data_25217 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for AUX/IAA17 ; _BMRB_accession_number 25217 _BMRB_flat_file_name bmr25217.str _Entry_type original _Submission_date 2014-09-11 _Accession_date 2014-09-11 _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 Suh Jeong-Yong . . 2 Han Mookyoung . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 520 "13C chemical shifts" 428 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 update author 'update entry citation and sample components' 2014-12-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the auxin-induced transcriptional regulation by Aux/IAA17' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25512488 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Han Mookyoung . . 2 Park Yangshin . . 3 Kim Iktae . . 4 Kim Eun-Hee . . 5 Yu Tae-Kyung . . 6 Rhee Sangkee . . 7 Suh Jeong-Yong . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_name_full 'PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA' _Journal_volume 111 _Journal_issue 52 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18613 _Page_last 18618 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AUX IAA17' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AUX IAA17' $Aux-IAA17 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_Aux-IAA17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Aux-IAA17 _Molecular_mass 12801.768 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GGPEAAAFVKVSMDGAPYLR KIDLRMYKSYDELSNALSNM FSSFTMGKHGGEEGMIDFMN ERKLMDLVNSWDYVPSYENK DGNWMLVGDVPWPMFVDTCK RLRLMKGSDAIGL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 105 GLY 2 106 GLY 3 107 PRO 4 108 GLU 5 109 ALA 6 110 ALA 7 111 ALA 8 112 PHE 9 113 VAL 10 114 LYS 11 115 VAL 12 116 SER 13 117 MET 14 118 ASP 15 119 GLY 16 120 ALA 17 121 PRO 18 122 TYR 19 123 LEU 20 124 ARG 21 125 LYS 22 126 ILE 23 127 ASP 24 128 LEU 25 129 ARG 26 130 MET 27 131 TYR 28 132 LYS 29 133 SER 30 134 TYR 31 135 ASP 32 136 GLU 33 137 LEU 34 138 SER 35 139 ASN 36 140 ALA 37 141 LEU 38 142 SER 39 143 ASN 40 144 MET 41 145 PHE 42 146 SER 43 147 SER 44 148 PHE 45 149 THR 46 150 MET 47 151 GLY 48 152 LYS 49 153 HIS 50 154 GLY 51 155 GLY 52 156 GLU 53 157 GLU 54 158 GLY 55 159 MET 56 160 ILE 57 161 ASP 58 162 PHE 59 163 MET 60 164 ASN 61 165 GLU 62 166 ARG 63 167 LYS 64 168 LEU 65 169 MET 66 170 ASP 67 171 LEU 68 172 VAL 69 173 ASN 70 174 SER 71 175 TRP 72 176 ASP 73 177 TYR 74 178 VAL 75 179 PRO 76 180 SER 77 181 TYR 78 182 GLU 79 183 ASN 80 184 LYS 81 185 ASP 82 186 GLY 83 187 ASN 84 188 TRP 85 189 MET 86 190 LEU 87 191 VAL 88 192 GLY 89 193 ASP 90 194 VAL 91 195 PRO 92 196 TRP 93 197 PRO 94 198 MET 95 199 PHE 96 200 VAL 97 201 ASP 98 202 THR 99 203 CYS 100 204 LYS 101 205 ARG 102 206 LEU 103 207 ARG 104 208 LEU 105 209 MET 106 210 LYS 107 211 GLY 108 212 SER 109 213 ASP 110 214 ALA 111 215 ILE 112 216 GLY 113 217 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MUK "1h, 13c, And 15n Chemical Shift Assignments For Aux/iaa17" 100.00 113 100.00 100.00 2.55e-76 GB AAB70451 "Identical to Arabidopsis gb|AF040632 and gb|U49073 IAA17/AXR3 gene. ESTs gb|H36782 and gb|F14074 come from this gene [Arabidops" 100.00 229 98.23 100.00 1.17e-74 GB AAB84354 "IAA17 [Arabidopsis thaliana]" 100.00 229 98.23 100.00 1.17e-74 GB AAC39439 "IAA17/AXR3 protein [Arabidopsis thaliana]" 100.00 229 98.23 100.00 1.17e-74 GB AAC39440 "IAA17/AXR3-1 protein [Arabidopsis thaliana]" 100.00 229 98.23 100.00 1.01e-74 GB AAG53997 "auxin-induced protein, IAA17/AXR3-1 [Arabidopsis thaliana]" 100.00 229 98.23 100.00 1.17e-74 REF NP_171921 "auxin-responsive protein IAA17 [Arabidopsis thaliana]" 100.00 229 98.23 100.00 1.17e-74 REF XP_002889499 "hypothetical protein ARALYDRAFT_470401 [Arabidopsis lyrata subsp. lyrata]" 100.00 229 97.35 100.00 1.52e-74 SP P93830 "RecName: Full=Auxin-responsive protein IAA17; AltName: Full=Auxin response 3; AltName: Full=Indoleacetic acid-induced protein 1" 100.00 229 98.23 100.00 1.17e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Aux-IAA17 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $Aux-IAA17 'recombinant technology' . Escherichia coli . pET28 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 $Aux-IAA17 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 temperature 298 . K pH 7.4 . pH pressure 1 . atm 'ionic strength' 0.01 . M 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 H 1 protons ppm 4.773 internal direct . . . 1 water C 13 protons ppm 4.773 internal indirect . . . 0.25144953 water N 15 protons ppm 4.773 internal indirect . . . 0.10132911 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 HNCACB' '3D CBCA(CO)NH' 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 'AUX IAA17' _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 1 107 3 PRO HA H 4.394 . . 2 107 3 PRO HB2 H 1.923 . . 3 107 3 PRO HB3 H 2.263 . . 4 107 3 PRO HG3 H 2.002 . . 5 107 3 PRO HD2 H 3.603 . . 6 107 3 PRO HD3 H 3.637 . . 7 107 3 PRO C C 177.2400 . . 8 107 3 PRO CA C 63.4400 . . 9 107 3 PRO CB C 32.0800 . . 10 107 3 PRO CG C 27.13 . . 11 107 3 PRO CD C 49.79 . . 12 108 4 GLU H H 8.6193 . . 13 108 4 GLU HA H 4.224 . . 14 108 4 GLU HB2 H 1.896 . . 15 108 4 GLU HB3 H 2.015 . . 16 108 4 GLU HG3 H 1.604 . . 17 108 4 GLU C C 176.1600 . . 18 108 4 GLU CA C 56.6400 . . 19 108 4 GLU CB C 29.8200 . . 20 108 4 GLU CG C 27.0670 . . 21 108 4 GLU N N 120.9000 . . 22 109 5 ALA H H 8.1768 . . 23 109 5 ALA HA H 4.235 . . 24 109 5 ALA HB H 1.343 . . 25 109 5 ALA C C 177.0000 . . 26 109 5 ALA CA C 52.3300 . . 27 109 5 ALA CB C 19.4100 . . 28 109 5 ALA N N 124.9330 . . 29 110 6 ALA H H 8.0220 . . 30 110 6 ALA HA H 4.143 . . 31 110 6 ALA HB H 1.063 . . 32 110 6 ALA C C 176.9300 . . 33 110 6 ALA CA C 52.4500 . . 34 110 6 ALA CB C 19.8600 . . 35 110 6 ALA N N 122.8320 . . 36 111 7 ALA H H 8.4465 . . 37 111 7 ALA HA H 4.499 . . 38 111 7 ALA HB H 1.166 . . 39 111 7 ALA C C 176.0300 . . 40 111 7 ALA CA C 51.3100 . . 41 111 7 ALA CB C 19.3800 . . 42 111 7 ALA N N 126.5320 . . 43 112 8 PHE H H 7.8916 . . 44 112 8 PHE HA H 5.243 . . 45 112 8 PHE HB2 H 2.836 . . 46 112 8 PHE HB3 H 2.915 . . 47 112 8 PHE HD2 H 7.077 . . 48 112 8 PHE C C 177.1900 . . 49 112 8 PHE CA C 57.8800 . . 50 112 8 PHE CB C 40.4000 . . 51 112 8 PHE CD2 C 131.23 . . 52 112 8 PHE N N 117.7180 . . 53 113 9 VAL H H 9.1811 . . 54 113 9 VAL HA H 4.572 . . 55 113 9 VAL HB H 2.015 . . 56 113 9 VAL HG1 H 0.815 . . 57 113 9 VAL HG2 H 0.845 . . 58 113 9 VAL C C 174.8400 . . 59 113 9 VAL CA C 60.0900 . . 60 113 9 VAL CB C 35.4800 . . 61 113 9 VAL CG1 C 22.1610 . . 62 113 9 VAL CG2 C 19.9470 . . 63 113 9 VAL N N 118.3790 . . 64 114 10 LYS H H 8.5792 . . 65 114 10 LYS HA H 4.932 . . 66 114 10 LYS HB2 H 1.846 . . 67 114 10 LYS HB3 H 1.915 . . 68 114 10 LYS HG3 H 1.417 . . 69 114 10 LYS HD2 H 1.689 . . 70 114 10 LYS HD3 H 1.722 . . 71 114 10 LYS HE3 H 3.002 . . 72 114 10 LYS C C 175.5900 . . 73 114 10 LYS CA C 56.2300 . . 74 114 10 LYS CB C 34.3900 . . 75 114 10 LYS CG C 26.1030 . . 76 114 10 LYS CD C 29.6790 . . 77 114 10 LYS CE C 42.2790 . . 78 114 10 LYS N N 122.7490 . . 79 115 11 VAL H H 9.0289 . . 80 115 11 VAL HA H 5.091 . . 81 115 11 VAL HB H 2.007 . . 82 115 11 VAL HG1 H 0.979 . . 83 115 11 VAL HG2 H 0.839 . . 84 115 11 VAL C C 174.0100 . . 85 115 11 VAL CA C 60.3600 . . 86 115 11 VAL CB C 34.4300 . . 87 115 11 VAL CG1 C 21.6310 . . 88 115 11 VAL N N 121.1890 . . 89 116 12 SER H H 8.2785 . . 90 116 12 SER HA H 5.058 . . 91 116 12 SER HB2 H 3.74 . . 92 116 12 SER HB3 H 4.037 . . 93 116 12 SER C C 171.7100 . . 94 116 12 SER CA C 56.0500 . . 95 116 12 SER CB C 66.7300 . . 96 116 12 SER N N 120.2270 . . 97 117 13 MET H H 9.3269 . . 98 117 13 MET HA H 4.62 . . 99 117 13 MET HB3 H 1.947 . . 100 117 13 MET HG3 H 2.357 . . 101 117 13 MET C C 174.9800 . . 102 117 13 MET CA C 53.9600 . . 103 117 13 MET CB C 35.6000 . . 104 117 13 MET CG C 31.0930 . . 105 117 13 MET N N 122.6340 . . 106 118 14 ASP H H 8.3709 . . 107 118 14 ASP HA H 4.26 . . 108 118 14 ASP HB2 H 2.659 . . 109 118 14 ASP HB3 H 2.72 . . 110 118 14 ASP C C 176.2800 . . 111 118 14 ASP CA C 56.3000 . . 112 118 14 ASP CB C 40.0300 . . 113 118 14 ASP N N 128.5290 . . 114 119 15 GLY HA2 H 3.622 . . 115 119 15 GLY HA3 H 4.219 . . 116 119 15 GLY C C 173.272 . . 117 119 15 GLY CA C 45.3000 . . 118 120 16 ALA H H 8.1002 . . 119 120 16 ALA HA H 4.665 . . 120 120 16 ALA HB H 1.165 . . 121 120 16 ALA C C 177.4200 . . 122 120 16 ALA CA C 49.0700 . . 123 120 16 ALA CB C 19.8800 . . 124 120 16 ALA N N 123.5530 . . 125 121 17 PRO HA H 4.58 . . 126 121 17 PRO HB2 H 2.096 . . 127 121 17 PRO HB3 H 2.359 . . 128 121 17 PRO HG2 H 1.806 . . 129 121 17 PRO HG3 H 1.914 . . 130 121 17 PRO HD2 H 3.506 . . 131 121 17 PRO HD3 H 3.562 . . 132 121 17 PRO CA C 62.53 . . 133 121 17 PRO CB C 34.65 . . 134 121 17 PRO CG C 24.74 . . 135 121 17 PRO CD C 50.43 . . 136 122 18 TYR HA H 4.782 . . 137 122 18 TYR HB2 H 2.893 . . 138 122 18 TYR HB3 H 3.049 . . 139 122 18 TYR HD1 H 6.953 . . 140 122 18 TYR C C 174.7000 . . 141 122 18 TYR CA C 56.14 . . 142 122 18 TYR CB C 39.5200 . . 143 122 18 TYR CD1 C 133.11 . . 144 123 19 LEU H H 8.6540 . . 145 123 19 LEU HA H 5.075 . . 146 123 19 LEU HB2 H 1.648 . . 147 123 19 LEU HB3 H 1.713 . . 148 123 19 LEU HG H 1.722 . . 149 123 19 LEU HD1 H 0.928 . . 150 123 19 LEU CA C 54.53 . . 151 123 19 LEU CB C 44.65 . . 152 123 19 LEU CG C 27.45 . . 153 123 19 LEU CD1 C 25.17 . . 154 123 19 LEU N N 123.2400 . . 155 124 20 ARG H H 8.6279 . . 156 124 20 ARG HB2 H 1.588 . . 157 124 20 ARG HB3 H 1.885 . . 158 124 20 ARG C C 174.580 . . 159 124 20 ARG CA C 53.4800 . . 160 124 20 ARG CB C 33.7700 . . 161 124 20 ARG CD C 42.28 . . 162 124 20 ARG N N 120.6970 . . 163 125 21 LYS H H 8.4437 . . 164 125 21 LYS HA H 5.386 . . 165 125 21 LYS HB3 H 1.605 . . 166 125 21 LYS HG2 H 1.231 . . 167 125 21 LYS HG3 H 1.281 . . 168 125 21 LYS HE3 H 2.921 . . 169 125 21 LYS C C 175.0790 . . 170 125 21 LYS CA C 55.4800 . . 171 125 21 LYS CB C 35.5700 . . 172 125 21 LYS CG C 24.6780 . . 173 125 21 LYS CD C 29.5570 . . 174 125 21 LYS CE C 41.4550 . . 175 125 21 LYS N N 120.0830 . . 176 126 22 ILE H H 9.0718 . . 177 126 22 ILE HA H 4.762 . . 178 126 22 ILE HB H 1.775 . . 179 126 22 ILE HG12 H 1.058 . . 180 126 22 ILE HG13 H 1.655 . . 181 126 22 ILE HG2 H 0.866 . . 182 126 22 ILE HD1 H 0.768 . . 183 126 22 ILE C C 172.1900 . . 184 126 22 ILE CA C 59.7400 . . 185 126 22 ILE CB C 42.8500 . . 186 126 22 ILE CG1 C 27.9810 . . 187 126 22 ILE CG2 C 17.1290 . . 188 126 22 ILE CD1 C 14.4540 . . 189 126 22 ILE N N 119.7010 . . 190 127 23 ASP H H 8.5361 . . 191 127 23 ASP HA H 4.691 . . 192 127 23 ASP HB2 H 1.909 . . 193 127 23 ASP HB3 H 2.672 . . 194 127 23 ASP C C 177.4900 . . 195 127 23 ASP CA C 51.6500 . . 196 127 23 ASP CB C 40.6500 . . 197 127 23 ASP N N 124.2160 . . 198 128 24 LEU H H 8.8241 . . 199 128 24 LEU HA H 4.251 . . 200 128 24 LEU HB2 H 1.558 . . 201 128 24 LEU HB3 H 1.852 . . 202 128 24 LEU HG H 1.574 . . 203 128 24 LEU HD1 H 0.911 . . 204 128 24 LEU HD2 H 0.774 . . 205 128 24 LEU C C 178.3200 . . 206 128 24 LEU CA C 57.6400 . . 207 128 24 LEU CB C 42.6500 . . 208 128 24 LEU CG C 27.0320 . . 209 128 24 LEU CD1 C 25.2870 . . 210 128 24 LEU CD2 C 23.531 . . 211 128 24 LEU N N 123.4950 . . 212 129 25 ARG H H 8.1869 . . 213 129 25 ARG HA H 4.244 . . 214 129 25 ARG HB3 H 1.883 . . 215 129 25 ARG HG2 H 1.603 . . 216 129 25 ARG HG3 H 1.714 . . 217 129 25 ARG HD2 H 3.079 . . 218 129 25 ARG HD3 H 3.152 . . 219 129 25 ARG C C 177.8700 . . 220 129 25 ARG CA C 57.5200 . . 221 129 25 ARG CB C 29.0700 . . 222 129 25 ARG CG C 27.6580 . . 223 129 25 ARG CD C 42.9870 . . 224 129 25 ARG N N 113.1960 . . 225 130 26 MET H H 7.4405 . . 226 130 26 MET HA H 4.076 . . 227 130 26 MET HB3 H 1.532 . . 228 130 26 MET HG2 H 2.301 . . 229 130 26 MET HG3 H 2.42 . . 230 130 26 MET C C 174.8900 . . 231 130 26 MET CA C 55.8800 . . 232 130 26 MET CB C 31.8300 . . 233 130 26 MET CG C 32.0730 . . 234 130 26 MET N N 115.4760 . . 235 131 27 TYR H H 7.4585 . . 236 131 27 TYR HA H 4.818 . . 237 131 27 TYR HB2 H 3.004 . . 238 131 27 TYR HB3 H 3.043 . . 239 131 27 TYR HD2 H 7.095 . . 240 131 27 TYR HE2 H 6.660 . . 241 131 27 TYR C C 174.6100 . . 242 131 27 TYR CA C 56.4100 . . 243 131 27 TYR CB C 41.1800 . . 244 131 27 TYR CD2 C 132.73 . . 245 131 27 TYR N N 118.3770 . . 246 132 28 LYS H H 8.5150 . . 247 132 28 LYS HA H 4.331 . . 248 132 28 LYS HB2 H 1.55 . . 249 132 28 LYS HB3 H 1.729 . . 250 132 28 LYS HG2 H 1.351 . . 251 132 28 LYS HG3 H 1.29 . . 252 132 28 LYS HD3 H 1.626 . . 253 132 28 LYS HE3 H 2.96 . . 254 132 28 LYS C C 174.9100 . . 255 132 28 LYS CA C 54.9400 . . 256 132 28 LYS CB C 33.9600 . . 257 132 28 LYS CG C 24.4300 . . 258 132 28 LYS CD C 28.8200 . . 259 132 28 LYS CE C 42.0570 . . 260 132 28 LYS N N 115.5470 . . 261 133 29 SER H H 6.3094 . . 262 133 29 SER HA H 3.386 . . 263 133 29 SER HB2 H 3.613 . . 264 133 29 SER HB3 H 3.947 . . 265 133 29 SER C C 173.0200 . . 266 133 29 SER CA C 55.8900 . . 267 133 29 SER CB C 65.8800 . . 268 133 29 SER N N 109.4500 . . 269 134 30 TYR H H 8.0962 . . 270 134 30 TYR HA H 4.124 . . 271 134 30 TYR HB2 H 2.801 . . 272 134 30 TYR HB3 H 3.165 . . 273 134 30 TYR HD2 H 7.150 . . 274 134 30 TYR C C 178.2400 . . 275 134 30 TYR CA C 62.2800 . . 276 134 30 TYR CB C 37.5800 . . 277 134 30 TYR CD2 C 133.17 . . 278 134 30 TYR N N 118.2070 . . 279 135 31 ASP HA H 4.375 . . 280 135 31 ASP HB2 H 2.505 . . 281 135 31 ASP HB3 H 2.602 . . 282 135 31 ASP C C 178.4800 . . 283 135 31 ASP CA C 57.4900 . . 284 135 31 ASP CB C 40.2000 . . 285 136 32 GLU H H 7.4863 . . 286 136 32 GLU HA H 3.995 . . 287 136 32 GLU HB2 H 1.984 . . 288 136 32 GLU HB3 H 2.238 . . 289 136 32 GLU HG2 H 2.372 . . 290 136 32 GLU HG3 H 2.259 . . 291 136 32 GLU C C 179.9100 . . 292 136 32 GLU CA C 59.4500 . . 293 136 32 GLU CB C 30.6800 . . 294 136 32 GLU CG C 36.8350 . . 295 136 32 GLU N N 119.6140 . . 296 137 33 LEU H H 7.7014 . . 297 137 33 LEU HA H 3.458 . . 298 137 33 LEU HB2 H 1.564 . . 299 137 33 LEU HB3 H 2.149 . . 300 137 33 LEU HG H 1.264 . . 301 137 33 LEU HD1 H 0.786 . . 302 137 33 LEU C C 177.6700 . . 303 137 33 LEU CA C 57.7200 . . 304 137 33 LEU CB C 41.5200 . . 305 137 33 LEU CG C 26.9030 . . 306 137 33 LEU CD1 C 23.4390 . . 307 137 33 LEU N N 120.7130 . . 308 138 34 SER H H 8.7917 . . 309 138 34 SER HA H 4.017 . . 310 138 34 SER C C 177.685 . . 311 138 34 SER CA C 62.5500 . . 312 138 34 SER N N 114.7230 . . 313 139 35 ASN H H 7.6695 . . 314 139 35 ASN HA H 4.378 . . 315 139 35 ASN HB2 H 2.762 . . 316 139 35 ASN HB3 H 2.817 . . 317 139 35 ASN HD21 H 7.6629 . . 318 139 35 ASN HD22 H 6.9680 . . 319 139 35 ASN C C 177.141 . . 320 139 35 ASN CA C 56.4900 . . 321 139 35 ASN CB C 38.7500 . . 322 139 35 ASN N N 119.1770 . . 323 139 35 ASN ND2 N 113.158 . . 324 140 36 ALA H H 7.7277 . . 325 140 36 ALA HA H 4.183 . . 326 140 36 ALA HB H 1.393 . . 327 140 36 ALA C C 181.0800 . . 328 140 36 ALA CA C 55.2900 . . 329 140 36 ALA CB C 18.4200 . . 330 140 36 ALA N N 122.8720 . . 331 141 37 LEU H H 8.6664 . . 332 141 37 LEU HA H 4.135 . . 333 141 37 LEU HB2 H 1.411 . . 334 141 37 LEU HB3 H 2.159 . . 335 141 37 LEU HG H 1.977 . . 336 141 37 LEU HD1 H 0.911 . . 337 141 37 LEU HD2 H 0.965 . . 338 141 37 LEU C C 178.7500 . . 339 141 37 LEU CA C 57.9200 . . 340 141 37 LEU CB C 41.6700 . . 341 141 37 LEU CG C 26.60 . . 342 141 37 LEU CD1 C 26.03 . . 343 141 37 LEU CD2 C 23.61 . . 344 141 37 LEU N N 118.2810 . . 345 142 38 SER H H 8.0558 . . 346 142 38 SER HA H 3.812 . . 347 142 38 SER HB3 H 3.663 . . 348 142 38 SER C C 176.7510 . . 349 142 38 SER CA C 61.1000 . . 350 142 38 SER CB C 62.4700 . . 351 142 38 SER N N 113.8470 . . 352 143 39 ASN H H 7.6667 . . 353 143 39 ASN HA H 4.575 . . 354 143 39 ASN HB3 H 2.839 . . 355 143 39 ASN HD21 H 7.5180 . . 356 143 39 ASN HD22 H 6.9171 . . 357 143 39 ASN C C 177.294 . . 358 143 39 ASN CA C 55.4100 . . 359 143 39 ASN CB C 39.0800 . . 360 143 39 ASN N N 118.6440 . . 361 143 39 ASN ND2 N 113.118 . . 362 144 40 MET H H 7.9904 . . 363 144 40 MET HA H 4.104 . . 364 144 40 MET HB3 H 1.812 . . 365 144 40 MET HG3 H 2.148 . . 366 144 40 MET C C 176.9500 . . 367 144 40 MET CA C 58.5200 . . 368 144 40 MET CB C 34.1100 . . 369 144 40 MET CG C 31.9450 . . 370 144 40 MET N N 118.8460 . . 371 145 41 PHE H H 7.9396 . . 372 145 41 PHE HA H 4.626 . . 373 145 41 PHE HB2 H 2.868 . . 374 145 41 PHE HB3 H 3.367 . . 375 145 41 PHE HD1 H 7.241 . . 376 145 41 PHE CA C 59.5400 . . 377 145 41 PHE CB C 39.5500 . . 378 145 41 PHE CD1 C 132.18 . . 379 145 41 PHE N N 117.3000 . . 380 147 43 SER HA H 4.307 . . 381 147 43 SER HB3 H 3.8 . . 382 147 43 SER C C 175.150 . . 383 147 43 SER CA C 60.1400 . . 384 147 43 SER CB C 62.9200 . . 385 148 44 PHE H H 7.9040 . . 386 148 44 PHE HA H 4.614 . . 387 148 44 PHE HB2 H 3.05 . . 388 148 44 PHE HB3 H 3.194 . . 389 148 44 PHE HD1 H 7.222 . . 390 148 44 PHE C C 176.465 . . 391 148 44 PHE CA C 58.9700 . . 392 148 44 PHE CB C 39.4600 . . 393 148 44 PHE CD1 C 132.06 . . 394 148 44 PHE N N 120.8700 . . 395 149 45 THR H H 7.9483 . . 396 149 45 THR HA H 4.567 . . 397 149 45 THR HB H 4.235 . . 398 149 45 THR HG2 H 1.144 . . 399 149 45 THR CA C 62.6100 . . 400 149 45 THR CB C 69.6900 . . 401 149 45 THR CG2 C 22.11 . . 402 149 45 THR N N 112.1170 . . 403 150 46 MET H H 8.1170 . . 404 150 46 MET C C 176.36 . . 405 150 46 MET CA C 56.4400 . . 406 150 46 MET N N 120.7600 . . 407 151 47 GLY HA3 H 3.85 . . 408 151 47 GLY C C 173.9900 . . 409 151 47 GLY CA C 45.4100 . . 410 152 48 LYS H H 8.0220 . . 411 152 48 LYS HA H 4.267 . . 412 152 48 LYS C C 176.328 . . 413 152 48 LYS CA C 56.1700 . . 414 152 48 LYS CB C 33.0600 . . 415 152 48 LYS CE C 40.0580 . . 416 152 48 LYS N N 120.2900 . . 417 153 49 HIS H H 8.3390 . . 418 153 49 HIS HA H 4.457 . . 419 153 49 HIS HB3 H 2.086 . . 420 153 49 HIS HD2 H 7.000 . . 421 153 49 HIS HE1 H 7.788 . . 422 153 49 HIS C C 176.6100 . . 423 153 49 HIS CA C 55.9400 . . 424 153 49 HIS CB C 32.9200 . . 425 153 49 HIS CE1 C 138.26 . . 426 153 49 HIS N N 120.6200 . . 427 154 50 GLY H H 8.1310 . . 428 154 50 GLY HA3 H 3.618 . . 429 154 50 GLY C C 174.0300 . . 430 154 50 GLY CA C 45.5000 . . 431 154 50 GLY N N 109.0400 . . 432 155 51 GLY HA3 H 3.971 . . 433 155 51 GLY C C 174.3700 . . 434 155 51 GLY CA C 45.4380 . . 435 156 52 GLU H H 8.4352 . . 436 156 52 GLU HA H 4.263 . . 437 156 52 GLU HB2 H 1.94 . . 438 156 52 GLU HB3 H 2.056 . . 439 156 52 GLU HG3 H 2.243 . . 440 156 52 GLU C C 176.8500 . . 441 156 52 GLU CA C 57.0000 . . 442 156 52 GLU CB C 30.1500 . . 443 156 52 GLU CG C 36.3440 . . 444 156 52 GLU N N 120.7530 . . 445 157 53 GLU H H 8.6124 . . 446 157 53 GLU HA H 4.195 . . 447 157 53 GLU HB2 H 1.949 . . 448 157 53 GLU HB3 H 2.045 . . 449 157 53 GLU C C 177.0500 . . 450 157 53 GLU CA C 57.2600 . . 451 157 53 GLU CB C 29.9600 . . 452 157 53 GLU N N 121.2870 . . 453 158 54 GLY H H 8.3580 . . 454 158 54 GLY HA3 H 3.936 . . 455 158 54 GLY C C 174.2300 . . 456 158 54 GLY CA C 45.4100 . . 457 158 54 GLY N N 109.3400 . . 458 159 55 MET H H 8.0752 . . 459 159 55 MET HA H 4.495 . . 460 159 55 MET HB2 H 2.005 . . 461 159 55 MET HB3 H 2.07 . . 462 159 55 MET HG3 H 2.598 . . 463 159 55 MET C C 176.2900 . . 464 159 55 MET CA C 55.6300 . . 465 159 55 MET CB C 32.9300 . . 466 159 55 MET CG C 32.1450 . . 467 159 55 MET N N 119.6860 . . 468 160 56 ILE H H 8.1026 . . 469 160 56 ILE HA H 4.056 . . 470 160 56 ILE HB H 1.76 . . 471 160 56 ILE HG12 H 1.091 . . 472 160 56 ILE HG13 H 1.4 . . 473 160 56 ILE HG2 H 0.731 . . 474 160 56 ILE HD1 H 0.812 . . 475 160 56 ILE C C 175.7700 . . 476 160 56 ILE CA C 61.5000 . . 477 160 56 ILE CB C 38.7600 . . 478 160 56 ILE CG1 C 27.4450 . . 479 160 56 ILE CG2 C 17.4530 . . 480 160 56 ILE CD1 C 13.0450 . . 481 160 56 ILE N N 121.6010 . . 482 161 57 ASP H H 8.3077 . . 483 161 57 ASP HA H 4.601 . . 484 161 57 ASP HB2 H 2.526 . . 485 161 57 ASP HB3 H 2.657 . . 486 161 57 ASP C C 176.3300 . . 487 161 57 ASP CA C 54.2700 . . 488 161 57 ASP CB C 41.0200 . . 489 161 57 ASP N N 123.4410 . . 490 162 58 PHE H H 8.1205 . . 491 162 58 PHE HA H 4.477 . . 492 162 58 PHE HB2 H 3.057 . . 493 162 58 PHE HB3 H 3.136 . . 494 162 58 PHE HD1 H 7.224 . . 495 162 58 PHE C C 176.2500 . . 496 162 58 PHE CA C 58.8400 . . 497 162 58 PHE CB C 39.1800 . . 498 162 58 PHE N N 120.7390 . . 499 163 59 MET H H 8.2380 . . 500 163 59 MET HA H 4.318 . . 501 163 59 MET HB2 H 2.012 . . 502 163 59 MET HB3 H 2.076 . . 503 163 59 MET HG3 H 2.481 . . 504 163 59 MET C C 176.3600 . . 505 163 59 MET CA C 56.2500 . . 506 163 59 MET CB C 32.0500 . . 507 163 59 MET CG C 32.2330 . . 508 163 59 MET N N 119.6790 . . 509 164 60 ASN H H 8.1060 . . 510 164 60 ASN HA H 4.6 . . 511 164 60 ASN HB2 H 2.756 . . 512 164 60 ASN HB3 H 2.826 . . 513 164 60 ASN HD21 H 7.7724 . . 514 164 60 ASN HD22 H 6.9111 . . 515 164 60 ASN C C 175.4900 . . 516 164 60 ASN CA C 53.9500 . . 517 164 60 ASN CB C 38.8300 . . 518 164 60 ASN N N 118.5200 . . 519 164 60 ASN ND2 N 113.285 . . 520 165 61 GLU H H 8.3627 . . 521 165 61 GLU HA H 4.171 . . 522 165 61 GLU HB2 H 1.984 . . 523 165 61 GLU HB3 H 2.051 . . 524 165 61 GLU HG3 H 2.439 . . 525 165 61 GLU C C 176.863 . . 526 165 61 GLU CA C 57.5400 . . 527 165 61 GLU CB C 30.0100 . . 528 165 61 GLU CG C 36.3580 . . 529 165 61 GLU N N 120.7210 . . 530 166 62 ARG H H 8.2038 . . 531 166 62 ARG HA H 4.216 . . 532 166 62 ARG HB2 H 1.751 . . 533 166 62 ARG HB3 H 1.828 . . 534 166 62 ARG HG3 H 1.586 . . 535 166 62 ARG HD3 H 3.13 . . 536 166 62 ARG C C 176.6500 . . 537 166 62 ARG CA C 56.9200 . . 538 166 62 ARG CB C 30.2400 . . 539 166 62 ARG CG C 27.01 . . 540 166 62 ARG CD C 43.30 . . 541 166 62 ARG N N 120.8100 . . 542 167 63 LYS H H 8.1653 . . 543 167 63 LYS HA H 4.247 . . 544 167 63 LYS HB3 H 1.803 . . 545 167 63 LYS C C 176.97 . . 546 167 63 LYS CA C 56.9100 . . 547 167 63 LYS CB C 32.7100 . . 548 167 63 LYS N N 121.0320 . . 549 168 64 LEU H H 8.1336 . . 550 168 64 LEU HA H 4.242 . . 551 168 64 LEU HB2 H 1.648 . . 552 168 64 LEU HB3 H 1.648 . . 553 168 64 LEU C C 177.8100 . . 554 168 64 LEU CA C 56.2300 . . 555 168 64 LEU CB C 41.9200 . . 556 168 64 LEU N N 121.7350 . . 557 169 65 MET H H 8.1658 . . 558 169 65 MET HA H 4.37 . . 559 169 65 MET HB3 H 2.056 . . 560 169 65 MET C C 176.2500 . . 561 169 65 MET CA C 56.2200 . . 562 169 65 MET CB C 32.6800 . . 563 169 65 MET N N 118.8270 . . 564 170 66 ASP H H 8.1031 . . 565 170 66 ASP HA H 4.56 . . 566 170 66 ASP HB2 H 2.632 . . 567 170 66 ASP HB3 H 2.72 . . 568 170 66 ASP C C 176.46 . . 569 170 66 ASP CA C 55.0800 . . 570 170 66 ASP CB C 40.9600 . . 571 170 66 ASP N N 120.0920 . . 572 171 67 LEU H H 7.9780 . . 573 171 67 LEU HA H 4.276 . . 574 171 67 LEU HB2 H 1.587 . . 575 171 67 LEU HB3 H 1.679 . . 576 171 67 LEU HG H 1.524 . . 577 171 67 LEU HD1 H 0.797 . . 578 171 67 LEU HD2 H 0.745 . . 579 171 67 LEU C C 177.69 . . 580 171 67 LEU CA C 55.75 . . 581 171 67 LEU CB C 42.30 . . 582 171 67 LEU CG C 26.88 . . 583 171 67 LEU CD1 C 24.99 . . 584 171 67 LEU CD2 C 23.63 . . 585 171 67 LEU N N 121.4300 . . 586 172 68 VAL H H 7.9613 . . 587 172 68 VAL HA H 3.951 . . 588 172 68 VAL HB H 2.06 . . 589 172 68 VAL HG1 H 0.902 . . 590 172 68 VAL HG2 H 0.871 . . 591 172 68 VAL C C 176.1700 . . 592 172 68 VAL CA C 63.2000 . . 593 172 68 VAL CB C 32.4500 . . 594 172 68 VAL CG1 C 21.0510 . . 595 172 68 VAL N N 119.1770 . . 596 173 69 ASN H H 8.3141 . . 597 173 69 ASN HA H 4.636 . . 598 173 69 ASN HB2 H 2.479 . . 599 173 69 ASN HB3 H 2.554 . . 600 173 69 ASN HD21 H 7.6556 . . 601 173 69 ASN HD22 H 6.8381 . . 602 173 69 ASN C C 175.4100 . . 603 173 69 ASN CA C 53.4900 . . 604 173 69 ASN CB C 38.9000 . . 605 173 69 ASN N N 120.3850 . . 606 173 69 ASN ND2 N 113.269 . . 607 174 70 SER H H 8.0950 . . 608 174 70 SER HA H 4.325 . . 609 174 70 SER HB3 H 3.797 . . 610 174 70 SER C C 174.03 . . 611 174 70 SER CA C 58.8000 . . 612 174 70 SER CB C 63.7300 . . 613 174 70 SER N N 115.7100 . . 614 175 71 TRP H H 7.9902 . . 615 175 71 TRP HA H 4.790 . . 616 175 71 TRP HB2 H 3.262 . . 617 175 71 TRP HB3 H 3.378 . . 618 175 71 TRP HD1 H 7.287 . . 619 175 71 TRP HE1 H 10.127 . . 620 175 71 TRP HZ2 H 7.304 . . 621 175 71 TRP HH2 H 7.014 . . 622 175 71 TRP C C 175.66 . . 623 175 71 TRP CA C 57.2400 . . 624 175 71 TRP CB C 29.4400 . . 625 175 71 TRP CD1 C 127.15 . . 626 175 71 TRP CZ2 C 114.27 . . 627 175 71 TRP N N 122.0480 . . 628 175 71 TRP NE1 N 129.73 . . 629 176 72 ASP H H 8.1150 . . 630 176 72 ASP HA H 4.62 . . 631 176 72 ASP HB3 H 2.5 . . 632 176 72 ASP C C 175.1100 . . 633 176 72 ASP CA C 54.0800 . . 634 176 72 ASP CB C 40.6000 . . 635 176 72 ASP N N 122.5940 . . 636 177 73 TYR H H 7.0450 . . 637 177 73 TYR HA H 4.815 . . 638 177 73 TYR HB2 H 2.073 . . 639 177 73 TYR HB3 H 2.274 . . 640 177 73 TYR HD1 H 6.390 . . 641 177 73 TYR HE1 H 6.660 . . 642 177 73 TYR C C 174.95 . . 643 177 73 TYR CA C 57.2400 . . 644 177 73 TYR CB C 41.0000 . . 645 177 73 TYR CD1 C 132.67 . . 646 177 73 TYR N N 117.3000 . . 647 178 74 VAL H H 9.2825 . . 648 178 74 VAL HA H 4.66 . . 649 178 74 VAL HB H 1.901 . . 650 178 74 VAL HG1 H 0.881 . . 651 178 74 VAL HG2 H 0.836 . . 652 178 74 VAL C C 174.8800 . . 653 178 74 VAL CA C 58.7200 . . 654 178 74 VAL CB C 35.0200 . . 655 178 74 VAL CG1 C 21.21 . . 656 178 74 VAL CG2 C 20.55 . . 657 178 74 VAL N N 120.1890 . . 658 179 75 PRO HA H 5.216 . . 659 179 75 PRO HB3 H 1.962 . . 660 179 75 PRO HG3 H 2.355 . . 661 179 75 PRO HD2 H 3.902 . . 662 179 75 PRO HD3 H 3.955 . . 663 179 75 PRO C C 175.2600 . . 664 179 75 PRO CA C 62.4000 . . 665 179 75 PRO CB C 31.3000 . . 666 179 75 PRO CG C 27.38 . . 667 179 75 PRO CD C 51.23 . . 668 180 76 SER H H 9.4735 . . 669 180 76 SER HA H 5.673 . . 670 180 76 SER HB2 H 3.917 . . 671 180 76 SER HB3 H 4.068 . . 672 180 76 SER C C 172.3800 . . 673 180 76 SER CA C 57.2000 . . 674 180 76 SER CB C 67.5000 . . 675 180 76 SER N N 121.7270 . . 676 181 77 TYR H H 10.0379 . . 677 181 77 TYR HA H 5.823 . . 678 181 77 TYR HB2 H 3.037 . . 679 181 77 TYR HB3 H 3.536 . . 680 181 77 TYR HD1 H 6.920 . . 681 181 77 TYR C C 170.7200 . . 682 181 77 TYR CA C 55.7200 . . 683 181 77 TYR CB C 42.6600 . . 684 181 77 TYR CD1 C 133.52 . . 685 181 77 TYR N N 120.7910 . . 686 182 78 GLU H H 7.6878 . . 687 182 78 GLU HA H 3.771 . . 688 182 78 GLU HB2 H -0.317 . . 689 182 78 GLU HB3 H 1.202 . . 690 182 78 GLU HG2 H 0.796 . . 691 182 78 GLU HG3 H 1.28 . . 692 182 78 GLU C C 176.2200 . . 693 182 78 GLU CA C 52.8200 . . 694 182 78 GLU CB C 31.4800 . . 695 182 78 GLU CG C 35.2790 . . 696 182 78 GLU N N 123.4350 . . 697 183 79 ASN H H 8.3440 . . 698 183 79 ASN HA H 5.245 . . 699 183 79 ASN HB2 H 2.669 . . 700 183 79 ASN HB3 H 3.559 . . 701 183 79 ASN HD21 H 7.6084 . . 702 183 79 ASN HD22 H 7.5447 . . 703 183 79 ASN C C 177.7300 . . 704 183 79 ASN CA C 50.5700 . . 705 183 79 ASN CB C 39.5300 . . 706 183 79 ASN N N 125.4670 . . 707 183 79 ASN ND2 N 111.979 . . 708 184 80 LYS H H 8.1109 . . 709 184 80 LYS HA H 3.884 . . 710 184 80 LYS HB3 H 1.842 . . 711 184 80 LYS HG2 H 1.342 . . 712 184 80 LYS HG3 H 1.405 . . 713 184 80 LYS HD3 H 1.626 . . 714 184 80 LYS HE3 H 3.015 . . 715 184 80 LYS C C 176.6000 . . 716 184 80 LYS CA C 58.9900 . . 717 184 80 LYS CB C 32.0800 . . 718 184 80 LYS CG C 24.7300 . . 719 184 80 LYS CD C 29.2480 . . 720 184 80 LYS CE C 42.1510 . . 721 184 80 LYS N N 117.2740 . . 722 185 81 ASP H H 7.4152 . . 723 185 81 ASP HA H 4.665 . . 724 185 81 ASP HB2 H 2.537 . . 725 185 81 ASP HB3 H 2.821 . . 726 185 81 ASP C C 176.0300 . . 727 185 81 ASP CA C 54.6500 . . 728 185 81 ASP CB C 41.5400 . . 729 185 81 ASP N N 117.7030 . . 730 186 82 GLY H H 8.0611 . . 731 186 82 GLY HA2 H 3.86 . . 732 186 82 GLY HA3 H 4.121 . . 733 186 82 GLY C C 173.7000 . . 734 186 82 GLY CA C 45.1700 . . 735 186 82 GLY N N 107.5050 . . 736 187 83 ASN H H 7.5485 . . 737 187 83 ASN HA H 4.937 . . 738 187 83 ASN HB2 H 2.42 . . 739 187 83 ASN HB3 H 2.699 . . 740 187 83 ASN HD21 H 7.7850 . . 741 187 83 ASN HD22 H 6.9556 . . 742 187 83 ASN C C 173.7300 . . 743 187 83 ASN CA C 52.1800 . . 744 187 83 ASN CB C 40.3900 . . 745 187 83 ASN N N 118.1000 . . 746 187 83 ASN ND2 N 114.177 . . 747 188 84 TRP H H 8.5360 . . 748 188 84 TRP HA H 5.152 . . 749 188 84 TRP HB2 H 2.888 . . 750 188 84 TRP HB3 H 2.932 . . 751 188 84 TRP HD1 H 7.264 . . 752 188 84 TRP HE1 H 9.926 . . 753 188 84 TRP HZ2 H 7.279 . . 754 188 84 TRP HH2 H 6.791 . . 755 188 84 TRP C C 176.2600 . . 756 188 84 TRP CA C 56.8400 . . 757 188 84 TRP CB C 29.8200 . . 758 188 84 TRP CD1 C 127.27 . . 759 188 84 TRP CZ2 C 114.52 . . 760 188 84 TRP N N 121.7300 . . 761 188 84 TRP NE1 N 129.15 . . 762 189 85 MET H H 9.0131 . . 763 189 85 MET HA H 4.76 . . 764 189 85 MET HB3 H 2.055 . . 765 189 85 MET HG2 H 2.224 . . 766 189 85 MET HG3 H 2.452 . . 767 189 85 MET C C 175.4200 . . 768 189 85 MET CA C 53.2900 . . 769 189 85 MET CB C 35.0400 . . 770 189 85 MET CG C 32.2260 . . 771 189 85 MET N N 122.5320 . . 772 190 86 LEU H H 8.5657 . . 773 190 86 LEU HA H 4.631 . . 774 190 86 LEU HB2 H 1.494 . . 775 190 86 LEU HB3 H 1.716 . . 776 190 86 LEU HG H 1.723 . . 777 190 86 LEU HD1 H 0.953 . . 778 190 86 LEU HD2 H 0.857 . . 779 190 86 LEU C C 177.5100 . . 780 190 86 LEU CA C 55.2100 . . 781 190 86 LEU CB C 41.6700 . . 782 190 86 LEU CG C 26.7460 . . 783 190 86 LEU CD1 C 25.1950 . . 784 190 86 LEU CD2 C 23.5640 . . 785 190 86 LEU N N 121.6760 . . 786 191 87 VAL H H 7.8171 . . 787 191 87 VAL HA H 3.686 . . 788 191 87 VAL HB H 1.791 . . 789 191 87 VAL HG1 H 0.963 . . 790 191 87 VAL HG2 H 0.572 . . 791 191 87 VAL C C 176.318 . . 792 191 87 VAL CA C 64.8300 . . 793 191 87 VAL CB C 32.0900 . . 794 191 87 VAL CG1 C 23.9960 . . 795 191 87 VAL CG2 C 22.4100 . . 796 191 87 VAL N N 121.0660 . . 797 192 88 GLY H H 8.7480 . . 798 192 88 GLY HA2 H 2.202 . . 799 192 88 GLY HA3 H 4.017 . . 800 192 88 GLY C C 174.3500 . . 801 192 88 GLY CA C 43.4700 . . 802 192 88 GLY N N 114.9200 . . 803 193 89 ASP H H 8.3665 . . 804 193 89 ASP HA H 4.329 . . 805 193 89 ASP HB3 H 2.965 . . 806 193 89 ASP C C 175.6900 . . 807 193 89 ASP CA C 56.3100 . . 808 193 89 ASP CB C 40.6100 . . 809 193 89 ASP N N 121.6010 . . 810 194 90 VAL H H 7.3772 . . 811 194 90 VAL HA H 5.003 . . 812 194 90 VAL HB H 2.454 . . 813 194 90 VAL HG1 H 1.022 . . 814 194 90 VAL HG2 H 0.879 . . 815 194 90 VAL C C 174.0800 . . 816 194 90 VAL CA C 58.3500 . . 817 194 90 VAL CB C 32.9300 . . 818 194 90 VAL CG1 C 21.4770 . . 819 194 90 VAL CG2 C 17.6730 . . 820 194 90 VAL N N 112.0650 . . 821 195 91 PRO HA H 4.711 . . 822 195 91 PRO HB2 H 2.008 . . 823 195 91 PRO HB3 H 2.663 . . 824 195 91 PRO HG2 H 2.095 . . 825 195 91 PRO HG3 H 2.22 . . 826 195 91 PRO HD2 H 3.745 . . 827 195 91 PRO HD3 H 4.003 . . 828 195 91 PRO C C 176.9200 . . 829 195 91 PRO CA C 63.6600 . . 830 195 91 PRO CB C 33.2100 . . 831 195 91 PRO CG C 28.33 . . 832 195 91 PRO CD C 51.40 . . 833 196 92 TRP H H 9.4144 . . 834 196 92 TRP HA H 4.199 . . 835 196 92 TRP HB2 H 3.093 . . 836 196 92 TRP HB3 H 3.214 . . 837 196 92 TRP HD1 H 6.871 . . 838 196 92 TRP HE1 H 9.548 . . 839 196 92 TRP HZ2 H 7.636 . . 840 196 92 TRP HH2 H 6.902 . . 841 196 92 TRP C C 172.6700 . . 842 196 92 TRP CA C 61.9700 . . 843 196 92 TRP CB C 26.7900 . . 844 196 92 TRP CD1 C 126.03 . . 845 196 92 TRP CZ2 C 115.79 . . 846 196 92 TRP N N 124.1950 . . 847 196 92 TRP NE1 N 128.79 . . 848 197 93 PRO HA H 4.011 . . 849 197 93 PRO HB2 H 1.846 . . 850 197 93 PRO HB3 H 2.332 . . 851 197 93 PRO HG3 H 2.134 . . 852 197 93 PRO HD2 H 3.717 . . 853 197 93 PRO HD3 H 4.114 . . 854 197 93 PRO C C 179.2200 . . 855 197 93 PRO CA C 66.0400 . . 856 197 93 PRO CB C 30.6200 . . 857 197 93 PRO CG C 28.70 . . 858 197 93 PRO CD C 49.52 . . 859 198 94 MET H H 6.9562 . . 860 198 94 MET HA H 4.24 . . 861 198 94 MET HB2 H 2.524 . . 862 198 94 MET HB3 H 2.651 . . 863 198 94 MET C C 178.6000 . . 864 198 94 MET CA C 57.6100 . . 865 198 94 MET CB C 32.5800 . . 866 198 94 MET N N 114.8130 . . 867 199 95 PHE H H 7.8521 . . 868 199 95 PHE HA H 3.752 . . 869 199 95 PHE HB2 H 2.853 . . 870 199 95 PHE HB3 H 2.990 . . 871 199 95 PHE HD1 H 5.993 . . 872 199 95 PHE C C 176.2200 . . 873 199 95 PHE CA C 60.4400 . . 874 199 95 PHE CB C 39.4200 . . 875 199 95 PHE CD1 C 132.36 . . 876 199 95 PHE N N 124.7440 . . 877 200 96 VAL H H 7.5380 . . 878 200 96 VAL HA H 2.725 . . 879 200 96 VAL HB H 1.535 . . 880 200 96 VAL HG1 H 0.525 . . 881 200 96 VAL HG2 H 0.181 . . 882 200 96 VAL C C 176.9400 . . 883 200 96 VAL CA C 66.0100 . . 884 200 96 VAL CB C 31.0200 . . 885 200 96 VAL CG1 C 21.4740 . . 886 200 96 VAL CG2 C 22.2270 . . 887 200 96 VAL N N 117.5810 . . 888 201 97 ASP H H 6.8292 . . 889 201 97 ASP HA H 4.419 . . 890 201 97 ASP HB3 H 2.598 . . 891 201 97 ASP C C 177.1500 . . 892 201 97 ASP CA C 56.1400 . . 893 201 97 ASP CB C 42.1000 . . 894 201 97 ASP N N 114.8140 . . 895 202 98 THR H H 7.3167 . . 896 202 98 THR HA H 4.409 . . 897 202 98 THR HB H 4.285 . . 898 202 98 THR HG2 H 1.31 . . 899 202 98 THR C C 173.9500 . . 900 202 98 THR CA C 61.9100 . . 901 202 98 THR CB C 71.8700 . . 902 202 98 THR CG2 C 21.940 . . 903 202 98 THR N N 107.9560 . . 904 203 99 CYS H H 7.7409 . . 905 203 99 CYS HA H 4.061 . . 906 203 99 CYS HB2 H 1.525 . . 907 203 99 CYS HB3 H 1.925 . . 908 203 99 CYS C C 174.5700 . . 909 203 99 CYS CA C 60.4000 . . 910 203 99 CYS CB C 26.4600 . . 911 203 99 CYS N N 122.1400 . . 912 204 100 LYS H H 9.3974 . . 913 204 100 LYS HA H 4.529 . . 914 204 100 LYS HB2 H 1.477 . . 915 204 100 LYS HB3 H 1.684 . . 916 204 100 LYS HG3 H 1.326 . . 917 204 100 LYS HD3 H 1.521 . . 918 204 100 LYS HE3 H 2.926 . . 919 204 100 LYS C C 174.5000 . . 920 204 100 LYS CA C 56.4500 . . 921 204 100 LYS CB C 34.0800 . . 922 204 100 LYS CG C 24.2070 . . 923 204 100 LYS CD C 28.7690 . . 924 204 100 LYS CE C 41.8790 . . 925 204 100 LYS N N 127.0070 . . 926 205 101 ARG H H 7.6179 . . 927 205 101 ARG HA H 4.742 . . 928 205 101 ARG HB2 H 1.963 . . 929 205 101 ARG HB3 H 2.089 . . 930 205 101 ARG HG3 H 1.677 . . 931 205 101 ARG HD2 H 3.237 . . 932 205 101 ARG HD3 H 3.39 . . 933 205 101 ARG C C 173.4300 . . 934 205 101 ARG CA C 56.3300 . . 935 205 101 ARG CB C 33.6500 . . 936 205 101 ARG CG C 26.9570 . . 937 205 101 ARG CD C 43.9290 . . 938 205 101 ARG N N 116.2930 . . 939 206 102 LEU H H 8.9700 . . 940 206 102 LEU HA H 5.587 . . 941 206 102 LEU HB2 H 1.576 . . 942 206 102 LEU HB3 H 1.907 . . 943 206 102 LEU HG H 1.733 . . 944 206 102 LEU HD1 H 1.225 . . 945 206 102 LEU HD2 H 1.052 . . 946 206 102 LEU C C 175.5600 . . 947 206 102 LEU CA C 54.5900 . . 948 206 102 LEU CB C 48.2800 . . 949 206 102 LEU CG C 27.3690 . . 950 206 102 LEU CD1 C 25.1920 . . 951 206 102 LEU CD2 C 23.5170 . . 952 206 102 LEU N N 121.9380 . . 953 207 103 ARG H H 9.4930 . . 954 207 103 ARG HA H 5.171 . . 955 207 103 ARG HB3 H 1.683 . . 956 207 103 ARG HG2 H 0.98 . . 957 207 103 ARG HG3 H 1.407 . . 958 207 103 ARG HD2 H 2.216 . . 959 207 103 ARG HD3 H 2.539 . . 960 207 103 ARG C C 174.6200 . . 961 207 103 ARG CA C 54.7700 . . 962 207 103 ARG CB C 35.2300 . . 963 207 103 ARG CG C 26.7180 . . 964 207 103 ARG CD C 43.6970 . . 965 207 103 ARG N N 123.9370 . . 966 208 104 LEU H H 9.0965 . . 967 208 104 LEU HA H 4.717 . . 968 208 104 LEU C C 174.2300 . . 969 208 104 LEU CA C 54.3700 . . 970 208 104 LEU CB C 41.2100 . . 971 208 104 LEU CG C 29.5080 . . 972 208 104 LEU CD1 C 24.6620 . . 973 208 104 LEU N N 128.4580 . . 974 209 105 MET H H 8.3956 . . 975 209 105 MET HA H 4.632 . . 976 209 105 MET HB3 H 1.952 . . 977 209 105 MET HG3 H 2.368 . . 978 209 105 MET C C 175.3200 . . 979 209 105 MET CA C 54.0900 . . 980 209 105 MET CB C 35.8000 . . 981 209 105 MET CG C 30.9680 . . 982 209 105 MET N N 123.1410 . . 983 210 106 LYS H H 9.0293 . . 984 210 106 LYS HA H 3.922 . . 985 210 106 LYS HB2 H 1.522 . . 986 210 106 LYS HB3 H 1.683 . . 987 210 106 LYS HG2 H 1.383 . . 988 210 106 LYS HG3 H 1.434 . . 989 210 106 LYS HD3 H 1.427 . . 990 210 106 LYS HE2 H 2.793 . . 991 210 106 LYS HE3 H 2.796 . . 992 210 106 LYS C C 177.6800 . . 993 210 106 LYS CA C 56.7100 . . 994 210 106 LYS CB C 32.7500 . . 995 210 106 LYS CG C 24.9870 . . 996 210 106 LYS CD C 28.9210 . . 997 210 106 LYS CE C 42.0690 . . 998 210 106 LYS N N 123.8920 . . 999 211 107 GLY H H 8.2765 . . 1000 211 107 GLY HA2 H 3.744 . . 1001 211 107 GLY HA3 H 3.858 . . 1002 211 107 GLY C C 174.6500 . . 1003 211 107 GLY CA C 46.4500 . . 1004 211 107 GLY N N 112.1790 . . 1005 212 108 SER H H 8.1599 . . 1006 212 108 SER HA H 4.259 . . 1007 212 108 SER HB2 H 3.746 . . 1008 212 108 SER HB3 H 3.873 . . 1009 212 108 SER C C 174.8100 . . 1010 212 108 SER CA C 58.9900 . . 1011 212 108 SER CB C 63.3900 . . 1012 212 108 SER N N 114.0480 . . 1013 213 109 ASP H H 7.9793 . . 1014 213 109 ASP HA H 4.593 . . 1015 213 109 ASP HB3 H 2.617 . . 1016 213 109 ASP C C 176.15 . . 1017 213 109 ASP CA C 54.7500 . . 1018 213 109 ASP CB C 41.2300 . . 1019 213 109 ASP N N 121.4570 . . 1020 214 110 ALA H H 7.9038 . . 1021 214 110 ALA HA H 4.261 . . 1022 214 110 ALA HB H 1.322 . . 1023 214 110 ALA C C 177.4200 . . 1024 214 110 ALA CA C 52.6300 . . 1025 214 110 ALA CB C 19.2100 . . 1026 214 110 ALA N N 123.3380 . . 1027 215 111 ILE H H 7.7089 . . 1028 215 111 ILE HA H 4.057 . . 1029 215 111 ILE HB H 1.84 . . 1030 215 111 ILE HG12 H 1.162 . . 1031 215 111 ILE HG13 H 1.454 . . 1032 215 111 ILE HG2 H 0.88 . . 1033 215 111 ILE HD1 H 0.827 . . 1034 215 111 ILE C C 176.5500 . . 1035 215 111 ILE CA C 61.6500 . . 1036 215 111 ILE CB C 38.5100 . . 1037 215 111 ILE CG1 C 27.4180 . . 1038 215 111 ILE CG2 C 17.4200 . . 1039 215 111 ILE CD1 C 13.0230 . . 1040 215 111 ILE N N 118.5930 . . 1041 216 112 GLY H H 8.2972 . . 1042 216 112 GLY HA3 H 3.878 . . 1043 216 112 GLY C C 173.2800 . . 1044 216 112 GLY CA C 45.3300 . . 1045 216 112 GLY N N 112.4450 . . 1046 217 113 LEU H H 7.5473 . . 1047 217 113 LEU HA H 4.138 . . 1048 217 113 LEU HB3 H 1.557 . . 1049 217 113 LEU HD1 H 0.916 . . 1050 217 113 LEU C C 182.4100 . . 1051 217 113 LEU CA C 56.6500 . . 1052 217 113 LEU CB C 43.2300 . . 1053 217 113 LEU CG C 27.1520 . . 1054 217 113 LEU CD1 C 25.2950 . . 1055 217 113 LEU CD2 C 23.5120 . . 1056 217 113 LEU N N 127.1350 . . stop_ save_