data_11196 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third SH3 domain from human KIAA1666 protein ; _BMRB_accession_number 11196 _BMRB_flat_file_name bmr11196.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 293 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third SH3 domain from human KIAA1666 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inoue K. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Uncharacterized protein KIAA1666' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GSSGSSGKIMIAALDYDPGD GQMGGQGKGRLALRAGDVVM VYGPMDDQGFYYGELGGHRG LVPAHLLDHMSLHGH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ILE 10 MET 11 ILE 12 ALA 13 ALA 14 LEU 15 ASP 16 TYR 17 ASP 18 PRO 19 GLY 20 ASP 21 GLY 22 GLN 23 MET 24 GLY 25 GLY 26 GLN 27 GLY 28 LYS 29 GLY 30 ARG 31 LEU 32 ALA 33 LEU 34 ARG 35 ALA 36 GLY 37 ASP 38 VAL 39 VAL 40 MET 41 VAL 42 TYR 43 GLY 44 PRO 45 MET 46 ASP 47 ASP 48 GLN 49 GLY 50 PHE 51 TYR 52 TYR 53 GLY 54 GLU 55 LEU 56 GLY 57 GLY 58 HIS 59 ARG 60 GLY 61 LEU 62 VAL 63 PRO 64 ALA 65 HIS 66 LEU 67 LEU 68 ASP 69 HIS 70 MET 71 SER 72 LEU 73 HIS 74 GLY 75 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EGE "Solution Structure Of The Third Sh3 Domain From Human Kiaa1666 Protein" 100.00 75 100.00 100.00 3.97e-43 EMBL CAB55970 "hypothetical protein [Homo sapiens]" 93.33 286 97.14 98.57 6.11e-39 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_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060227-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.01mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.01 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060324 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9807 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain' _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 6 6 SER HA H 4.615 0.030 1 2 6 6 SER HB2 H 3.975 0.030 1 3 6 6 SER HB3 H 3.975 0.030 1 4 6 6 SER C C 174.611 0.300 1 5 6 6 SER CA C 58.453 0.300 1 6 6 6 SER CB C 63.956 0.300 1 7 7 7 GLY H H 8.392 0.030 1 8 7 7 GLY HA2 H 3.331 0.030 2 9 7 7 GLY HA3 H 4.098 0.030 2 10 7 7 GLY C C 172.933 0.300 1 11 7 7 GLY CA C 45.179 0.300 1 12 7 7 GLY N N 110.962 0.300 1 13 8 8 LYS H H 8.571 0.030 1 14 8 8 LYS HA H 4.563 0.030 1 15 8 8 LYS HB2 H 1.530 0.030 2 16 8 8 LYS HB3 H 1.636 0.030 2 17 8 8 LYS HD2 H 1.581 0.030 1 18 8 8 LYS HD3 H 1.581 0.030 1 19 8 8 LYS HE2 H 2.889 0.030 1 20 8 8 LYS HE3 H 2.889 0.030 1 21 8 8 LYS HG2 H 1.281 0.030 1 22 8 8 LYS HG3 H 1.281 0.030 1 23 8 8 LYS C C 174.661 0.300 1 24 8 8 LYS CA C 54.663 0.300 1 25 8 8 LYS CB C 35.056 0.300 1 26 8 8 LYS CD C 29.226 0.300 1 27 8 8 LYS CE C 42.079 0.300 1 28 8 8 LYS CG C 24.459 0.300 1 29 8 8 LYS N N 122.375 0.300 1 30 9 9 ILE H H 8.293 0.030 1 31 9 9 ILE HA H 4.460 0.030 1 32 9 9 ILE HB H 1.697 0.030 1 33 9 9 ILE HD1 H 0.794 0.030 1 34 9 9 ILE HG12 H 1.037 0.030 2 35 9 9 ILE HG13 H 1.544 0.030 2 36 9 9 ILE HG2 H 0.806 0.030 1 37 9 9 ILE C C 175.654 0.300 1 38 9 9 ILE CA C 61.370 0.300 1 39 9 9 ILE CB C 38.275 0.300 1 40 9 9 ILE CD1 C 12.960 0.300 1 41 9 9 ILE CG1 C 27.852 0.300 1 42 9 9 ILE CG2 C 18.525 0.300 1 43 9 9 ILE N N 123.561 0.300 1 44 10 10 MET H H 9.020 0.030 1 45 10 10 MET HA H 4.857 0.030 1 46 10 10 MET HB2 H 1.482 0.030 2 47 10 10 MET HB3 H 1.879 0.030 2 48 10 10 MET HE H 1.381 0.030 1 49 10 10 MET HG2 H 2.035 0.030 2 50 10 10 MET HG3 H 2.178 0.030 2 51 10 10 MET C C 172.995 0.300 1 52 10 10 MET CA C 53.980 0.300 1 53 10 10 MET CB C 37.862 0.300 1 54 10 10 MET CE C 17.520 0.300 1 55 10 10 MET CG C 33.639 0.300 1 56 10 10 MET N N 126.074 0.300 1 57 11 11 ILE H H 8.809 0.030 1 58 11 11 ILE HA H 5.137 0.030 1 59 11 11 ILE HB H 1.631 0.030 1 60 11 11 ILE HD1 H 0.774 0.030 1 61 11 11 ILE HG12 H 1.358 0.030 2 62 11 11 ILE HG13 H 1.039 0.030 2 63 11 11 ILE HG2 H 0.740 0.030 1 64 11 11 ILE C C 176.224 0.300 1 65 11 11 ILE CA C 58.159 0.300 1 66 11 11 ILE CB C 40.852 0.300 1 67 11 11 ILE CD1 C 13.135 0.300 1 68 11 11 ILE CG1 C 27.975 0.300 1 69 11 11 ILE CG2 C 16.726 0.300 1 70 11 11 ILE N N 118.667 0.300 1 71 12 12 ALA H H 9.112 0.030 1 72 12 12 ALA HA H 4.551 0.030 1 73 12 12 ALA HB H 1.455 0.030 1 74 12 12 ALA C C 178.173 0.300 1 75 12 12 ALA CA C 52.338 0.300 1 76 12 12 ALA CB C 19.507 0.300 1 77 12 12 ALA N N 129.126 0.300 1 78 13 13 ALA H H 9.445 0.030 1 79 13 13 ALA HA H 4.260 0.030 1 80 13 13 ALA HB H 1.333 0.030 1 81 13 13 ALA C C 176.698 0.300 1 82 13 13 ALA CA C 53.351 0.300 1 83 13 13 ALA CB C 20.108 0.300 1 84 13 13 ALA N N 129.181 0.300 1 85 14 14 LEU H H 7.185 0.030 1 86 14 14 LEU HA H 4.516 0.030 1 87 14 14 LEU HB2 H 1.453 0.030 2 88 14 14 LEU HB3 H 1.756 0.030 2 89 14 14 LEU HD1 H 0.943 0.030 1 90 14 14 LEU HD2 H 0.994 0.030 1 91 14 14 LEU HG H 1.617 0.030 1 92 14 14 LEU C C 173.802 0.300 1 93 14 14 LEU CA C 53.038 0.300 1 94 14 14 LEU CB C 47.635 0.300 1 95 14 14 LEU CD1 C 25.488 0.300 2 96 14 14 LEU CD2 C 24.390 0.300 2 97 14 14 LEU CG C 26.982 0.300 1 98 14 14 LEU N N 115.232 0.300 1 99 15 15 ASP H H 7.871 0.030 1 100 15 15 ASP HA H 4.461 0.030 1 101 15 15 ASP HB2 H 2.565 0.030 2 102 15 15 ASP HB3 H 2.725 0.030 2 103 15 15 ASP C C 175.908 0.300 1 104 15 15 ASP CA C 54.308 0.300 1 105 15 15 ASP CB C 41.542 0.300 1 106 15 15 ASP N N 116.288 0.300 1 107 16 16 TYR H H 8.940 0.030 1 108 16 16 TYR HA H 4.713 0.030 1 109 16 16 TYR HB2 H 3.000 0.030 2 110 16 16 TYR HB3 H 2.579 0.030 2 111 16 16 TYR HD1 H 7.302 0.030 1 112 16 16 TYR HD2 H 7.302 0.030 1 113 16 16 TYR HE1 H 6.876 0.030 1 114 16 16 TYR HE2 H 6.876 0.030 1 115 16 16 TYR C C 172.819 0.300 1 116 16 16 TYR CA C 57.537 0.300 1 117 16 16 TYR CB C 42.319 0.300 1 118 16 16 TYR CD1 C 133.527 0.300 1 119 16 16 TYR CD2 C 133.527 0.300 1 120 16 16 TYR CE1 C 118.000 0.300 1 121 16 16 TYR CE2 C 118.000 0.300 1 122 16 16 TYR N N 120.767 0.300 1 123 17 17 ASP H H 8.293 0.030 1 124 17 17 ASP HA H 4.988 0.030 1 125 17 17 ASP HB2 H 2.441 0.030 2 126 17 17 ASP HB3 H 2.668 0.030 2 127 17 17 ASP C C 173.957 0.300 1 128 17 17 ASP CA C 49.705 0.300 1 129 17 17 ASP CB C 42.293 0.300 1 130 17 17 ASP N N 127.527 0.300 1 131 18 18 PRO HA H 4.070 0.030 1 132 18 18 PRO HB2 H 1.941 0.030 2 133 18 18 PRO HB3 H 2.115 0.030 2 134 18 18 PRO HD2 H 3.760 0.030 2 135 18 18 PRO HD3 H 3.110 0.030 2 136 18 18 PRO HG2 H 1.839 0.030 2 137 18 18 PRO HG3 H 1.675 0.030 2 138 18 18 PRO C C 177.139 0.300 1 139 18 18 PRO CA C 62.968 0.300 1 140 18 18 PRO CB C 32.311 0.300 1 141 18 18 PRO CD C 50.139 0.300 1 142 18 18 PRO CG C 26.070 0.300 1 143 19 19 GLY H H 8.232 0.030 1 144 19 19 GLY HA2 H 3.798 0.030 2 145 19 19 GLY HA3 H 3.933 0.030 2 146 19 19 GLY C C 174.214 0.300 1 147 19 19 GLY CA C 45.253 0.300 1 148 19 19 GLY N N 108.053 0.300 1 149 20 20 ASP H H 8.112 0.030 1 150 20 20 ASP HA H 4.556 0.030 1 151 20 20 ASP HB2 H 2.707 0.030 1 152 20 20 ASP HB3 H 2.707 0.030 1 153 20 20 ASP C C 177.329 0.300 1 154 20 20 ASP CA C 54.532 0.300 1 155 20 20 ASP CB C 41.231 0.300 1 156 20 20 ASP N N 120.377 0.300 1 157 21 21 GLY H H 8.510 0.030 1 158 21 21 GLY HA2 H 3.940 0.030 1 159 21 21 GLY HA3 H 3.940 0.030 1 160 21 21 GLY C C 174.802 0.300 1 161 21 21 GLY CA C 45.761 0.300 1 162 21 21 GLY N N 109.478 0.300 1 163 22 22 GLN H H 8.277 0.030 1 164 22 22 GLN HA H 4.345 0.030 1 165 22 22 GLN HB2 H 2.016 0.030 2 166 22 22 GLN HB3 H 2.166 0.030 2 167 22 22 GLN HE21 H 6.858 0.030 2 168 22 22 GLN HE22 H 7.586 0.030 2 169 22 22 GLN HG2 H 2.331 0.030 2 170 22 22 GLN HG3 H 2.367 0.030 2 171 22 22 GLN C C 176.493 0.300 1 172 22 22 GLN CA C 56.159 0.300 1 173 22 22 GLN CB C 29.166 0.300 1 174 22 22 GLN CG C 33.848 0.300 1 175 22 22 GLN N N 119.246 0.300 1 176 22 22 GLN NE2 N 112.623 0.300 1 177 23 23 MET H H 8.433 0.030 1 178 23 23 MET HA H 4.503 0.030 1 179 23 23 MET HB2 H 2.052 0.030 2 180 23 23 MET HB3 H 2.146 0.030 2 181 23 23 MET HE H 2.085 0.030 1 182 23 23 MET HG2 H 2.543 0.030 2 183 23 23 MET HG3 H 2.630 0.030 2 184 23 23 MET C C 176.925 0.300 1 185 23 23 MET CA C 55.668 0.300 1 186 23 23 MET CB C 32.402 0.300 1 187 23 23 MET CE C 16.958 0.300 1 188 23 23 MET CG C 32.181 0.300 1 189 23 23 MET N N 120.095 0.300 1 190 24 24 GLY H H 8.434 0.030 1 191 24 24 GLY HA2 H 3.995 0.030 1 192 24 24 GLY HA3 H 3.995 0.030 1 193 24 24 GLY C C 174.933 0.300 1 194 24 24 GLY CA C 45.550 0.300 1 195 24 24 GLY N N 109.887 0.300 1 196 25 25 GLY H H 8.312 0.030 1 197 25 25 GLY HA2 H 3.978 0.030 1 198 25 25 GLY HA3 H 3.978 0.030 1 199 25 25 GLY C C 174.600 0.300 1 200 25 25 GLY CA C 45.436 0.300 1 201 25 25 GLY N N 108.738 0.300 1 202 26 26 GLN H H 8.396 0.030 1 203 26 26 GLN HA H 4.331 0.030 1 204 26 26 GLN HB2 H 2.009 0.030 2 205 26 26 GLN HB3 H 2.168 0.030 2 206 26 26 GLN HE21 H 7.536 0.030 2 207 26 26 GLN HE22 H 6.864 0.030 2 208 26 26 GLN HG2 H 2.378 0.030 1 209 26 26 GLN HG3 H 2.378 0.030 1 210 26 26 GLN C C 176.607 0.300 1 211 26 26 GLN CA C 56.227 0.300 1 212 26 26 GLN CB C 28.994 0.300 1 213 26 26 GLN CG C 33.877 0.300 1 214 26 26 GLN N N 119.535 0.300 1 215 26 26 GLN NE2 N 112.383 0.300 1 216 27 27 GLY H H 8.495 0.030 1 217 27 27 GLY HA2 H 3.912 0.030 1 218 27 27 GLY HA3 H 3.912 0.030 1 219 27 27 GLY C C 174.313 0.300 1 220 27 27 GLY CA C 45.751 0.300 1 221 28 28 LYS H H 8.014 0.030 1 222 28 28 LYS HA H 4.350 0.030 1 223 28 28 LYS HB2 H 1.716 0.030 2 224 28 28 LYS HB3 H 1.867 0.030 2 225 28 28 LYS HD2 H 1.630 0.030 1 226 28 28 LYS HD3 H 1.630 0.030 1 227 28 28 LYS HE2 H 2.941 0.030 1 228 28 28 LYS HE3 H 2.941 0.030 1 229 28 28 LYS HG2 H 1.365 0.030 2 230 28 28 LYS HG3 H 1.446 0.030 2 231 28 28 LYS C C 177.084 0.300 1 232 28 28 LYS CA C 56.292 0.300 1 233 28 28 LYS CB C 32.929 0.300 1 234 28 28 LYS CD C 29.031 0.300 1 235 28 28 LYS CE C 42.136 0.300 1 236 28 28 LYS CG C 24.908 0.300 1 237 28 28 LYS N N 119.990 0.300 1 238 29 29 GLY H H 8.585 0.030 1 239 29 29 GLY HA2 H 4.039 0.030 1 240 29 29 GLY HA3 H 4.039 0.030 1 241 29 29 GLY C C 174.188 0.300 1 242 29 29 GLY CA C 45.499 0.300 1 243 29 29 GLY N N 109.510 0.300 1 244 30 30 ARG H H 8.254 0.030 1 245 30 30 ARG HA H 5.032 0.030 1 246 30 30 ARG HB2 H 1.765 0.030 2 247 30 30 ARG HB3 H 2.040 0.030 2 248 30 30 ARG HD2 H 3.136 0.030 2 249 30 30 ARG HD3 H 3.200 0.030 2 250 30 30 ARG HE H 7.236 0.030 1 251 30 30 ARG HG2 H 1.504 0.030 2 252 30 30 ARG HG3 H 1.604 0.030 2 253 30 30 ARG C C 175.785 0.300 1 254 30 30 ARG CA C 55.055 0.300 1 255 30 30 ARG CB C 32.360 0.300 1 256 30 30 ARG CD C 43.325 0.300 1 257 30 30 ARG CG C 27.742 0.300 1 258 30 30 ARG N N 120.185 0.300 1 259 30 30 ARG NE N 85.560 0.300 1 260 31 31 LEU H H 8.201 0.030 1 261 31 31 LEU HA H 4.368 0.030 1 262 31 31 LEU HB2 H 1.402 0.030 2 263 31 31 LEU HB3 H 1.260 0.030 2 264 31 31 LEU HD1 H 0.643 0.030 1 265 31 31 LEU HD2 H 0.639 0.030 1 266 31 31 LEU HG H 1.274 0.030 1 267 31 31 LEU C C 174.442 0.300 1 268 31 31 LEU CA C 53.989 0.300 1 269 31 31 LEU CB C 43.488 0.300 1 270 31 31 LEU CD1 C 24.856 0.300 2 271 31 31 LEU CD2 C 23.275 0.300 2 272 31 31 LEU CG C 26.562 0.300 1 273 31 31 LEU N N 123.114 0.300 1 274 32 32 ALA H H 7.767 0.030 1 275 32 32 ALA HA H 4.550 0.030 1 276 32 32 ALA HB H 1.379 0.030 1 277 32 32 ALA C C 177.391 0.300 1 278 32 32 ALA CA C 51.541 0.300 1 279 32 32 ALA CB C 19.585 0.300 1 280 32 32 ALA N N 122.265 0.300 1 281 33 33 LEU H H 8.921 0.030 1 282 33 33 LEU HA H 4.863 0.030 1 283 33 33 LEU HB2 H 1.795 0.030 2 284 33 33 LEU HB3 H 1.378 0.030 2 285 33 33 LEU HD1 H 0.805 0.030 1 286 33 33 LEU HD2 H 0.837 0.030 1 287 33 33 LEU HG H 1.852 0.030 1 288 33 33 LEU C C 176.759 0.300 1 289 33 33 LEU CA C 53.656 0.300 1 290 33 33 LEU CB C 46.639 0.300 1 291 33 33 LEU CD1 C 26.284 0.300 2 292 33 33 LEU CD2 C 24.900 0.300 2 293 33 33 LEU CG C 26.286 0.300 1 294 33 33 LEU N N 118.126 0.300 1 295 34 34 ARG H H 9.121 0.030 1 296 34 34 ARG HA H 4.872 0.030 1 297 34 34 ARG HB2 H 1.716 0.030 1 298 34 34 ARG HB3 H 1.716 0.030 1 299 34 34 ARG HD2 H 3.193 0.030 1 300 34 34 ARG HD3 H 3.193 0.030 1 301 34 34 ARG HG2 H 1.584 0.030 2 302 34 34 ARG HG3 H 1.677 0.030 2 303 34 34 ARG C C 175.505 0.300 1 304 34 34 ARG CA C 53.113 0.300 1 305 34 34 ARG CB C 31.425 0.300 1 306 34 34 ARG CD C 42.969 0.300 1 307 34 34 ARG CG C 26.730 0.300 1 308 34 34 ARG N N 124.059 0.300 1 309 35 35 ALA H H 8.843 0.030 1 310 35 35 ALA HA H 3.394 0.030 1 311 35 35 ALA HB H 1.161 0.030 1 312 35 35 ALA C C 178.716 0.300 1 313 35 35 ALA CA C 53.747 0.300 1 314 35 35 ALA CB C 17.682 0.300 1 315 35 35 ALA N N 124.176 0.300 1 316 36 36 GLY H H 9.122 0.030 1 317 36 36 GLY HA2 H 4.396 0.030 2 318 36 36 GLY HA3 H 3.419 0.030 2 319 36 36 GLY C C 174.433 0.300 1 320 36 36 GLY CA C 44.628 0.300 1 321 36 36 GLY N N 112.572 0.300 1 322 37 37 ASP H H 8.546 0.030 1 323 37 37 ASP HA H 4.510 0.030 1 324 37 37 ASP HB2 H 2.397 0.030 2 325 37 37 ASP HB3 H 2.724 0.030 2 326 37 37 ASP C C 175.056 0.300 1 327 37 37 ASP CA C 55.819 0.300 1 328 37 37 ASP CB C 41.916 0.300 1 329 37 37 ASP N N 122.485 0.300 1 330 38 38 VAL H H 8.102 0.030 1 331 38 38 VAL HA H 4.416 0.030 1 332 38 38 VAL HB H 1.952 0.030 1 333 38 38 VAL HG1 H 0.865 0.030 1 334 38 38 VAL HG2 H 0.973 0.030 1 335 38 38 VAL C C 175.258 0.300 1 336 38 38 VAL CA C 62.277 0.300 1 337 38 38 VAL CB C 32.026 0.300 1 338 38 38 VAL CG1 C 21.875 0.300 2 339 38 38 VAL CG2 C 21.105 0.300 2 340 38 38 VAL N N 121.588 0.300 1 341 39 39 VAL H H 9.025 0.030 1 342 39 39 VAL HA H 4.319 0.030 1 343 39 39 VAL HB H 1.663 0.030 1 344 39 39 VAL HG1 H 0.750 0.030 1 345 39 39 VAL HG2 H 0.662 0.030 1 346 39 39 VAL C C 173.960 0.300 1 347 39 39 VAL CA C 60.254 0.300 1 348 39 39 VAL CB C 35.068 0.300 1 349 39 39 VAL CG1 C 21.992 0.300 2 350 39 39 VAL CG2 C 21.507 0.300 2 351 39 39 VAL N N 127.862 0.300 1 352 40 40 MET H H 8.030 0.030 1 353 40 40 MET HA H 4.935 0.030 1 354 40 40 MET HB2 H 1.823 0.030 2 355 40 40 MET HB3 H 1.915 0.030 2 356 40 40 MET HE H 1.903 0.030 1 357 40 40 MET HG2 H 2.052 0.030 2 358 40 40 MET HG3 H 2.352 0.030 2 359 40 40 MET C C 175.074 0.300 1 360 40 40 MET CA C 53.469 0.300 1 361 40 40 MET CB C 33.073 0.300 1 362 40 40 MET CE C 16.693 0.300 1 363 40 40 MET CG C 31.925 0.300 1 364 40 40 MET N N 125.026 0.300 1 365 41 41 VAL H H 8.783 0.030 1 366 41 41 VAL HA H 4.809 0.030 1 367 41 41 VAL HB H 1.629 0.030 1 368 41 41 VAL HG1 H 0.349 0.030 1 369 41 41 VAL HG2 H 0.350 0.030 1 370 41 41 VAL C C 175.679 0.300 1 371 41 41 VAL CA C 60.262 0.300 1 372 41 41 VAL CB C 33.766 0.300 1 373 41 41 VAL CG1 C 21.311 0.300 2 374 41 41 VAL CG2 C 20.001 0.300 2 375 41 41 VAL N N 120.984 0.300 1 376 42 42 TYR H H 8.637 0.030 1 377 42 42 TYR HA H 4.887 0.030 1 378 42 42 TYR HB2 H 2.879 0.030 2 379 42 42 TYR HB3 H 3.095 0.030 2 380 42 42 TYR HD1 H 6.979 0.030 1 381 42 42 TYR HD2 H 6.979 0.030 1 382 42 42 TYR HE1 H 6.599 0.030 1 383 42 42 TYR HE2 H 6.599 0.030 1 384 42 42 TYR C C 176.425 0.300 1 385 42 42 TYR CA C 57.158 0.300 1 386 42 42 TYR CB C 40.364 0.300 1 387 42 42 TYR CD1 C 132.950 0.300 1 388 42 42 TYR CD2 C 132.950 0.300 1 389 42 42 TYR CE1 C 117.619 0.300 1 390 42 42 TYR CE2 C 117.619 0.300 1 391 42 42 TYR N N 122.783 0.300 1 392 43 43 GLY H H 8.491 0.030 1 393 43 43 GLY HA2 H 4.065 0.030 2 394 43 43 GLY HA3 H 4.405 0.030 2 395 43 43 GLY C C 170.938 0.300 1 396 43 43 GLY CA C 44.856 0.300 1 397 43 43 GLY N N 112.005 0.300 1 398 44 44 PRO HA H 4.839 0.030 1 399 44 44 PRO HB2 H 2.073 0.030 2 400 44 44 PRO HB3 H 2.329 0.030 2 401 44 44 PRO HD2 H 3.600 0.030 2 402 44 44 PRO HD3 H 3.688 0.030 2 403 44 44 PRO HG2 H 1.953 0.030 2 404 44 44 PRO HG3 H 2.074 0.030 2 405 44 44 PRO C C 177.472 0.300 1 406 44 44 PRO CA C 62.036 0.300 1 407 44 44 PRO CB C 32.759 0.300 1 408 44 44 PRO CD C 49.292 0.300 1 409 44 44 PRO CG C 26.620 0.300 1 410 45 45 MET H H 8.566 0.030 1 411 45 45 MET HA H 3.944 0.030 1 412 45 45 MET HB2 H 1.370 0.030 2 413 45 45 MET HB3 H 1.470 0.030 2 414 45 45 MET HE H 1.946 0.030 1 415 45 45 MET HG2 H 1.792 0.030 2 416 45 45 MET HG3 H 2.409 0.030 2 417 45 45 MET C C 175.907 0.300 1 418 45 45 MET CA C 56.091 0.300 1 419 45 45 MET CB C 33.272 0.300 1 420 45 45 MET CE C 16.360 0.300 1 421 45 45 MET CG C 30.057 0.300 1 422 45 45 MET N N 121.757 0.300 1 423 46 46 ASP H H 9.023 0.030 1 424 46 46 ASP HA H 4.646 0.030 1 425 46 46 ASP HB2 H 2.875 0.030 2 426 46 46 ASP HB3 H 3.335 0.030 2 427 46 46 ASP C C 178.014 0.300 1 428 46 46 ASP CA C 52.897 0.300 1 429 46 46 ASP CB C 41.217 0.300 1 430 46 46 ASP N N 125.026 0.300 1 431 47 47 ASP H H 8.392 0.030 1 432 47 47 ASP HA H 4.398 0.030 1 433 47 47 ASP HB2 H 2.756 0.030 1 434 47 47 ASP HB3 H 2.756 0.030 1 435 47 47 ASP C C 177.075 0.300 1 436 47 47 ASP CA C 56.013 0.300 1 437 47 47 ASP CB C 40.190 0.300 1 438 47 47 ASP N N 115.937 0.300 1 439 48 48 GLN H H 8.459 0.030 1 440 48 48 GLN HA H 4.478 0.030 1 441 48 48 GLN HB2 H 2.339 0.030 2 442 48 48 GLN HB3 H 2.527 0.030 2 443 48 48 GLN HE21 H 6.821 0.030 2 444 48 48 GLN HE22 H 7.644 0.030 2 445 48 48 GLN HG2 H 2.407 0.030 1 446 48 48 GLN HG3 H 2.407 0.030 1 447 48 48 GLN C C 175.671 0.300 1 448 48 48 GLN CA C 55.407 0.300 1 449 48 48 GLN CB C 29.689 0.300 1 450 48 48 GLN CG C 34.845 0.300 1 451 48 48 GLN N N 118.087 0.300 1 452 48 48 GLN NE2 N 112.993 0.300 1 453 49 49 GLY H H 8.029 0.030 1 454 49 49 GLY HA2 H 3.766 0.030 2 455 49 49 GLY HA3 H 4.038 0.030 2 456 49 49 GLY C C 174.048 0.300 1 457 49 49 GLY CA C 45.688 0.300 1 458 49 49 GLY N N 107.217 0.300 1 459 50 50 PHE H H 8.983 0.030 1 460 50 50 PHE HA H 4.971 0.030 1 461 50 50 PHE HB2 H 3.514 0.030 2 462 50 50 PHE HB3 H 2.740 0.030 2 463 50 50 PHE HD1 H 6.997 0.030 1 464 50 50 PHE HD2 H 6.997 0.030 1 465 50 50 PHE HE1 H 7.253 0.030 1 466 50 50 PHE HE2 H 7.253 0.030 1 467 50 50 PHE HZ H 7.316 0.030 1 468 50 50 PHE C C 176.390 0.300 1 469 50 50 PHE CA C 57.387 0.300 1 470 50 50 PHE CB C 41.240 0.300 1 471 50 50 PHE CD1 C 131.901 0.300 1 472 50 50 PHE CD2 C 131.901 0.300 1 473 50 50 PHE CE1 C 130.618 0.300 1 474 50 50 PHE CE2 C 130.618 0.300 1 475 50 50 PHE CZ C 129.488 0.300 1 476 50 50 PHE N N 120.640 0.300 1 477 51 51 TYR H H 9.179 0.030 1 478 51 51 TYR HA H 4.971 0.030 1 479 51 51 TYR HB2 H 2.401 0.030 2 480 51 51 TYR HB3 H 3.012 0.030 2 481 51 51 TYR HD1 H 6.955 0.030 1 482 51 51 TYR HD2 H 6.955 0.030 1 483 51 51 TYR HE1 H 6.790 0.030 1 484 51 51 TYR HE2 H 6.790 0.030 1 485 51 51 TYR C C 175.528 0.300 1 486 51 51 TYR CA C 56.799 0.300 1 487 51 51 TYR CB C 42.206 0.300 1 488 51 51 TYR CD1 C 132.726 0.300 1 489 51 51 TYR CD2 C 132.726 0.300 1 490 51 51 TYR CE1 C 118.127 0.300 1 491 51 51 TYR CE2 C 118.127 0.300 1 492 51 51 TYR N N 118.337 0.300 1 493 52 52 TYR H H 9.140 0.030 1 494 52 52 TYR HA H 4.916 0.030 1 495 52 52 TYR HB2 H 3.011 0.030 2 496 52 52 TYR HB3 H 3.183 0.030 2 497 52 52 TYR HD1 H 7.107 0.030 1 498 52 52 TYR HD2 H 7.107 0.030 1 499 52 52 TYR HE1 H 6.710 0.030 1 500 52 52 TYR HE2 H 6.710 0.030 1 501 52 52 TYR C C 174.504 0.300 1 502 52 52 TYR CA C 57.975 0.300 1 503 52 52 TYR CB C 38.784 0.300 1 504 52 52 TYR CD1 C 132.810 0.300 1 505 52 52 TYR CD2 C 132.810 0.300 1 506 52 52 TYR CE1 C 117.740 0.300 1 507 52 52 TYR CE2 C 117.740 0.300 1 508 52 52 TYR N N 122.650 0.300 1 509 53 53 GLY H H 8.811 0.030 1 510 53 53 GLY HA2 H 3.280 0.030 2 511 53 53 GLY HA3 H 5.158 0.030 2 512 53 53 GLY C C 170.950 0.300 1 513 53 53 GLY CA C 44.932 0.300 1 514 53 53 GLY N N 113.825 0.300 1 515 54 54 GLU H H 8.783 0.030 1 516 54 54 GLU HA H 5.272 0.030 1 517 54 54 GLU HB2 H 1.934 0.030 2 518 54 54 GLU HB3 H 2.051 0.030 2 519 54 54 GLU HG2 H 2.117 0.030 1 520 54 54 GLU HG3 H 2.117 0.030 1 521 54 54 GLU C C 174.793 0.300 1 522 54 54 GLU CA C 54.528 0.300 1 523 54 54 GLU CB C 34.399 0.300 1 524 54 54 GLU CG C 36.457 0.300 1 525 54 54 GLU N N 116.958 0.300 1 526 55 55 LEU H H 8.756 0.030 1 527 55 55 LEU HA H 4.745 0.030 1 528 55 55 LEU HB2 H 1.449 0.030 2 529 55 55 LEU HB3 H 1.839 0.030 2 530 55 55 LEU HD1 H 0.968 0.030 1 531 55 55 LEU HD2 H 0.946 0.030 1 532 55 55 LEU HG H 1.575 0.030 1 533 55 55 LEU C C 177.169 0.300 1 534 55 55 LEU CA C 54.911 0.300 1 535 55 55 LEU CB C 45.805 0.300 1 536 55 55 LEU CD1 C 24.883 0.300 2 537 55 55 LEU CD2 C 26.292 0.300 2 538 55 55 LEU CG C 27.706 0.300 1 539 55 55 LEU N N 127.387 0.300 1 540 56 56 GLY H H 9.415 0.030 1 541 56 56 GLY HA2 H 3.917 0.030 1 542 56 56 GLY HA3 H 3.917 0.030 1 543 56 56 GLY C C 175.226 0.300 1 544 56 56 GLY CA C 47.351 0.300 1 545 56 56 GLY N N 117.930 0.300 1 546 57 57 GLY H H 8.806 0.030 1 547 57 57 GLY HA2 H 3.708 0.030 2 548 57 57 GLY HA3 H 3.974 0.030 2 549 57 57 GLY C C 173.565 0.300 1 550 57 57 GLY CA C 44.896 0.300 1 551 57 57 GLY N N 107.544 0.300 1 552 58 58 HIS H H 7.967 0.030 1 553 58 58 HIS HA H 4.890 0.030 1 554 58 58 HIS HB2 H 3.146 0.030 1 555 58 58 HIS HB3 H 3.146 0.030 1 556 58 58 HIS HD2 H 7.164 0.030 1 557 58 58 HIS C C 173.697 0.300 1 558 58 58 HIS CA C 54.915 0.300 1 559 58 58 HIS CB C 32.094 0.300 1 560 58 58 HIS CD2 C 120.300 0.300 1 561 58 58 HIS N N 120.244 0.300 1 562 59 59 ARG H H 8.555 0.030 1 563 59 59 ARG HA H 5.531 0.030 1 564 59 59 ARG HB2 H 1.768 0.030 1 565 59 59 ARG HB3 H 1.768 0.030 1 566 59 59 ARG HD2 H 3.141 0.030 1 567 59 59 ARG HD3 H 3.141 0.030 1 568 59 59 ARG HE H 6.598 0.030 1 569 59 59 ARG HG2 H 1.510 0.030 2 570 59 59 ARG HG3 H 1.647 0.030 2 571 59 59 ARG C C 176.356 0.300 1 572 59 59 ARG CA C 54.251 0.300 1 573 59 59 ARG CB C 33.052 0.300 1 574 59 59 ARG CD C 43.481 0.300 1 575 59 59 ARG CG C 27.761 0.300 1 576 59 59 ARG N N 120.291 0.300 1 577 60 60 GLY H H 8.589 0.030 1 578 60 60 GLY HA2 H 3.951 0.030 2 579 60 60 GLY HA3 H 4.110 0.030 2 580 60 60 GLY C C 170.431 0.300 1 581 60 60 GLY CA C 45.289 0.300 1 582 60 60 GLY N N 108.864 0.300 1 583 61 61 LEU H H 8.589 0.030 1 584 61 61 LEU HA H 5.458 0.030 1 585 61 61 LEU HB2 H 1.462 0.030 2 586 61 61 LEU HB3 H 1.223 0.030 2 587 61 61 LEU HD1 H 0.601 0.030 1 588 61 61 LEU HD2 H 0.805 0.030 1 589 61 61 LEU HG H 1.684 0.030 1 590 61 61 LEU C C 178.208 0.300 1 591 61 61 LEU CA C 54.472 0.300 1 592 61 61 LEU CB C 43.586 0.300 1 593 61 61 LEU CD1 C 25.279 0.300 2 594 61 61 LEU CD2 C 22.583 0.300 2 595 61 61 LEU CG C 27.203 0.300 1 596 61 61 LEU N N 119.424 0.300 1 597 62 62 VAL H H 9.604 0.030 1 598 62 62 VAL HA H 5.013 0.030 1 599 62 62 VAL HB H 1.933 0.030 1 600 62 62 VAL HG1 H 0.947 0.030 1 601 62 62 VAL HG2 H 0.914 0.030 1 602 62 62 VAL C C 173.009 0.300 1 603 62 62 VAL CA C 57.484 0.300 1 604 62 62 VAL CB C 35.582 0.300 1 605 62 62 VAL CG1 C 22.544 0.300 2 606 62 62 VAL CG2 C 21.011 0.300 2 607 62 62 VAL N N 117.650 0.300 1 608 63 63 PRO HA H 3.805 0.030 1 609 63 63 PRO HB2 H 1.268 0.030 2 610 63 63 PRO HB3 H 1.678 0.030 2 611 63 63 PRO HD2 H 3.594 0.030 2 612 63 63 PRO HD3 H 3.027 0.030 2 613 63 63 PRO HG2 H 1.400 0.030 2 614 63 63 PRO HG3 H 1.271 0.030 2 615 63 63 PRO C C 177.086 0.300 1 616 63 63 PRO CA C 62.772 0.300 1 617 63 63 PRO CB C 31.457 0.300 1 618 63 63 PRO CD C 51.164 0.300 1 619 63 63 PRO CG C 27.141 0.300 1 620 64 64 ALA H H 8.471 0.030 1 621 64 64 ALA HA H 3.883 0.030 1 622 64 64 ALA HB H 1.086 0.030 1 623 64 64 ALA C C 179.778 0.300 1 624 64 64 ALA CA C 55.349 0.300 1 625 64 64 ALA CB C 20.073 0.300 1 626 64 64 ALA N N 125.385 0.300 1 627 65 65 HIS H H 8.029 0.030 1 628 65 65 HIS HA H 4.436 0.030 1 629 65 65 HIS HB2 H 2.916 0.030 2 630 65 65 HIS HB3 H 3.250 0.030 2 631 65 65 HIS HD2 H 6.862 0.030 1 632 65 65 HIS HE1 H 7.549 0.030 1 633 65 65 HIS C C 175.460 0.300 1 634 65 65 HIS CA C 57.790 0.300 1 635 65 65 HIS CB C 29.124 0.300 1 636 65 65 HIS CD2 C 119.142 0.300 1 637 65 65 HIS CE1 C 138.577 0.300 1 638 65 65 HIS N N 111.450 0.300 1 639 66 66 LEU H H 6.622 0.030 1 640 66 66 LEU HA H 4.305 0.030 1 641 66 66 LEU HB2 H 1.334 0.030 2 642 66 66 LEU HB3 H 1.466 0.030 2 643 66 66 LEU HD1 H 0.468 0.030 1 644 66 66 LEU HD2 H 0.617 0.030 1 645 66 66 LEU HG H 0.604 0.030 1 646 66 66 LEU C C 174.591 0.300 1 647 66 66 LEU CA C 53.891 0.300 1 648 66 66 LEU CB C 41.820 0.300 1 649 66 66 LEU CD1 C 25.803 0.300 2 650 66 66 LEU CD2 C 24.132 0.300 2 651 66 66 LEU CG C 26.586 0.300 1 652 66 66 LEU N N 117.890 0.300 1 653 67 67 LEU H H 7.282 0.030 1 654 67 67 LEU HA H 4.938 0.030 1 655 67 67 LEU HB2 H 1.749 0.030 2 656 67 67 LEU HB3 H 1.158 0.030 2 657 67 67 LEU HD1 H 0.652 0.030 1 658 67 67 LEU HD2 H 0.514 0.030 1 659 67 67 LEU HG H 1.607 0.030 1 660 67 67 LEU C C 175.591 0.300 1 661 67 67 LEU CA C 53.010 0.300 1 662 67 67 LEU CB C 45.036 0.300 1 663 67 67 LEU CD1 C 26.952 0.300 2 664 67 67 LEU CD2 C 22.532 0.300 2 665 67 67 LEU CG C 25.816 0.300 1 666 67 67 LEU N N 117.355 0.300 1 667 68 68 ASP H H 8.978 0.030 1 668 68 68 ASP HA H 4.949 0.030 1 669 68 68 ASP HB2 H 2.476 0.030 2 670 68 68 ASP HB3 H 2.697 0.030 2 671 68 68 ASP C C 176.057 0.300 1 672 68 68 ASP CA C 52.497 0.300 1 673 68 68 ASP CB C 43.489 0.300 1 674 68 68 ASP N N 121.011 0.300 1 675 69 69 HIS H H 8.652 0.030 1 676 69 69 HIS HA H 4.622 0.030 1 677 69 69 HIS HB2 H 2.989 0.030 2 678 69 69 HIS HB3 H 3.154 0.030 2 679 69 69 HIS HD2 H 7.084 0.030 1 680 69 69 HIS HE1 H 7.805 0.030 1 681 69 69 HIS C C 176.013 0.300 1 682 69 69 HIS CA C 57.236 0.300 1 683 69 69 HIS CB C 30.898 0.300 1 684 69 69 HIS CD2 C 120.794 0.300 1 685 69 69 HIS CE1 C 138.252 0.300 1 686 69 69 HIS N N 120.948 0.300 1 687 70 70 MET H H 8.431 0.030 1 688 70 70 MET HA H 4.360 0.030 1 689 70 70 MET HB2 H 1.861 0.030 2 690 70 70 MET HB3 H 2.015 0.030 2 691 70 70 MET HE H 2.016 0.030 1 692 70 70 MET HG2 H 2.423 0.030 2 693 70 70 MET HG3 H 2.459 0.030 2 694 70 70 MET C C 176.075 0.300 1 695 70 70 MET CA C 56.050 0.300 1 696 70 70 MET CB C 33.096 0.300 1 697 70 70 MET CE C 17.219 0.300 1 698 70 70 MET CG C 32.105 0.300 1 699 70 70 MET N N 122.147 0.300 1 700 71 71 SER H H 8.475 0.030 1 701 71 71 SER HA H 4.409 0.030 1 702 71 71 SER HB2 H 3.827 0.030 1 703 71 71 SER HB3 H 3.827 0.030 1 704 71 71 SER C C 174.618 0.300 1 705 71 71 SER CA C 58.375 0.300 1 706 71 71 SER CB C 63.606 0.300 1 707 71 71 SER N N 117.646 0.300 1 708 72 72 LEU H H 8.248 0.030 1 709 72 72 LEU HA H 4.293 0.030 1 710 72 72 LEU HB2 H 1.461 0.030 2 711 72 72 LEU HB3 H 1.523 0.030 2 712 72 72 LEU HD1 H 0.871 0.030 1 713 72 72 LEU HD2 H 0.800 0.030 1 714 72 72 LEU HG H 1.503 0.030 1 715 72 72 LEU C C 177.110 0.300 1 716 72 72 LEU CA C 55.323 0.300 1 717 72 72 LEU CB C 42.202 0.300 1 718 72 72 LEU CD1 C 24.845 0.300 2 719 72 72 LEU CD2 C 23.405 0.300 2 720 72 72 LEU CG C 26.959 0.300 1 721 72 72 LEU N N 123.968 0.300 1 722 73 73 HIS H H 8.147 0.030 1 723 73 73 HIS HA H 4.603 0.030 1 724 73 73 HIS HB2 H 2.999 0.030 2 725 73 73 HIS HB3 H 3.162 0.030 2 726 73 73 HIS HD2 H 7.005 0.030 1 727 73 73 HIS C C 175.747 0.300 1 728 73 73 HIS CA C 56.175 0.300 1 729 73 73 HIS CB C 30.783 0.300 1 730 73 73 HIS CD2 C 119.816 0.300 1 731 73 73 HIS N N 119.082 0.300 1 732 74 74 GLY H H 8.651 0.030 1 733 74 74 GLY HA2 H 3.840 0.030 2 734 74 74 GLY HA3 H 3.888 0.030 2 735 74 74 GLY C C 173.190 0.300 1 736 74 74 GLY CA C 45.326 0.300 1 737 75 75 HIS H H 7.860 0.030 1 738 75 75 HIS HA H 4.458 0.030 1 739 75 75 HIS HB2 H 3.024 0.030 2 740 75 75 HIS HB3 H 3.191 0.030 2 741 75 75 HIS HD2 H 7.039 0.030 1 742 75 75 HIS C C 179.539 0.300 1 743 75 75 HIS CA C 57.174 0.300 1 744 75 75 HIS CB C 30.831 0.300 1 745 75 75 HIS CD2 C 119.904 0.300 1 746 75 75 HIS N N 123.956 0.300 1 stop_ save_