU HD1 H 0.873 0.020 2 454 139 45 LEU HD2 H 0.566 0.020 2 455 139 45 LEU HG H 0.690 0.020 1 456 139 45 LEU CA C 52.723 0.400 1 457 139 45 LEU CB C 44.820 0.400 1 458 139 45 LEU CD1 C 24.211 0.400 1 459 139 45 LEU CD2 C 25.007 0.400 1 460 139 45 LEU CG C 26.252 0.400 1 461 139 45 LEU N N 121.618 0.400 1 462 140 46 PHE H H 9.994 0.020 1 463 140 46 PHE HA H 5.308 0.020 1 464 140 46 PHE HB2 H 2.776 0.020 2 465 140 46 PHE HB3 H 2.969 0.020 2 466 140 46 PHE HD1 H 7.028 0.020 1 467 140 46 PHE HD2 H 7.028 0.020 1 468 140 46 PHE HE1 H 7.091 0.020 1 469 140 46 PHE HE2 H 7.091 0.020 1 470 140 46 PHE HZ H 7.442 0.020 1 471 140 46 PHE CA C 56.717 0.400 1 472 140 46 PHE CB C 43.178 0.400 1 473 140 46 PHE CZ C 130.606 0.400 1 474 140 46 PHE N N 123.431 0.400 1 475 141 47 LEU H H 8.316 0.020 1 476 141 47 LEU HA H 4.584 0.020 1 477 141 47 LEU HB2 H 0.996 0.020 2 478 141 47 LEU HB3 H 1.521 0.020 2 479 141 47 LEU HD1 H 1.371 0.020 2 480 141 47 LEU HD2 H 0.575 0.020 2 481 141 47 LEU HG H 0.667 0.020 1 482 141 47 LEU CA C 53.357 0.400 1 483 141 47 LEU CB C 48.404 0.400 1 484 141 47 LEU CD1 C 23.179 0.400 1 485 141 47 LEU CD2 C 24.991 0.400 1 486 141 47 LEU CG C 26.571 0.400 1 487 141 47 LEU N N 130.507 0.400 1 488 142 48 SER H H 8.377 0.020 1 489 142 48 SER HA H 4.740 0.020 1 490 142 48 SER HB2 H 3.803 0.020 2 491 142 48 SER HB3 H 4.249 0.020 2 492 142 48 SER CA C 56.371 0.400 1 493 142 48 SER CB C 62.940 0.400 1 494 142 48 SER N N 122.915 0.400 1 495 143 49 LEU H H 8.387 0.020 1 496 143 49 LEU HA H 3.832 0.020 1 497 143 49 LEU HB2 H 1.302 0.020 2 498 143 49 LEU HB3 H 1.302 0.020 2 499 143 49 LEU HD1 H 0.694 0.020 2 500 143 49 LEU HD2 H 0.713 0.020 2 501 143 49 LEU HG H 1.478 0.020 1 502 143 49 LEU CA C 58.076 0.400 1 503 143 49 LEU CB C 41.944 0.400 1 504 143 49 LEU CD1 C 25.416 0.400 1 505 143 49 LEU CD2 C 24.028 0.400 1 506 143 49 LEU CG C 27.158 0.400 1 507 143 49 LEU N N 133.061 0.400 1 508 144 50 ARG H H 10.282 0.020 1 509 144 50 ARG HA H 3.719 0.020 1 510 144 50 ARG HB2 H 1.655 0.020 2 511 144 50 ARG HB3 H 1.655 0.020 2 512 144 50 ARG HD2 H 3.191 0.020 2 513 144 50 ARG HD3 H 3.191 0.020 2 514 144 50 ARG HG2 H 1.528 0.020 2 515 144 50 ARG HG3 H 1.631 0.020 2 516 144 50 ARG CA C 59.818 0.400 1 517 144 50 ARG CB C 30.043 0.400 1 518 144 50 ARG CD C 43.568 0.400 1 519 144 50 ARG CG C 27.348 0.400 1 520 144 50 ARG N N 124.639 0.400 1 521 145 51 TYR H H 7.655 0.020 1 522 145 51 TYR HA H 3.971 0.020 1 523 145 51 TYR HB2 H 3.026 0.020 2 524 145 51 TYR HB3 H 3.355 0.020 2 525 145 51 TYR HD1 H 6.928 0.020 1 526 145 51 TYR HD2 H 6.928 0.020 1 527 145 51 TYR HE1 H 6.068 0.020 1 528 145 51 TYR HE2 H 6.068 0.020 1 529 145 51 TYR CA C 62.644 0.400 1 530 145 51 TYR CB C 39.346 0.400 1 531 145 51 TYR CD1 C 133.043 0.400 1 532 145 51 TYR CD2 C 133.043 0.400 1 533 145 51 TYR CE1 C 117.890 0.400 1 534 145 51 TYR CE2 C 117.890 0.400 1 535 145 51 TYR N N 120.743 0.400 1 536 146 52 HIS H H 8.828 0.020 1 537 146 52 HIS HA H 4.353 0.020 1 538 146 52 HIS HB2 H 3.070 0.020 2 539 146 52 HIS HB3 H 3.413 0.020 2 540 146 52 HIS CA C 59.518 0.400 1 541 146 52 HIS CB C 31.771 0.400 1 542 146 52 HIS N N 120.320 0.400 1 543 147 53 ASN H H 8.218 0.020 1 544 147 53 ASN HA H 4.138 0.020 1 545 147 53 ASN HB2 H 2.652 0.020 2 546 147 53 ASN HB3 H 2.810 0.020 2 547 147 53 ASN HD21 H 7.473 0.020 2 548 147 53 ASN HD22 H 6.623 0.020 2 549 147 53 ASN CA C 55.315 0.400 1 550 147 53 ASN CB C 38.298 0.400 1 551 147 53 ASN N N 113.908 0.400 1 552 147 53 ASN ND2 N 109.168 0.400 1 553 148 54 LEU H H 7.059 0.020 1 554 148 54 LEU HA H 3.971 0.020 1 555 148 54 LEU HB2 H 0.766 0.020 2 556 148 54 LEU HB3 H 1.362 0.020 2 557 148 54 LEU HD1 H 0.792 0.020 2 558 148 54 LEU HD2 H 0.727 0.020 2 559 148 54 LEU HG H 1.460 0.020 1 560 148 54 LEU CA C 55.666 0.400 1 561 148 54 LEU CB C 43.531 0.400 1 562 148 54 LEU CD1 C 24.994 0.400 1 563 148 54 LEU CD2 C 22.821 0.400 1 564 148 54 LEU CG C 26.650 0.400 1 565 148 54 LEU N N 117.362 0.400 1 566 149 55 HIS H H 7.698 0.020 1 567 149 55 HIS HA H 4.947 0.020 1 568 149 55 HIS HB2 H 2.725 0.020 2 569 149 55 HIS HB3 H 2.963 0.020 2 570 149 55 HIS CA C 52.179 0.400 1 571 149 55 HIS CB C 28.246 0.400 1 572 149 55 HIS N N 115.741 0.400 1 573 150 56 PRO HA H 4.149 0.020 1 574 150 56 PRO HB2 H 1.862 0.020 2 575 150 56 PRO HB3 H 2.053 0.020 2 576 150 56 PRO HD2 H 3.181 0.020 2 577 150 56 PRO HD3 H 3.506 0.020 2 578 150 56 PRO HG2 H 1.848 0.020 2 579 150 56 PRO HG3 H 1.878 0.020 2 580 150 56 PRO CA C 65.177 0.400 1 581 150 56 PRO CB C 31.650 0.400 1 582 150 56 PRO CD C 50.032 0.400 1 583 150 56 PRO CG C 27.152 0.400 1 584 151 57 ASP H H 8.670 0.020 1 585 151 57 ASP HA H 4.801 0.020 1 586 151 57 ASP HB2 H 2.687 0.020 2 587 151 57 ASP HB3 H 2.755 0.020 2 588 151 57 ASP CA C 54.513 0.400 1 589 151 57 ASP CB C 40.989 0.400 1 590 151 57 ASP N N 114.719 0.400 1 591 152 58 TYR H H 8.026 0.020 1 592 152 58 TYR HA H 4.311 0.020 1 593 152 58 TYR HB2 H 3.490 0.020 2 594 152 58 TYR HB3 H 3.525 0.020 2 595 152 58 TYR HD1 H 7.318 0.020 1 596 152 58 TYR HD2 H 7.318 0.020 1 597 152 58 TYR HE1 H 6.809 0.020 1 598 152 58 TYR HE2 H 6.809 0.020 1 599 152 58 TYR CA C 61.053 0.400 1 600 152 58 TYR CB C 37.255 0.400 1 601 152 58 TYR CD1 C 133.710 0.400 1 602 152 58 TYR CD2 C 133.710 0.400 1 603 152 58 TYR CE1 C 117.743 0.400 1 604 152 58 TYR CE2 C 117.743 0.400 1 605 152 58 TYR N N 123.421 0.400 1 606 153 59 ILE H H 10.296 0.020 1 607 153 59 ILE HA H 3.737 0.020 1 608 153 59 ILE HB H 2.051 0.020 1 609 153 59 ILE HD1 H 0.837 0.020 1 610 153 59 ILE HG12 H 1.178 0.020 2 611 153 59 ILE HG13 H 1.178 0.020 2 612 153 59 ILE HG2 H 0.942 0.020 1 613 153 59 ILE CA C 60.374 0.400 1 614 153 59 ILE CB C 37.892 0.400 1 615 153 59 ILE CD1 C 14.654 0.400 1 616 153 59 ILE CG1 C 28.433 0.400 1 617 153 59 ILE CG2 C 19.921 0.400 1 618 153 59 ILE N N 122.047 0.400 1 619 154 60 HIS H H 7.984 0.020 1 620 154 60 HIS HA H 4.190 0.020 1 621 154 60 HIS HB2 H 3.206 0.020 2 622 154 60 HIS HB3 H 3.360 0.020 2 623 154 60 HIS HE1 H 7.638 0.020 1 624 154 60 HIS CA C 59.509 0.400 1 625 154 60 HIS CB C 28.285 0.400 1 626 154 60 HIS CE1 C 138.974 0.400 1 627 154 60 HIS N N 121.564 0.400 1 628 155 61 GLY H H 7.573 0.020 1 629 155 61 GLY HA2 H 3.806 0.020 2 630 155 61 GLY HA3 H 3.981 0.020 2 631 155 61 GLY CA C 47.076 0.400 1 632 155 61 GLY N N 105.695 0.400 1 633 156 62 ARG H H 7.433 0.020 1 634 156 62 ARG HA H 3.997 0.020 1 635 156 62 ARG HB2 H 1.662 0.020 2 636 156 62 ARG HB3 H 1.662 0.020 2 637 156 62 ARG HD2 H 3.064 0.020 2 638 156 62 ARG HD3 H 3.064 0.020 2 639 156 62 ARG HG2 H 1.342 0.020 2 640 156 62 ARG HG3 H 1.342 0.020 2 641 156 62 ARG CA C 56.426 0.400 1 642 156 62 ARG CB C 28.687 0.400 1 643 156 62 ARG CD C 40.112 0.400 1 644 156 62 ARG CG C 24.409 0.400 1 645 156 62 ARG N N 119.583 0.400 1 646 157 63 LEU H H 8.301 0.020 1 647 157 63 LEU HA H 3.815 0.020 1 648 157 63 LEU HB2 H 1.285 0.020 2 649 157 63 LEU HB3 H 1.793 0.020 2 650 157 63 LEU HD1 H 0.677 0.020 2 651 157 63 LEU HD2 H 0.718 0.020 2 652 157 63 LEU HG H 1.478 0.020 1 653 157 63 LEU CA C 58.084 0.400 1 654 157 63 LEU CB C 41.891 0.400 1 655 157 63 LEU CD1 C 24.700 0.400 1 656 157 63 LEU CD2 C 23.872 0.400 1 657 157 63 LEU CG C 27.284 0.400 1 658 157 63 LEU N N 119.891 0.400 1 659 158 64 GLN H H 7.862 0.020 1 660 158 64 GLN HA H 4.018 0.020 1 661 158 64 GLN HB2 H 2.057 0.020 2 662 158 64 GLN HB3 H 2.057 0.020 2 663 158 64 GLN HE21 H 7.404 0.020 2 664 158 64 GLN HE22 H 6.860 0.020 2 665 158 64 GLN HG2 H 2.295 0.020 2 666 158 64 GLN HG3 H 2.328 0.020 2 667 158 64 GLN CA C 58.342 0.400 1 668 158 64 GLN CB C 28.601 0.400 1 669 158 64 GLN CG C 33.745 0.400 1 670 158 64 GLN N N 118.121 0.400 1 671 158 64 GLN NE2 N 111.722 0.400 1 672 159 65 SER H H 7.619 0.020 1 673 159 65 SER HA H 4.304 0.020 1 674 159 65 SER HB2 H 3.921 0.020 2 675 159 65 SER HB3 H 3.921 0.020 2 676 159 65 SER CA C 59.856 0.400 1 677 159 65 SER CB C 63.516 0.400 1 678 159 65 SER N N 113.233 0.400 1 679 160 66 LEU H H 7.309 0.020 1 680 160 66 LEU HA H 4.104 0.020 1 681 160 66 LEU HB2 H 1.673 0.020 2 682 160 66 LEU HB3 H 1.835 0.020 2 683 160 66 LEU HD1 H 0.871 0.020 2 684 160 66 LEU HD2 H 0.764 0.020 2 685 160 66 LEU HG H 1.953 0.020 1 686 160 66 LEU CA C 56.455 0.400 1 687 160 66 LEU CB C 42.602 0.400 1 688 160 66 LEU CD1 C 25.203 0.400 1 689 160 66 LEU CD2 C 23.901 0.400 1 690 160 66 LEU CG C 26.164 0.400 1 691 160 66 LEU N N 120.833 0.400 1 692 161 67 GLY H H 7.830 0.020 1 693 161 67 GLY HA2 H 3.976 0.020 2 694 161 67 GLY HA3 H 3.976 0.020 2 695 161 67 GLY CA C 45.902 0.400 1 696 161 67 GLY N N 105.418 0.400 1 697 162 68 LYS H H 8.787 0.020 1 698 162 68 LYS HA H 4.492 0.020 1 699 162 68 LYS HB2 H 1.629 0.020 2 700 162 68 LYS HB3 H 2.006 0.020 2 701 162 68 LYS HD2 H 1.657 0.020 2 702 162 68 LYS HD3 H 1.657 0.020 2 703 162 68 LYS HE2 H 2.985 0.020 2 704 162 68 LYS HE3 H 2.985 0.020 2 705 162 68 LYS HG2 H 1.335 0.020 2 706 162 68 LYS HG3 H 1.422 0.020 2 707 162 68 LYS CA C 55.651 0.400 1 708 162 68 LYS CB C 32.113 0.400 1 709 162 68 LYS CD C 29.077 0.400 1 710 162 68 LYS CG C 24.812 0.400 1 711 162 68 LYS N N 122.191 0.400 1 712 163 69 ASN H H 8.220 0.020 1 713 163 69 ASN HA H 4.338 0.020 1 714 163 69 ASN HB2 H 2.460 0.020 2 715 163 69 ASN HB3 H 2.645 0.020 2 716 163 69 ASN HD21 H 7.405 0.020 2 717 163 69 ASN HD22 H 6.720 0.020 2 718 163 69 ASN CA C 55.220 0.400 1 719 163 69 ASN CB C 38.500 0.400 1 720 163 69 ASN N N 117.004 0.400 1 721 163 69 ASN ND2 N 114.208 0.400 1 722 164 70 PHE H H 7.745 0.020 1 723 164 70 PHE HA H 4.301 0.020 1 724 164 70 PHE HB2 H 2.885 0.020 2 725 164 70 PHE HB3 H 3.084 0.020 2 726 164 70 PHE HD1 H 7.070 0.020 1 727 164 70 PHE HD2 H 7.070 0.020 1 728 164 70 PHE HE1 H 7.356 0.020 1 729 164 70 PHE HE2 H 7.356 0.020 1 730 164 70 PHE HZ H 7.341 0.020 1 731 164 70 PHE CA C 58.939 0.400 1 732 164 70 PHE CB C 39.823 0.400 1 733 164 70 PHE CD1 C 132.282 0.400 1 734 164 70 PHE CD2 C 132.282 0.400 1 735 164 70 PHE CE1 C 131.624 0.400 1 736 164 70 PHE CE2 C 131.624 0.400 1 737 164 70 PHE N N 115.206 0.400 1 738 165 71 ALA H H 8.524 0.020 1 739 165 71 ALA HA H 4.248 0.020 1 740 165 71 ALA HB H 1.532 0.020 1 741 165 71 ALA CA C 54.237 0.400 1 742 165 71 ALA CB C 19.429 0.400 1 743 165 71 ALA N N 126.951 0.400 1 744 166 72 LEU H H 8.328 0.020 1 745 166 72 LEU HA H 4.704 0.020 1 746 166 72 LEU HB2 H 1.626 0.020 2 747 166 72 LEU HB3 H 1.886 0.020 2 748 166 72 LEU HD1 H 0.917 0.020 2 749 166 72 LEU HD2 H 0.940 0.020 2 750 166 72 LEU HG H 1.489 0.020 1 751 166 72 LEU CA C 54.488 0.400 1 752 166 72 LEU CB C 43.088 0.400 1 753 166 72 LEU CD1 C 25.157 0.400 1 754 166 72 LEU CD2 C 24.156 0.400 1 755 166 72 LEU CG C 27.549 0.400 1 756 166 72 LEU N N 119.774 0.400 1 757 167 73 ARG H H 8.674 0.020 1 758 167 73 ARG HA H 4.957 0.020 1 759 167 73 ARG HB2 H 1.458 0.020 2 760 167 73 ARG HB3 H 1.874 0.020 2 761 167 73 ARG HD2 H 3.249 0.020 2 762 167 73 ARG HD3 H 3.249 0.020 2 763 167 73 ARG HG2 H 1.501 0.020 2 764 167 73 ARG HG3 H 1.501 0.020 2 765 167 73 ARG CA C 54.631 0.400 1 766 167 73 ARG CB C 32.133 0.400 1 767 167 73 ARG CD C 43.430 0.400 1 768 167 73 ARG CG C 27.154 0.400 1 769 167 73 ARG N N 124.530 0.400 1 770 168 74 VAL H H 8.447 0.020 1 771 168 74 VAL HA H 4.581 0.020 1 772 168 74 VAL HB H 1.778 0.020 1 773 168 74 VAL HG1 H 0.590 0.020 2 774 168 74 VAL HG2 H 0.590 0.020 2 775 168 74 VAL CA C 60.757 0.400 1 776 168 74 VAL CB C 35.287 0.400 1 777 168 74 VAL CG1 C 20.402 0.400 1 778 168 74 VAL CG2 C 20.402 0.400 1 779 168 74 VAL N N 123.385 0.400 1 780 169 75 LEU H H 9.025 0.020 1 781 169 75 LEU HA H 4.643 0.020 1 782 169 75 LEU HB2 H 0.879 0.020 2 783 169 75 LEU HB3 H 1.806 0.020 2 784 169 75 LEU HD1 H 0.432 0.020 2 785 169 75 LEU HD2 H 0.575 0.020 2 786 169 75 LEU HG H 1.171 0.020 1 787 169 75 LEU CA C 53.430 0.400 1 788 169 75 LEU CB C 42.994 0.400 1 789 169 75 LEU CD1 C 26.508 0.400 1 790 169 75 LEU CD2 C 25.047 0.400 1 791 169 75 LEU CG C 27.396 0.400 1 792 169 75 LEU N N 129.091 0.400 1 793 170 76 LEU H H 8.942 0.020 1 794 170 76 LEU HA H 4.623 0.020 1 795 170 76 LEU HB2 H 0.887 0.020 2 796 170 76 LEU HB3 H 1.798 0.020 2 797 170 76 LEU HD1 H 0.662 0.020 2 798 170 76 LEU HD2 H 0.531 0.020 2 799 170 76 LEU HG H 1.278 0.020 1 800 170 76 LEU CA C 53.202 0.400 1 801 170 76 LEU CB C 43.481 0.400 1 802 170 76 LEU CD1 C 25.717 0.400 1 803 170 76 LEU CD2 C 24.159 0.400 1 804 170 76 LEU CG C 27.357 0.400 1 805 170 76 LEU N N 130.683 0.400 1 806 171 77 VAL H H 8.680 0.020 1 807 171 77 VAL HA H 4.554 0.020 1 808 171 77 VAL HB H 1.660 0.020 1 809 171 77 VAL HG1 H 0.536 0.020 2 810 171 77 VAL HG2 H 0.392 0.020 2 811 171 77 VAL CA C 59.500 0.400 1 812 171 77 VAL CB C 33.475 0.400 1 813 171 77 VAL CG1 C 23.326 0.400 1 814 171 77 VAL CG2 C 21.168 0.400 1 815 171 77 VAL N N 125.900 0.400 1 816 172 78 GLN H H 8.284 0.020 1 817 172 78 GLN HA H 4.726 0.020 1 818 172 78 GLN HB2 H 1.756 0.020 2 819 172 78 GLN HB3 H 1.756 0.020 2 820 172 78 GLN HE21 H 7.625 0.020 2 821 172 78 GLN HE22 H 6.465 0.020 2 822 172 78 GLN HG2 H 1.696 0.020 2 823 172 78 GLN HG3 H 1.884 0.020 2 824 172 78 GLN CA C 53.347 0.400 1 825 172 78 GLN CB C 31.228 0.400 1 826 172 78 GLN CG C 34.383 0.400 1 827 172 78 GLN N N 126.544 0.400 1 828 172 78 GLN NE2 N 107.987 0.400 1 829 173 79 VAL H H 8.757 0.020 1 830 173 79 VAL HA H 3.373 0.020 1 831 173 79 VAL HB H 1.183 0.020 1 832 173 79 VAL HG1 H 0.655 0.020 2 833 173 79 VAL HG2 H -0.017 0.020 2 834 173 79 VAL CA C 63.559 0.400 1 835 173 79 VAL CB C 29.026 0.400 1 836 173 79 VAL CG1 C 22.421 0.400 1 837 173 79 VAL CG2 C 20.421 0.400 1 838 173 79 VAL N N 128.423 0.400 1 839 174 80 ASP H H 8.250 0.020 1 840 174 80 ASP HA H 4.723 0.020 1 841 174 80 ASP HB2 H 2.342 0.020 2 842 174 80 ASP HB3 H 3.149 0.020 2 843 174 80 ASP CA C 52.487 0.400 1 844 174 80 ASP CB C 39.515 0.400 1 845 174 80 ASP N N 128.831 0.400 1 846 175 81 VAL H H 6.829 0.020 1 847 175 81 VAL HA H 4.686 0.020 1 848 175 81 VAL HB H 2.200 0.020 1 849 175 81 VAL HG1 H 0.842 0.020 2 850 175 81 VAL HG2 H 0.681 0.020 2 851 175 81 VAL CA C 58.440 0.400 1 852 175 81 VAL CB C 35.423 0.400 1 853 175 81 VAL CG1 C 21.109 0.400 1 854 175 81 VAL CG2 C 18.633 0.400 1 855 175 81 VAL N N 107.996 0.400 1 856 176 82 LYS H H 8.465 0.020 1 857 176 82 LYS HA H 4.188 0.020 1 858 176 82 LYS HB2 H 1.805 0.020 2 859 176 82 LYS HB3 H 1.805 0.020 2 860 176 82 LYS HD2 H 1.708 0.020 2 861 176 82 LYS HD3 H 1.708 0.020 2 862 176 82 LYS HE2 H 3.023 0.020 2 863 176 82 LYS HE3 H 3.023 0.020 2 864 176 82 LYS HG2 H 1.475 0.020 2 865 176 82 LYS HG3 H 1.475 0.020 2 866 176 82 LYS CA C 57.314 0.400 1 867 176 82 LYS CB C 32.986 0.400 1 868 176 82 LYS CD C 29.253 0.400 1 869 176 82 LYS CE C 42.113 0.400 1 870 176 82 LYS CG C 24.825 0.400 1 871 176 82 LYS N N 121.638 0.400 1 872 177 83 ASP H H 8.649 0.020 1 873 177 83 ASP HA H 5.077 0.020 1 874 177 83 ASP HB2 H 2.610 0.020 2 875 177 83 ASP HB3 H 2.814 0.020 2 876 177 83 ASP CA C 52.470 0.400 1 877 177 83 ASP CB C 40.529 0.400 1 878 177 83 ASP N N 115.929 0.400 1 879 178 84 PRO HA H 4.410 0.020 1 880 178 84 PRO HB2 H 1.732 0.020 2 881 178 84 PRO HB3 H 1.901 0.020 2 882 178 84 PRO HD2 H 3.668 0.020 2 883 178 84 PRO HD3 H 3.893 0.020 2 884 178 84 PRO HG2 H 1.836 0.020 2 885 178 84 PRO HG3 H 2.016 0.020 2 886 178 84 PRO CA C 63.944 0.400 1 887 178 84 PRO CB C 33.823 0.400 1 888 178 84 PRO CD C 50.456 0.400 1 889 178 84 PRO CG C 26.246 0.400 1 890 179 85 GLN H H 8.563 0.020 1 891 179 85 GLN HA H 3.821 0.020 1 892 179 85 GLN HB2 H 2.065 0.020 2 893 179 85 GLN HB3 H 2.180 0.020 2 894 179 85 GLN HE21 H 7.720 0.020 2 895 179 85 GLN HE22 H 7.135 0.020 2 896 179 85 GLN HG2 H 2.498 0.020 2 897 179 85 GLN HG3 H 2.547 0.020 2 898 179 85 GLN CA C 61.365 0.400 1 899 179 85 GLN CB C 28.097 0.400 1 900 179 85 GLN CG C 34.314 0.400 1 901 179 85 GLN N N 119.912 0.400 1 902 179 85 GLN NE2 N 112.129 0.400 1 903 180 86 GLN H H 8.838 0.020 1 904 180 86 GLN HA H 4.029 0.020 1 905 180 86 GLN HB2 H 2.112 0.020 2 906 180 86 GLN HB3 H 2.112 0.020 2 907 180 86 GLN HE21 H 7.720 0.020 2 908 180 86 GLN HE22 H 6.905 0.020 2 909 180 86 GLN HG2 H 2.403 0.020 2 910 180 86 GLN HG3 H 2.403 0.020 2 911 180 86 GLN CA C 59.392 0.400 1 912 180 86 GLN CB C 27.669 0.400 1 913 180 86 GLN CG C 33.640 0.400 1 914 180 86 GLN N N 119.657 0.400 1 915 180 86 GLN NE2 N 112.665 0.400 1 916 181 87 ALA H H 8.499 0.020 1 917 181 87 ALA HA H 4.276 0.020 1 918 181 87 ALA HB H 1.509 0.020 1 919 181 87 ALA CA C 54.832 0.400 1 920 181 87 ALA CB C 19.058 0.400 1 921 181 87 ALA N N 122.965 0.400 1 922 182 88 LEU H H 8.437 0.020 1 923 182 88 LEU HA H 3.900 0.020 1 924 182 88 LEU HB2 H 1.383 0.020 2 925 182 88 LEU HB3 H 1.917 0.020 2 926 182 88 LEU HD1 H 0.789 0.020 2 927 182 88 LEU HD2 H 0.704 0.020 2 928 182 88 LEU HG H 1.858 0.020 1 929 182 88 LEU CA C 58.001 0.400 1 930 182 88 LEU CB C 41.052 0.400 1 931 182 88 LEU CD1 C 25.498 0.400 1 932 182 88 LEU CD2 C 23.494 0.400 1 933 182 88 LEU CG C 26.410 0.400 1 934 182 88 LEU N N 116.049 0.400 1 935 183 89 LYS H H 7.917 0.020 1 936 183 89 LYS HA H 4.174 0.020 1 937 183 89 LYS HB2 H 1.957 0.020 2 938 183 89 LYS HB3 H 2.071 0.020 2 939 183 89 LYS CA C 56.801 0.400 1 940 183 89 LYS CB C 30.280 0.400 1 941 183 89 LYS N N 121.270 0.400 1 942 184 90 GLU H H 7.684 0.020 1 943 184 90 GLU HA H 4.079 0.020 1 944 184 90 GLU HB2 H 2.207 0.020 2 945 184 90 GLU HB3 H 2.207 0.020 2 946 184 90 GLU HG2 H 2.331 0.020 2 947 184 90 GLU HG3 H 2.476 0.020 2 948 184 90 GLU CA C 58.919 0.400 1 949 184 90 GLU CB C 29.229 0.400 1 950 184 90 GLU CG C 35.844 0.400 1 951 184 90 GLU N N 119.648 0.400 1 952 185 91 LEU H H 8.648 0.020 1 953 185 91 LEU HA H 3.961 0.020 1 954 185 91 LEU HB2 H 0.988 0.020 2 955 185 91 LEU HB3 H 1.740 0.020 2 956 185 91 LEU HD1 H 0.319 0.020 2 957 185 91 LEU HD2 H 0.279 0.020 2 958 185 91 LEU HG H 1.499 0.020 1 959 185 91 LEU CA C 57.790 0.400 1 960 185 91 LEU CB C 42.015 0.400 1 961 185 91 LEU CD1 C 26.622 0.400 1 962 185 91 LEU CD2 C 23.057 0.400 1 963 185 91 LEU CG C 26.611 0.400 1 964 185 91 LEU N N 121.295 0.400 1 965 186 92 ALA H H 8.346 0.020 1 966 186 92 ALA HA H 4.029 0.020 1 967 186 92 ALA HB H 1.461 0.020 1 968 186 92 ALA CA C 55.689 0.400 1 969 186 92 ALA CB C 17.751 0.400 1 970 186 92 ALA N N 122.365 0.400 1 971 187 93 LYS H H 7.284 0.020 1 972 187 93 LYS HA H 4.014 0.020 1 973 187 93 LYS HB2 H 1.942 0.020 2 974 187 93 LYS HB3 H 1.942 0.020 2 975 187 93 LYS HD2 H 1.702 0.020 2 976 187 93 LYS HD3 H 1.702 0.020 2 977 187 93 LYS HE2 H 2.949 0.020 2 978 187 93 LYS HE3 H 2.949 0.020 2 979 187 93 LYS HG2 H 1.460 0.020 2 980 187 93 LYS HG3 H 1.607 0.020 2 981 187 93 LYS CA C 59.543 0.400 1 982 187 93 LYS CB C 32.330 0.400 1 983 187 93 LYS CD C 29.425 0.400 1 984 187 93 LYS CE C 42.115 0.400 1 985 187 93 LYS CG C 24.906 0.400 1 986 187 93 LYS N N 117.860 0.400 1 987 188 94 MET H H 7.860 0.020 1 988 188 94 MET HA H 3.978 0.020 1 989 188 94 MET HB2 H 2.133 0.020 2 990 188 94 MET HB3 H 2.203 0.020 2 991 188 94 MET HE H 1.904 0.020 1 992 188 94 MET HG2 H 2.327 0.020 2 993 188 94 MET HG3 H 2.646 0.020 2 994 188 94 MET CA C 59.179 0.400 1 995 188 94 MET CB C 33.343 0.400 1 996 188 94 MET CE C 17.595 0.400 1 997 188 94 MET CG C 31.375 0.400 1 998 188 94 MET N N 118.913 0.400 1 999 189 95 CYS H H 8.367 0.020 1 1000 189 95 CYS HA H 3.974 0.020 1 1001 189 95 CYS HB2 H 3.005 0.020 2 1002 189 95 CYS HB3 H 3.178 0.020 2 1003 189 95 CYS CA C 65.834 0.400 1 1004 189 95 CYS CB C 25.901 0.400 1 1005 189 95 CYS N N 116.977 0.400 1 1006 190 96 ILE H H 7.713 0.020 1 1007 190 96 ILE HA H 3.962 0.020 1 1008 190 96 ILE HB H 1.965 0.020 1 1009 190 96 ILE HD1 H 0.881 0.020 1 1010 190 96 ILE HG12 H 1.748 0.020 2 1011 190 96 ILE HG13 H 1.265 0.020 2 1012 190 96 ILE HG2 H 0.940 0.020 1 1013 190 96 ILE CA C 64.682 0.400 1 1014 190 96 ILE CB C 37.852 0.400 1 1015 190 96 ILE CD1 C 12.757 0.400 1 1016 190 96 ILE CG1 C 28.990 0.400 1 1017 190 96 ILE CG2 C 17.253 0.400 1 1018 190 96 ILE N N 120.810 0.400 1 1019 191 97 LEU H H 7.457 0.020 1 1020 191 97 LEU HA H 4.107 0.020 1 1021 191 97 LEU HB2 H 1.601 0.020 2 1022 191 97 LEU HB3 H 1.837 0.020 2 1023 191 97 LEU HD1 H 0.909 0.020 2 1024 191 97 LEU HD2 H 0.900 0.020 2 1025 191 97 LEU HG H 1.776 0.020 1 1026 191 97 LEU CA C 57.525 0.400 1 1027 191 97 LEU CB C 41.827 0.400 1 1028 191 97 LEU CD1 C 25.178 0.400 1 1029 191 97 LEU CD2 C 22.997 0.400 1 1030 191 97 LEU CG C 27.148 0.400 1 1031 191 97 LEU N N 120.057 0.400 1 1032 192 98 ALA H H 7.751 0.020 1 1033 192 98 ALA HA H 4.456 0.020 1 1034 192 98 ALA HB H 1.356 0.020 1 1035 192 98 ALA CA C 51.436 0.400 1 1036 192 98 ALA CB C 19.773 0.400 1 1037 192 98 ALA N N 118.679 0.400 1 1038 193 99 ASP H H 7.832 0.020 1 1039 193 99 ASP HA H 4.366 0.020 1 1040 193 99 ASP HB2 H 2.488 0.020 2 1041 193 99 ASP HB3 H 3.095 0.020 2 1042 193 99 ASP CA C 55.191 0.400 1 1043 193 99 ASP CB C 39.049 0.400 1 1044 193 99 ASP N N 119.070 0.400 1 1045 194 100 CYS H H 8.415 0.020 1 1046 194 100 CYS HA H 4.987 0.020 1 1047 194 100 CYS HB2 H 2.505 0.020 2 1048 194 100 CYS HB3 H 2.536 0.020 2 1049 194 100 CYS CA C 56.508 0.400 1 1050 194 100 CYS CB C 30.172 0.400 1 1051 194 100 CYS N N 117.249 0.400 1 1052 195 101 THR H H 8.906 0.020 1 1053 195 101 THR HA H 4.234 0.020 1 1054 195 101 THR HB H 3.970 0.020 1 1055 195 101 THR HG2 H 1.132 0.020 1 1056 195 101 THR CA C 63.398 0.400 1 1057 195 101 THR CB C 70.682 0.400 1 1058 195 101 THR CG2 C 21.251 0.400 1 1059 195 101 THR N N 123.589 0.400 1 1060 196 102 LEU H H 8.631 0.020 1 1061 196 102 LEU HA H 4.772 0.020 1 1062 196 102 LEU HB2 H 1.642 0.020 2 1063 196 102 LEU HB3 H 1.802 0.020 2 1064 196 102 LEU HD1 H 0.720 0.020 2 1065 196 102 LEU HD2 H 0.701 0.020 2 1066 196 102 LEU HG H 1.227 0.020 1 1067 196 102 LEU CB C 42.505 0.400 1 1068 196 102 LEU CD1 C 25.836 0.400 1 1069 196 102 LEU CD2 C 24.539 0.400 1 1070 196 102 LEU CG C 27.312 0.400 1 1071 196 102 LEU N N 131.073 0.400 1 1072 197 103 ILE H H 8.979 0.020 1 1073 197 103 ILE HA H 4.250 0.020 1 1074 197 103 ILE HB H 1.264 0.020 1 1075 197 103 ILE HD1 H 0.492 0.020 1 1076 197 103 ILE HG12 H 0.913 0.020 2 1077 197 103 ILE HG13 H 0.913 0.020 2 1078 197 103 ILE HG2 H -0.040 0.020 1 1079 197 103 ILE CA C 58.424 0.400 1 1080 197 103 ILE CB C 38.608 0.400 1 1081 197 103 ILE CD1 C 10.693 0.400 1 1082 197 103 ILE CG1 C 26.038 0.400 1 1083 197 103 ILE CG2 C 16.067 0.400 1 1084 197 103 ILE N N 130.279 0.400 1 1085 198 104 LEU H H 8.149 0.020 1 1086 198 104 LEU HA H 4.184 0.020 1 1087 198 104 LEU HB2 H 1.745 0.020 2 1088 198 104 LEU HB3 H 1.745 0.020 2 1089 198 104 LEU HD1 H 0.884 0.020 2 1090 198 104 LEU HD2 H 0.516 0.020 2 1091 198 104 LEU HG H 1.493 0.020 1 1092 198 104 LEU CB C 43.130 0.400 1 1093 198 104 LEU CD1 C 25.479 0.400 1 1094 198 104 LEU CD2 C 24.142 0.400 1 1095 198 104 LEU CG C 27.251 0.400 1 1096 198 104 LEU N N 124.510 0.400 1 1097 199 105 ALA H H 8.812 0.020 1 1098 199 105 ALA HA H 4.574 0.020 1 1099 199 105 ALA HB H 1.242 0.020 1 1100 199 105 ALA CA C 53.353 0.400 1 1101 199 105 ALA CB C 21.858 0.400 1 1102 199 105 ALA N N 123.126 0.400 1 1103 200 106 TRP H H 9.448 0.020 1 1104 200 106 TRP HA H 4.811 0.020 1 1105 200 106 TRP HB2 H 3.111 0.020 2 1106 200 106 TRP HB3 H 3.681 0.020 2 1107 200 106 TRP HD1 H 7.475 0.020 1 1108 200 106 TRP HE1 H 10.116 0.020 1 1109 200 106 TRP HE3 H 7.430 0.020 1 1110 200 106 TRP HH2 H 7.086 0.020 1 1111 200 106 TRP HZ2 H 7.370 0.020 1 1112 200 106 TRP HZ3 H 7.030 0.020 1 1113 200 106 TRP CA C 59.090 0.400 1 1114 200 106 TRP CB C 28.756 0.400 1 1115 200 106 TRP CD1 C 127.365 0.400 1 1116 200 106 TRP CH2 C 124.002 0.400 1 1117 200 106 TRP CZ2 C 113.850 0.400 1 1118 200 106 TRP N N 123.106 0.400 1 1119 200 106 TRP NE1 N 129.124 0.400 1 1120 201 107 SER H H 7.665 0.020 1 1121 201 107 SER HA H 4.927 0.020 1 1122 201 107 SER HB2 H 4.082 0.020 2 1123 201 107 SER HB3 H 4.294 0.020 2 1124 201 107 SER CA C 56.250 0.400 1 1125 201 107 SER CB C 63.785 0.400 1 1126 201 107 SER N N 111.125 0.400 1 1127 202 108 PRO HA H 4.276 0.020 1 1128 202 108 PRO HB2 H 1.879 0.020 2 1129 202 108 PRO HB3 H 2.185 0.020 2 1130 202 108 PRO HD2 H 3.726 0.020 2 1131 202 108 PRO HD3 H 3.998 0.020 2 1132 202 108 PRO HG2 H 2.125 0.020 2 1133 202 108 PRO HG3 H 2.221 0.020 2 1134 202 108 PRO CA C 65.120 0.400 1 1135 202 108 PRO CB C 31.173 0.400 1 1136 202 108 PRO CD C 50.554 0.400 1 1137 202 108 PRO CG C 27.532 0.400 1 1138 203 109 GLU H H 8.575 0.020 1 1139 203 109 GLU HA H 3.061 0.020 1 1140 203 109 GLU HB2 H 1.196 0.020 2 1141 203 109 GLU HB3 H 1.267 0.020 2 1142 203 109 GLU HG2 H 1.289 0.020 2 1143 203 109 GLU HG3 H 1.910 0.020 2 1144 203 109 GLU CA C 59.926 0.400 1 1145 203 109 GLU CB C 28.029 0.400 1 1146 203 109 GLU CG C 35.718 0.400 1 1147 203 109 GLU N N 118.993 0.400 1 1148 204 110 GLU H H 7.771 0.020 1 1149 204 110 GLU HA H 3.846 0.020 1 1150 204 110 GLU HB2 H 2.073 0.020 2 1151 204 110 GLU HB3 H 2.191 0.020 2 1152 204 110 GLU HG2 H 2.094 0.020 2 1153 204 110 GLU HG3 H 2.381 0.020 2 1154 204 110 GLU CA C 59.183 0.400 1 1155 204 110 GLU CB C 30.569 0.400 1 1156 204 110 GLU CG C 36.537 0.400 1 1157 204 110 GLU N N 120.223 0.400 1 1158 205 111 ALA H H 7.635 0.020 1 1159 205 111 ALA HA H 3.973 0.020 1 1160 205 111 ALA HB H 1.407 0.020 1 1161 205 111 ALA CA C 55.314 0.400 1 1162 205 111 ALA CB C 18.357 0.400 1 1163 205 111 ALA N N 121.048 0.400 1 1164 206 112 GLY H H 8.538 0.020 1 1165 206 112 GLY HA2 H 3.371 0.020 2 1166 206 112 GLY HA3 H 3.500 0.020 2 1167 206 112 GLY CA C 47.459 0.400 1 1168 206 112 GLY N N 105.223 0.400 1 1169 207 113 ARG H H 8.019 0.020 1 1170 207 113 ARG HA H 4.225 0.020 1 1171 207 113 ARG HB2 H 1.881 0.020 2 1172 207 113 ARG HB3 H 1.881 0.020 2 1173 207 113 ARG HD2 H 3.211 0.020 2 1174 207 113 ARG HD3 H 3.211 0.020 2 1175 207 113 ARG HG2 H 1.608 0.020 2 1176 207 113 ARG HG3 H 1.743 0.020 2 1177 207 113 ARG CA C 58.800 0.400 1 1178 207 113 ARG CB C 29.711 0.400 1 1179 207 113 ARG CD C 43.517 0.400 1 1180 207 113 ARG CG C 27.375 0.400 1 1181 207 113 ARG N N 120.377 0.400 1 1182 208 114 TYR HA H 4.159 0.020 1 1183 208 114 TYR HB2 H 2.932 0.020 2 1184 208 114 TYR HB3 H 3.073 0.020 2 1185 208 114 TYR HD1 H 6.850 0.020 1 1186 208 114 TYR HD2 H 6.850 0.020 1 1187 208 114 TYR HE1 H 6.675 0.020 1 1188 208 114 TYR HE2 H 6.675 0.020 1 1189 208 114 TYR CA C 62.245 0.400 1 1190 208 114 TYR CB C 37.502 0.400 1 1191 208 114 TYR CD1 C 132.664 0.400 1 1192 208 114 TYR CD2 C 132.664 0.400 1 1193 208 114 TYR CE1 C 118.009 0.400 1 1194 208 114 TYR CE2 C 118.009 0.400 1 1195 209 115 LEU H H 7.578 0.020 1 1196 209 115 LEU HA H 3.696 0.020 1 1197 209 115 LEU HB2 H 0.828 0.020 2 1198 209 115 LEU HB3 H 1.868 0.020 2 1199 209 115 LEU HD1 H -0.204 0.020 2 1200 209 115 LEU HD2 H 0.147 0.020 2 1201 209 115 LEU HG H 1.505 0.020 1 1202 209 115 LEU CA C 58.262 0.400 1 1203 209 115 LEU CB C 41.374 0.400 1 1204 209 115 LEU CD1 C 24.968 0.400 1 1205 209 115 LEU CD2 C 22.456 0.400 1 1206 209 115 LEU CG C 25.909 0.400 1 1207 209 115 LEU N N 118.689 0.400 1 1208 210 116 GLU H H 7.939 0.020 1 1209 210 116 GLU HA H 3.941 0.020 1 1210 210 116 GLU HB2 H 2.029 0.020 2 1211 210 116 GLU HB3 H 2.402 0.020 2 1212 210 116 GLU HG2 H 2.351 0.020 2 1213 210 116 GLU HG3 H 2.663 0.020 2 1214 210 116 GLU CA C 58.911 0.400 1 1215 210 116 GLU CB C 30.371 0.400 1 1216 210 116 GLU CG C 37.440 0.400 1 1217 210 116 GLU N N 113.672 0.400 1 1218 211 117 THR H H 8.016 0.020 1 1219 211 117 THR HA H 4.130 0.020 1 1220 211 117 THR HB H 4.336 0.020 1 1221 211 117 THR HG2 H 1.146 0.020 1 1222 211 117 THR CA C 63.678 0.400 1 1223 211 117 THR CB C 69.664 0.400 1 1224 211 117 THR CG2 C 21.484 0.400 1 1225 211 117 THR N N 112.593 0.400 1 1226 212 118 TYR H H 7.692 0.020 1 1227 212 118 TYR HA H 4.445 0.020 1 1228 212 118 TYR HB2 H 2.729 0.020 2 1229 212 118 TYR HB3 H 3.618 0.020 2 1230 212 118 TYR HD1 H 6.982 0.020 1 1231 212 118 TYR HD2 H 6.982 0.020 1 1232 212 118 TYR HE1 H 6.615 0.020 1 1233 212 118 TYR HE2 H 6.615 0.020 1 1234 212 118 TYR CA C 57.768 0.400 1 1235 212 118 TYR CB C 39.649 0.400 1 1236 212 118 TYR CD1 C 132.940 0.400 1 1237 212 118 TYR CD2 C 132.940 0.400 1 1238 212 118 TYR CE1 C 117.929 0.400 1 1239 212 118 TYR CE2 C 117.929 0.400 1 1240 212 118 TYR N N 121.603 0.400 1 1241 213 119 LYS H H 7.627 0.020 1 1242 213 119 LYS HA H 4.147 0.020 1 1243 213 119 LYS HB2 H 1.574 0.020 2 1244 213 119 LYS HB3 H 1.808 0.020 2 1245 213 119 LYS HD2 H 1.586 0.020 2 1246 213 119 LYS HD3 H 1.760 0.020 2 1247 213 119 LYS HE2 H 2.882 0.020 2 1248 213 119 LYS HE3 H 2.882 0.020 2 1249 213 119 LYS HG2 H 1.327 0.020 2 1250 213 119 LYS HG3 H 1.327 0.020 2 1251 213 119 LYS CA C 56.744 0.400 1 1252 213 119 LYS CB C 32.551 0.400 1 1253 213 119 LYS CD C 28.842 0.400 1 1254 213 119 LYS CE C 42.452 0.400 1 1255 213 119 LYS CG C 24.278 0.400 1 1256 213 119 LYS N N 122.096 0.400 1 1257 214 120 ALA H H 7.935 0.020 1 1258 214 120 ALA HA H 4.173 0.020 1 1259 214 120 ALA HB H 1.340 0.020 1 1260 214 120 ALA CA C 53.148 0.400 1 1261 214 120 ALA CB C 18.735 0.400 1 1262 214 120 ALA N N 122.604 0.400 1 1263 215 121 TYR H H 7.759 0.020 1 1264 215 121 TYR HA H 4.425 0.020 1 1265 215 121 TYR HB2 H 3.021 0.020 2 1266 215 121 TYR HB3 H 3.021 0.020 2 1267 215 121 TYR HD1 H 7.016 0.020 1 1268 215 121 TYR HD2 H 7.016 0.020 1 1269 215 121 TYR HE1 H 6.686 0.020 1 1270 215 121 TYR HE2 H 6.686 0.020 1 1271 215 121 TYR CA C 58.377 0.400 1 1272 215 121 TYR CB C 38.323 0.400 1 1273 215 121 TYR CD1 C 132.906 0.400 1 1274 215 121 TYR CD2 C 132.906 0.400 1 1275 215 121 TYR CE1 C 118.003 0.400 1 1276 215 121 TYR CE2 C 118.003 0.400 1 1277 215 121 TYR N N 118.154 0.400 1 1278 216 122 GLU H H 7.918 0.020 1 1279 216 122 GLU HA H 4.173 0.020 1 1280 216 122 GLU HB2 H 1.868 0.020 2 1281 216 122 GLU HB3 H 1.868 0.020 2 1282 216 122 GLU HG2 H 2.124 0.020 2 1283 216 122 GLU HG3 H 2.198 0.020 2 1284 216 122 GLU CA C 56.592 0.400 1 1285 216 122 GLU CB C 30.127 0.400 1 1286 216 122 GLU CG C 35.972 0.400 1 1287 216 122 GLU N N 121.316 0.400 1 1288 217 123 GLN H H 8.171 0.020 1 1289 217 123 GLN HA H 4.268 0.020 1 1290 217 123 GLN HB2 H 1.971 0.020 2 1291 217 123 GLN HB3 H 2.093 0.020 2 1292 217 123 GLN HG2 H 2.374 0.020 2 1293 217 123 GLN HG3 H 2.374 0.020 2 1294 217 123 GLN CA C 55.681 0.400 1 1295 217 123 GLN CB C 29.604 0.400 1 1296 217 123 GLN CG C 33.957 0.400 1 1297 217 123 GLN N N 120.488 0.400 1 1298 218 124 LYS H H 8.258 0.020 1 1299 218 124 LYS HA H 4.590 0.020 1 1300 218 124 LYS HB2 H 1.698 0.020 2 1301 218 124 LYS HB3 H 1.809 0.020 2 1302 218 124 LYS HD2 H 1.656 0.020 2 1303 218 124 LYS HD3 H 1.656 0.020 2 1304 218 124 LYS HE2 H 2.967 0.020 2 1305 218 124 LYS HE3 H 2.967 0.020 2 1306 218 124 LYS HG2 H 1.439 0.020 2 1307 218 124 LYS HG3 H 1.439 0.020 2 1308 218 124 LYS CA C 54.308 0.400 1 1309 218 124 LYS CB C 32.473 0.400 1 1310 218 124 LYS CD C 29.095 0.400 1 1311 218 124 LYS CE C 42.200 0.400 1 1312 218 124 LYS CG C 24.550 0.400 1 1313 218 124 LYS N N 123.627 0.400 1 1314 219 125 PRO HA H 4.393 0.020 1 1315 219 125 PRO HB2 H 1.924 0.020 2 1316 219 125 PRO HB3 H 2.283 0.020 2 1317 219 125 PRO HD2 H 3.628 0.020 2 1318 219 125 PRO HD3 H 3.805 0.020 2 1319 219 125 PRO HG2 H 2.027 0.020 2 1320 219 125 PRO HG3 H 2.027 0.020 2 1321 219 125 PRO CA C 63.568 0.400 1 1322 219 125 PRO CB C 32.010 0.400 1 1323 219 125 PRO CD C 50.648 0.400 1 1324 219 125 PRO CG C 27.499 0.400 1 stop_ save_