data_11232 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PKD domain (329-428) from human KIAA0319 ; _BMRB_accession_number 11232 _BMRB_flat_file_name bmr11232.str _Entry_type original _Submission_date 2010-07-23 _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 Qin X. . . 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" 620 "13C chemical shifts" 475 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PKD domain (329-428) from human KIAA0319' _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 Qin X. . . 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 'Protein KIAA0319' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PKD 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 'PKD domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGPRTVKELTVSAGD NLIITLPDNEVELKAFVAPA PPVETTYNYEWNLISHPTDY QGEIKQGHKQTLNLSQLSVG LYVFKVTVSSENAFGEGFVN VTVKPARSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ARG 10 THR 11 VAL 12 LYS 13 GLU 14 LEU 15 THR 16 VAL 17 SER 18 ALA 19 GLY 20 ASP 21 ASN 22 LEU 23 ILE 24 ILE 25 THR 26 LEU 27 PRO 28 ASP 29 ASN 30 GLU 31 VAL 32 GLU 33 LEU 34 LYS 35 ALA 36 PHE 37 VAL 38 ALA 39 PRO 40 ALA 41 PRO 42 PRO 43 VAL 44 GLU 45 THR 46 THR 47 TYR 48 ASN 49 TYR 50 GLU 51 TRP 52 ASN 53 LEU 54 ILE 55 SER 56 HIS 57 PRO 58 THR 59 ASP 60 TYR 61 GLN 62 GLY 63 GLU 64 ILE 65 LYS 66 GLN 67 GLY 68 HIS 69 LYS 70 GLN 71 THR 72 LEU 73 ASN 74 LEU 75 SER 76 GLN 77 LEU 78 SER 79 VAL 80 GLY 81 LEU 82 TYR 83 VAL 84 PHE 85 LYS 86 VAL 87 THR 88 VAL 89 SER 90 SER 91 GLU 92 ASN 93 ALA 94 PHE 95 GLY 96 GLU 97 GLY 98 PHE 99 VAL 100 ASN 101 VAL 102 THR 103 VAL 104 LYS 105 PRO 106 ALA 107 ARG 108 SER 109 GLY 110 PRO 111 SER 112 SER 113 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2E7M "Solution Structure Of The Pkd Domain (329-428) From Human Kiaa0319" 100.00 113 100.00 100.00 1.09e-74 REF XP_009448870 "PREDICTED: dyslexia-associated protein KIAA0319 homolog isoform X7 [Pan troglodytes]" 81.42 737 98.91 100.00 3.52e-54 REF XP_011513329 "PREDICTED: dyslexia-associated protein KIAA0319 isoform X5 [Homo sapiens]" 58.41 717 98.48 100.00 3.30e-36 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 P051121-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.16mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.16 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 20031121 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 0.9816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 'PKD 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 4.530 0.030 1 2 6 6 SER HB2 H 3.883 0.030 1 3 6 6 SER HB3 H 3.883 0.030 1 4 6 6 SER C C 174.491 0.300 1 5 6 6 SER CA C 58.331 0.300 1 6 6 6 SER CB C 63.924 0.300 1 7 7 7 GLY H H 8.222 0.030 1 8 7 7 GLY HA2 H 4.119 0.030 1 9 7 7 GLY HA3 H 4.119 0.030 1 10 7 7 GLY C C 171.731 0.300 1 11 7 7 GLY CA C 44.576 0.300 1 12 7 7 GLY N N 110.677 0.300 1 13 8 8 PRO HA H 4.429 0.030 1 14 8 8 PRO HB2 H 1.907 0.030 2 15 8 8 PRO HB3 H 2.268 0.030 2 16 8 8 PRO HD2 H 3.614 0.030 1 17 8 8 PRO HD3 H 3.614 0.030 1 18 8 8 PRO HG2 H 2.007 0.030 1 19 8 8 PRO HG3 H 2.007 0.030 1 20 8 8 PRO C C 177.023 0.300 1 21 8 8 PRO CA C 63.078 0.300 1 22 8 8 PRO CB C 32.178 0.300 1 23 8 8 PRO CD C 49.720 0.300 1 24 8 8 PRO CG C 27.142 0.300 1 25 9 9 ARG H H 8.461 0.030 1 26 9 9 ARG HA H 4.404 0.030 1 27 9 9 ARG HB2 H 1.767 0.030 2 28 9 9 ARG HB3 H 1.858 0.030 2 29 9 9 ARG HD2 H 3.194 0.030 1 30 9 9 ARG HD3 H 3.194 0.030 1 31 9 9 ARG HG2 H 1.598 0.030 2 32 9 9 ARG HG3 H 1.657 0.030 2 33 9 9 ARG C C 176.384 0.300 1 34 9 9 ARG CA C 55.892 0.300 1 35 9 9 ARG CB C 30.799 0.300 1 36 9 9 ARG CD C 43.322 0.300 1 37 9 9 ARG CG C 27.110 0.300 1 38 9 9 ARG N N 121.439 0.300 1 39 10 10 THR H H 8.274 0.030 1 40 10 10 THR HA H 4.334 0.030 1 41 10 10 THR HB H 4.145 0.030 1 42 10 10 THR HG2 H 1.175 0.030 1 43 10 10 THR C C 174.099 0.300 1 44 10 10 THR CA C 61.909 0.300 1 45 10 10 THR CB C 69.772 0.300 1 46 10 10 THR CG2 C 21.586 0.300 1 47 10 10 THR N N 116.962 0.300 1 48 11 11 VAL H H 8.130 0.030 1 49 11 11 VAL HA H 4.071 0.030 1 50 11 11 VAL HB H 1.923 0.030 1 51 11 11 VAL HG1 H 0.866 0.030 1 52 11 11 VAL HG2 H 0.832 0.030 1 53 11 11 VAL C C 175.706 0.300 1 54 11 11 VAL CA C 61.593 0.300 1 55 11 11 VAL CB C 33.212 0.300 1 56 11 11 VAL CG1 C 20.634 0.300 2 57 11 11 VAL CG2 C 21.337 0.300 2 58 11 11 VAL N N 122.986 0.300 1 59 12 12 LYS H H 8.477 0.030 1 60 12 12 LYS HA H 4.320 0.030 1 61 12 12 LYS HB2 H 1.807 0.030 2 62 12 12 LYS HB3 H 1.863 0.030 2 63 12 12 LYS HD2 H 1.686 0.030 1 64 12 12 LYS HD3 H 1.686 0.030 1 65 12 12 LYS HE2 H 2.981 0.030 1 66 12 12 LYS HE3 H 2.981 0.030 1 67 12 12 LYS HG2 H 1.441 0.030 1 68 12 12 LYS HG3 H 1.441 0.030 1 69 12 12 LYS C C 175.316 0.300 1 70 12 12 LYS CA C 56.012 0.300 1 71 12 12 LYS CB C 32.971 0.300 1 72 12 12 LYS CD C 28.999 0.300 1 73 12 12 LYS CE C 42.059 0.300 1 74 12 12 LYS CG C 24.773 0.300 1 75 12 12 LYS N N 127.404 0.300 1 76 13 13 GLU H H 8.490 0.030 1 77 13 13 GLU HA H 4.686 0.030 1 78 13 13 GLU HB2 H 2.032 0.030 1 79 13 13 GLU HB3 H 2.032 0.030 1 80 13 13 GLU HG2 H 2.247 0.030 2 81 13 13 GLU HG3 H 2.383 0.030 2 82 13 13 GLU C C 176.456 0.300 1 83 13 13 GLU CA C 56.226 0.300 1 84 13 13 GLU CB C 30.557 0.300 1 85 13 13 GLU CG C 36.453 0.300 1 86 13 13 GLU N N 123.899 0.300 1 87 14 14 LEU H H 7.929 0.030 1 88 14 14 LEU HA H 4.615 0.030 1 89 14 14 LEU HB2 H 0.848 0.030 2 90 14 14 LEU HB3 H 0.979 0.030 2 91 14 14 LEU HD1 H -0.053 0.030 1 92 14 14 LEU HD2 H 0.548 0.030 1 93 14 14 LEU HG H 1.192 0.030 1 94 14 14 LEU C C 176.551 0.300 1 95 14 14 LEU CA C 52.994 0.300 1 96 14 14 LEU CB C 43.409 0.300 1 97 14 14 LEU CD1 C 24.510 0.300 2 98 14 14 LEU CD2 C 22.415 0.300 2 99 14 14 LEU CG C 26.144 0.300 1 100 14 14 LEU N N 125.215 0.300 1 101 15 15 THR H H 8.968 0.030 1 102 15 15 THR HA H 4.346 0.030 1 103 15 15 THR HB H 4.195 0.030 1 104 15 15 THR HG2 H 1.216 0.030 1 105 15 15 THR C C 173.323 0.300 1 106 15 15 THR CA C 62.715 0.300 1 107 15 15 THR CB C 69.027 0.300 1 108 15 15 THR CG2 C 21.337 0.300 1 109 15 15 THR N N 120.562 0.300 1 110 16 16 VAL H H 8.905 0.030 1 111 16 16 VAL HA H 4.623 0.030 1 112 16 16 VAL HB H 1.445 0.030 1 113 16 16 VAL HG1 H 0.467 0.030 1 114 16 16 VAL HG2 H 0.382 0.030 1 115 16 16 VAL C C 174.354 0.300 1 116 16 16 VAL CA C 60.748 0.300 1 117 16 16 VAL CB C 34.238 0.300 1 118 16 16 VAL CG1 C 21.505 0.300 2 119 16 16 VAL CG2 C 21.100 0.300 2 120 16 16 VAL N N 128.909 0.300 1 121 17 17 SER H H 8.893 0.030 1 122 17 17 SER HA H 4.745 0.030 1 123 17 17 SER HB2 H 3.915 0.030 2 124 17 17 SER HB3 H 3.742 0.030 2 125 17 17 SER C C 173.310 0.300 1 126 17 17 SER CA C 56.289 0.300 1 127 17 17 SER CB C 65.237 0.300 1 128 17 17 SER N N 120.600 0.300 1 129 18 18 ALA H H 9.265 0.030 1 130 18 18 ALA HA H 5.309 0.030 1 131 18 18 ALA HB H 1.248 0.030 1 132 18 18 ALA C C 175.992 0.300 1 133 18 18 ALA CA C 50.913 0.300 1 134 18 18 ALA CB C 19.284 0.300 1 135 18 18 ALA N N 128.297 0.300 1 136 19 19 GLY H H 8.159 0.030 1 137 19 19 GLY HA2 H 3.759 0.030 2 138 19 19 GLY HA3 H 4.522 0.030 2 139 19 19 GLY C C 174.045 0.300 1 140 19 19 GLY CA C 44.375 0.300 1 141 19 19 GLY N N 105.626 0.300 1 142 20 20 ASP H H 8.193 0.030 1 143 20 20 ASP HA H 4.657 0.030 1 144 20 20 ASP HB2 H 2.690 0.030 2 145 20 20 ASP HB3 H 2.807 0.030 2 146 20 20 ASP C C 175.389 0.300 1 147 20 20 ASP CA C 55.262 0.300 1 148 20 20 ASP CB C 41.686 0.300 1 149 20 20 ASP N N 117.399 0.300 1 150 21 21 ASN H H 8.671 0.030 1 151 21 21 ASN HA H 5.137 0.030 1 152 21 21 ASN HB2 H 2.872 0.030 2 153 21 21 ASN HB3 H 2.707 0.030 2 154 21 21 ASN HD21 H 7.099 0.030 2 155 21 21 ASN HD22 H 7.807 0.030 2 156 21 21 ASN C C 175.198 0.300 1 157 21 21 ASN CA C 53.850 0.300 1 158 21 21 ASN CB C 38.943 0.300 1 159 21 21 ASN N N 119.190 0.300 1 160 21 21 ASN ND2 N 115.010 0.300 1 161 22 22 LEU H H 8.516 0.030 1 162 22 22 LEU HA H 4.813 0.030 1 163 22 22 LEU HB2 H 1.513 0.030 2 164 22 22 LEU HB3 H 1.736 0.030 2 165 22 22 LEU HD1 H 0.899 0.030 1 166 22 22 LEU HD2 H 0.889 0.030 1 167 22 22 LEU HG H 1.764 0.030 1 168 22 22 LEU C C 176.464 0.300 1 169 22 22 LEU CA C 54.484 0.300 1 170 22 22 LEU CB C 46.143 0.300 1 171 22 22 LEU CD1 C 25.614 0.300 2 172 22 22 LEU CD2 C 24.176 0.300 2 173 22 22 LEU CG C 27.084 0.300 1 174 22 22 LEU N N 122.970 0.300 1 175 23 23 ILE H H 8.605 0.030 1 176 23 23 ILE HA H 5.027 0.030 1 177 23 23 ILE HB H 1.728 0.030 1 178 23 23 ILE HD1 H 0.890 0.030 1 179 23 23 ILE HG12 H 1.572 0.030 2 180 23 23 ILE HG13 H 1.010 0.030 2 181 23 23 ILE HG2 H 0.791 0.030 1 182 23 23 ILE C C 175.517 0.300 1 183 23 23 ILE CA C 60.618 0.300 1 184 23 23 ILE CB C 40.116 0.300 1 185 23 23 ILE CD1 C 13.738 0.300 1 186 23 23 ILE CG1 C 27.829 0.300 1 187 23 23 ILE CG2 C 17.898 0.300 1 188 23 23 ILE N N 123.994 0.300 1 189 24 24 ILE H H 9.213 0.030 1 190 24 24 ILE HA H 4.634 0.030 1 191 24 24 ILE HB H 1.775 0.030 1 192 24 24 ILE HD1 H 0.532 0.030 1 193 24 24 ILE HG12 H 1.252 0.030 2 194 24 24 ILE HG13 H 0.916 0.030 2 195 24 24 ILE HG2 H 0.769 0.030 1 196 24 24 ILE C C 173.919 0.300 1 197 24 24 ILE CA C 59.235 0.300 1 198 24 24 ILE CB C 40.926 0.300 1 199 24 24 ILE CD1 C 13.074 0.300 1 200 24 24 ILE CG1 C 26.586 0.300 1 201 24 24 ILE CG2 C 17.541 0.300 1 202 24 24 ILE N N 126.721 0.300 1 203 25 25 THR H H 8.923 0.030 1 204 25 25 THR HA H 4.699 0.030 1 205 25 25 THR HB H 3.844 0.030 1 206 25 25 THR HG2 H 1.299 0.030 1 207 25 25 THR C C 174.283 0.300 1 208 25 25 THR CA C 61.483 0.300 1 209 25 25 THR CB C 70.515 0.300 1 210 25 25 THR CG2 C 20.870 0.300 1 211 25 25 THR N N 120.760 0.300 1 212 26 26 LEU H H 8.534 0.030 1 213 26 26 LEU HA H 4.267 0.030 1 214 26 26 LEU HB2 H 1.729 0.030 2 215 26 26 LEU HB3 H 1.422 0.030 2 216 26 26 LEU HD1 H 0.930 0.030 1 217 26 26 LEU HD2 H 0.842 0.030 1 218 26 26 LEU HG H 1.708 0.030 1 219 26 26 LEU C C 174.867 0.300 1 220 26 26 LEU CA C 55.053 0.300 1 221 26 26 LEU CB C 39.911 0.300 1 222 26 26 LEU CD1 C 26.738 0.300 2 223 26 26 LEU CD2 C 22.570 0.300 2 224 26 26 LEU CG C 27.170 0.300 1 225 26 26 LEU N N 129.342 0.300 1 226 27 27 PRO HA H 4.305 0.030 1 227 27 27 PRO HB2 H 2.299 0.030 1 228 27 27 PRO HB3 H 2.299 0.030 1 229 27 27 PRO HD2 H 3.434 0.030 2 230 27 27 PRO HD3 H 3.591 0.030 2 231 27 27 PRO HG2 H 1.933 0.030 2 232 27 27 PRO HG3 H 1.779 0.030 2 233 27 27 PRO C C 177.134 0.300 1 234 27 27 PRO CA C 63.087 0.300 1 235 27 27 PRO CB C 34.504 0.300 1 236 27 27 PRO CD C 50.476 0.300 1 237 27 27 PRO CG C 24.420 0.300 1 238 28 28 ASP H H 8.419 0.030 1 239 28 28 ASP HA H 4.517 0.030 1 240 28 28 ASP HB2 H 2.817 0.030 1 241 28 28 ASP HB3 H 2.817 0.030 1 242 28 28 ASP C C 174.930 0.300 1 243 28 28 ASP CA C 56.267 0.300 1 244 28 28 ASP CB C 40.016 0.300 1 245 28 28 ASP N N 128.921 0.300 1 246 29 29 ASN H H 8.026 0.030 1 247 29 29 ASN HA H 4.538 0.030 1 248 29 29 ASN HB2 H 2.415 0.030 2 249 29 29 ASN HB3 H 3.197 0.030 2 250 29 29 ASN HD21 H 6.877 0.030 2 251 29 29 ASN HD22 H 7.488 0.030 2 252 29 29 ASN C C 173.116 0.300 1 253 29 29 ASN CA C 52.401 0.300 1 254 29 29 ASN CB C 38.918 0.300 1 255 29 29 ASN N N 117.252 0.300 1 256 29 29 ASN ND2 N 111.354 0.300 1 257 30 30 GLU H H 7.269 0.030 1 258 30 30 GLU HA H 5.035 0.030 1 259 30 30 GLU HB2 H 1.968 0.030 2 260 30 30 GLU HB3 H 1.931 0.030 2 261 30 30 GLU HG2 H 2.276 0.030 2 262 30 30 GLU HG3 H 2.126 0.030 2 263 30 30 GLU C C 174.666 0.300 1 264 30 30 GLU CA C 54.076 0.300 1 265 30 30 GLU CB C 33.170 0.300 1 266 30 30 GLU CG C 35.882 0.300 1 267 30 30 GLU N N 116.269 0.300 1 268 31 31 VAL H H 8.187 0.030 1 269 31 31 VAL HA H 4.379 0.030 1 270 31 31 VAL HB H 1.717 0.030 1 271 31 31 VAL HG1 H 0.567 0.030 1 272 31 31 VAL HG2 H 0.625 0.030 1 273 31 31 VAL C C 172.354 0.300 1 274 31 31 VAL CA C 59.955 0.300 1 275 31 31 VAL CB C 35.560 0.300 1 276 31 31 VAL CG1 C 21.100 0.300 2 277 31 31 VAL CG2 C 20.871 0.300 2 278 31 31 VAL N N 116.616 0.300 1 279 32 32 GLU H H 8.157 0.030 1 280 32 32 GLU HA H 4.859 0.030 1 281 32 32 GLU HB2 H 1.657 0.030 2 282 32 32 GLU HB3 H 1.846 0.030 2 283 32 32 GLU HG2 H 1.818 0.030 2 284 32 32 GLU HG3 H 1.663 0.030 2 285 32 32 GLU C C 174.560 0.300 1 286 32 32 GLU CA C 54.678 0.300 1 287 32 32 GLU CB C 32.186 0.300 1 288 32 32 GLU CG C 37.126 0.300 1 289 32 32 GLU N N 126.353 0.300 1 290 33 33 LEU H H 8.631 0.030 1 291 33 33 LEU HA H 4.545 0.030 1 292 33 33 LEU HB2 H 0.986 0.030 2 293 33 33 LEU HB3 H 0.662 0.030 2 294 33 33 LEU HD1 H -0.278 0.030 1 295 33 33 LEU HD2 H 0.528 0.030 1 296 33 33 LEU HG H 0.891 0.030 1 297 33 33 LEU C C 175.320 0.300 1 298 33 33 LEU CA C 52.722 0.300 1 299 33 33 LEU CB C 44.125 0.300 1 300 33 33 LEU CD1 C 25.063 0.300 2 301 33 33 LEU CD2 C 23.280 0.300 2 302 33 33 LEU CG C 26.467 0.300 1 303 33 33 LEU N N 126.912 0.300 1 304 34 34 LYS H H 8.641 0.030 1 305 34 34 LYS HA H 4.839 0.030 1 306 34 34 LYS HB2 H 1.487 0.030 1 307 34 34 LYS HB3 H 1.487 0.030 1 308 34 34 LYS HD2 H 1.511 0.030 1 309 34 34 LYS HD3 H 1.511 0.030 1 310 34 34 LYS HE2 H 2.695 0.030 1 311 34 34 LYS HE3 H 2.695 0.030 1 312 34 34 LYS HG2 H 0.987 0.030 1 313 34 34 LYS HG3 H 0.987 0.030 1 314 34 34 LYS C C 174.021 0.300 1 315 34 34 LYS CA C 55.481 0.300 1 316 34 34 LYS CB C 36.062 0.300 1 317 34 34 LYS CD C 29.534 0.300 1 318 34 34 LYS CE C 41.946 0.300 1 319 34 34 LYS CG C 25.135 0.300 1 320 34 34 LYS N N 120.845 0.300 1 321 35 35 ALA H H 7.814 0.030 1 322 35 35 ALA HA H 4.941 0.030 1 323 35 35 ALA HB H 1.165 0.030 1 324 35 35 ALA C C 175.805 0.300 1 325 35 35 ALA CA C 50.543 0.300 1 326 35 35 ALA CB C 20.812 0.300 1 327 35 35 ALA N N 124.178 0.300 1 328 36 36 PHE H H 9.132 0.030 1 329 36 36 PHE HA H 4.846 0.030 1 330 36 36 PHE HB2 H 3.083 0.030 2 331 36 36 PHE HB3 H 2.937 0.030 2 332 36 36 PHE HD1 H 7.223 0.030 1 333 36 36 PHE HD2 H 7.223 0.030 1 334 36 36 PHE HE1 H 7.277 0.030 1 335 36 36 PHE HE2 H 7.277 0.030 1 336 36 36 PHE C C 174.484 0.300 1 337 36 36 PHE CA C 57.120 0.300 1 338 36 36 PHE CB C 41.116 0.300 1 339 36 36 PHE CD1 C 131.931 0.300 1 340 36 36 PHE CD2 C 131.931 0.300 1 341 36 36 PHE CE1 C 130.930 0.300 1 342 36 36 PHE CE2 C 130.930 0.300 1 343 36 36 PHE N N 122.206 0.300 1 344 37 37 VAL H H 8.154 0.030 1 345 37 37 VAL HA H 4.846 0.030 1 346 37 37 VAL HB H 1.795 0.030 1 347 37 37 VAL HG1 H 0.707 0.030 1 348 37 37 VAL HG2 H 0.743 0.030 1 349 37 37 VAL C C 173.710 0.300 1 350 37 37 VAL CA C 60.366 0.300 1 351 37 37 VAL CB C 34.841 0.300 1 352 37 37 VAL CG1 C 22.470 0.300 2 353 37 37 VAL CG2 C 22.708 0.300 2 354 37 37 VAL N N 122.230 0.300 1 355 38 38 ALA H H 8.497 0.030 1 356 38 38 ALA HA H 4.595 0.030 1 357 38 38 ALA HB H 1.310 0.030 1 358 38 38 ALA C C 174.707 0.300 1 359 38 38 ALA CA C 48.973 0.300 1 360 38 38 ALA CB C 21.221 0.300 1 361 38 38 ALA N N 128.952 0.300 1 362 39 39 PRO HA H 4.657 0.030 1 363 39 39 PRO HB2 H 2.448 0.030 2 364 39 39 PRO HB3 H 2.151 0.030 2 365 39 39 PRO HD2 H 3.554 0.030 2 366 39 39 PRO HD3 H 3.652 0.030 2 367 39 39 PRO HG2 H 1.932 0.030 2 368 39 39 PRO HG3 H 1.748 0.030 2 369 39 39 PRO C C 176.048 0.300 1 370 39 39 PRO CA C 62.193 0.300 1 371 39 39 PRO CB C 34.478 0.300 1 372 39 39 PRO CD C 49.944 0.300 1 373 39 39 PRO CG C 25.025 0.300 1 374 40 40 ALA H H 8.583 0.030 1 375 40 40 ALA HA H 4.515 0.030 1 376 40 40 ALA HB H 1.418 0.030 1 377 40 40 ALA C C 175.123 0.300 1 378 40 40 ALA CA C 50.760 0.300 1 379 40 40 ALA CB C 17.215 0.300 1 380 40 40 ALA N N 125.914 0.300 1 381 41 41 PRO HA H 4.484 0.030 1 382 41 41 PRO HB2 H 1.338 0.030 2 383 41 41 PRO HB3 H 1.772 0.030 2 384 41 41 PRO HD2 H 3.652 0.030 1 385 41 41 PRO HD3 H 3.652 0.030 1 386 41 41 PRO HG2 H 1.540 0.030 2 387 41 41 PRO HG3 H 1.897 0.030 2 388 41 41 PRO CA C 61.019 0.300 1 389 41 41 PRO CB C 29.911 0.300 1 390 41 41 PRO CD C 49.930 0.300 1 391 41 41 PRO CG C 26.655 0.300 1 392 42 42 PRO HA H 4.444 0.030 1 393 42 42 PRO HB2 H 1.971 0.030 2 394 42 42 PRO HB3 H 2.328 0.030 2 395 42 42 PRO HD2 H 3.814 0.030 2 396 42 42 PRO HD3 H 3.476 0.030 2 397 42 42 PRO HG2 H 2.014 0.030 1 398 42 42 PRO HG3 H 2.014 0.030 1 399 42 42 PRO C C 176.740 0.300 1 400 42 42 PRO CA C 62.894 0.300 1 401 42 42 PRO CB C 31.986 0.300 1 402 42 42 PRO CD C 50.209 0.300 1 403 42 42 PRO CG C 27.307 0.300 1 404 43 43 VAL H H 7.865 0.030 1 405 43 43 VAL HA H 4.008 0.030 1 406 43 43 VAL HB H 2.102 0.030 1 407 43 43 VAL HG1 H 0.991 0.030 1 408 43 43 VAL HG2 H 0.974 0.030 1 409 43 43 VAL C C 176.376 0.300 1 410 43 43 VAL CA C 63.070 0.300 1 411 43 43 VAL CB C 32.729 0.300 1 412 43 43 VAL CG1 C 21.069 0.300 2 413 43 43 VAL CG2 C 20.524 0.300 2 414 43 43 VAL N N 117.277 0.300 1 415 44 44 GLU H H 8.796 0.030 1 416 44 44 GLU HA H 4.072 0.030 1 417 44 44 GLU HB2 H 2.125 0.030 2 418 44 44 GLU HB3 H 2.163 0.030 2 419 44 44 GLU HG2 H 2.288 0.030 1 420 44 44 GLU HG3 H 2.288 0.030 1 421 44 44 GLU C C 176.270 0.300 1 422 44 44 GLU CA C 58.147 0.300 1 423 44 44 GLU CB C 28.566 0.300 1 424 44 44 GLU CG C 36.527 0.300 1 425 44 44 GLU N N 119.351 0.300 1 426 45 45 THR H H 7.874 0.030 1 427 45 45 THR HA H 4.533 0.030 1 428 45 45 THR HB H 4.016 0.030 1 429 45 45 THR HG2 H 0.998 0.030 1 430 45 45 THR C C 172.859 0.300 1 431 45 45 THR CA C 61.600 0.300 1 432 45 45 THR CB C 70.720 0.300 1 433 45 45 THR CG2 C 21.021 0.300 1 434 45 45 THR N N 115.079 0.300 1 435 46 46 THR H H 8.186 0.030 1 436 46 46 THR HA H 4.297 0.030 1 437 46 46 THR HB H 4.042 0.030 1 438 46 46 THR HG2 H 1.164 0.030 1 439 46 46 THR C C 174.126 0.300 1 440 46 46 THR CA C 61.481 0.300 1 441 46 46 THR CB C 70.698 0.300 1 442 46 46 THR CG2 C 21.468 0.300 1 443 46 46 THR N N 117.071 0.300 1 444 47 47 TYR H H 8.217 0.030 1 445 47 47 TYR HA H 4.855 0.030 1 446 47 47 TYR HB2 H 2.376 0.030 2 447 47 47 TYR HB3 H 2.471 0.030 2 448 47 47 TYR HD1 H 6.788 0.030 1 449 47 47 TYR HD2 H 6.788 0.030 1 450 47 47 TYR HE1 H 6.565 0.030 1 451 47 47 TYR HE2 H 6.565 0.030 1 452 47 47 TYR C C 174.196 0.300 1 453 47 47 TYR CA C 55.161 0.300 1 454 47 47 TYR CB C 39.531 0.300 1 455 47 47 TYR CD1 C 131.081 0.300 1 456 47 47 TYR CD2 C 131.081 0.300 1 457 47 47 TYR CE1 C 117.753 0.300 1 458 47 47 TYR CE2 C 117.753 0.300 1 459 47 47 TYR N N 122.382 0.300 1 460 48 48 ASN H H 8.882 0.030 1 461 48 48 ASN HA H 4.968 0.030 1 462 48 48 ASN HB2 H 2.706 0.030 2 463 48 48 ASN HB3 H 2.658 0.030 2 464 48 48 ASN HD21 H 7.354 0.030 2 465 48 48 ASN HD22 H 6.997 0.030 2 466 48 48 ASN C C 173.777 0.300 1 467 48 48 ASN CA C 52.300 0.300 1 468 48 48 ASN CB C 40.266 0.300 1 469 48 48 ASN N N 117.856 0.300 1 470 48 48 ASN ND2 N 114.540 0.300 1 471 49 49 TYR H H 9.049 0.030 1 472 49 49 TYR HA H 4.802 0.030 1 473 49 49 TYR HB2 H 2.354 0.030 2 474 49 49 TYR HB3 H 2.243 0.030 2 475 49 49 TYR HD1 H 6.749 0.030 1 476 49 49 TYR HD2 H 6.749 0.030 1 477 49 49 TYR HE1 H 6.562 0.030 1 478 49 49 TYR HE2 H 6.562 0.030 1 479 49 49 TYR C C 175.620 0.300 1 480 49 49 TYR CA C 57.559 0.300 1 481 49 49 TYR CB C 42.330 0.300 1 482 49 49 TYR CD1 C 133.079 0.300 1 483 49 49 TYR CD2 C 133.079 0.300 1 484 49 49 TYR CE1 C 117.833 0.300 1 485 49 49 TYR CE2 C 117.833 0.300 1 486 49 49 TYR N N 121.719 0.300 1 487 50 50 GLU H H 8.296 0.030 1 488 50 50 GLU HA H 4.941 0.030 1 489 50 50 GLU HB2 H 1.886 0.030 1 490 50 50 GLU HB3 H 1.886 0.030 1 491 50 50 GLU HG2 H 2.045 0.030 2 492 50 50 GLU HG3 H 1.965 0.030 2 493 50 50 GLU C C 174.991 0.300 1 494 50 50 GLU CA C 55.846 0.300 1 495 50 50 GLU CB C 33.212 0.300 1 496 50 50 GLU CG C 36.642 0.300 1 497 50 50 GLU N N 120.087 0.300 1 498 51 51 TRP H H 9.202 0.030 1 499 51 51 TRP HA H 5.302 0.030 1 500 51 51 TRP HB2 H 2.957 0.030 2 501 51 51 TRP HB3 H 3.062 0.030 2 502 51 51 TRP HD1 H 7.250 0.030 1 503 51 51 TRP HE1 H 9.519 0.030 1 504 51 51 TRP HE3 H 7.112 0.030 1 505 51 51 TRP HH2 H 6.563 0.030 1 506 51 51 TRP HZ2 H 7.152 0.030 1 507 51 51 TRP HZ3 H 6.443 0.030 1 508 51 51 TRP C C 176.205 0.300 1 509 51 51 TRP CA C 56.531 0.300 1 510 51 51 TRP CB C 32.247 0.300 1 511 51 51 TRP CD1 C 128.955 0.300 1 512 51 51 TRP CE3 C 119.335 0.300 1 513 51 51 TRP CH2 C 123.080 0.300 1 514 51 51 TRP CZ2 C 114.257 0.300 1 515 51 51 TRP CZ3 C 120.405 0.300 1 516 51 51 TRP N N 128.760 0.300 1 517 51 51 TRP NE1 N 129.388 0.300 1 518 52 52 ASN H H 9.633 0.030 1 519 52 52 ASN HA H 5.306 0.030 1 520 52 52 ASN HB2 H 2.522 0.030 2 521 52 52 ASN HB3 H 2.609 0.030 2 522 52 52 ASN HD21 H 7.841 0.030 2 523 52 52 ASN HD22 H 7.440 0.030 2 524 52 52 ASN C C 173.365 0.300 1 525 52 52 ASN CA C 52.956 0.300 1 526 52 52 ASN CB C 43.921 0.300 1 527 52 52 ASN N N 118.824 0.300 1 528 52 52 ASN ND2 N 114.593 0.300 1 529 53 53 LEU H H 9.029 0.030 1 530 53 53 LEU HA H 4.526 0.030 1 531 53 53 LEU HB2 H 1.353 0.030 2 532 53 53 LEU HB3 H 2.054 0.030 2 533 53 53 LEU HD1 H 0.825 0.030 1 534 53 53 LEU HD2 H 0.511 0.030 1 535 53 53 LEU HG H 1.365 0.030 1 536 53 53 LEU C C 175.504 0.300 1 537 53 53 LEU CA C 54.330 0.300 1 538 53 53 LEU CB C 42.187 0.300 1 539 53 53 LEU CD1 C 26.532 0.300 2 540 53 53 LEU CD2 C 22.854 0.300 2 541 53 53 LEU CG C 27.180 0.300 1 542 53 53 LEU N N 125.983 0.300 1 543 54 54 ILE H H 8.869 0.030 1 544 54 54 ILE HA H 4.281 0.030 1 545 54 54 ILE HB H 2.014 0.030 1 546 54 54 ILE HD1 H 0.938 0.030 1 547 54 54 ILE HG12 H 1.402 0.030 2 548 54 54 ILE HG13 H 1.350 0.030 2 549 54 54 ILE HG2 H 0.969 0.030 1 550 54 54 ILE C C 176.574 0.300 1 551 54 54 ILE CA C 61.692 0.300 1 552 54 54 ILE CB C 37.737 0.300 1 553 54 54 ILE CD1 C 12.165 0.300 1 554 54 54 ILE CG1 C 27.016 0.300 1 555 54 54 ILE CG2 C 17.627 0.300 1 556 54 54 ILE N N 125.438 0.300 1 557 55 55 SER H H 7.440 0.030 1 558 55 55 SER HA H 4.571 0.030 1 559 55 55 SER HB2 H 3.516 0.030 2 560 55 55 SER HB3 H 3.669 0.030 2 561 55 55 SER C C 171.899 0.300 1 562 55 55 SER CA C 57.596 0.300 1 563 55 55 SER CB C 64.441 0.300 1 564 55 55 SER N N 112.760 0.300 1 565 56 56 HIS H H 7.967 0.030 1 566 56 56 HIS HA H 5.016 0.030 1 567 56 56 HIS HB2 H 2.763 0.030 2 568 56 56 HIS HB3 H 2.977 0.030 2 569 56 56 HIS HD2 H 6.837 0.030 1 570 56 56 HIS HE1 H 8.226 0.030 1 571 56 56 HIS C C 171.331 0.300 1 572 56 56 HIS CA C 53.146 0.300 1 573 56 56 HIS CB C 29.180 0.300 1 574 56 56 HIS CD2 C 126.842 0.300 1 575 56 56 HIS CE1 C 139.647 0.300 1 576 56 56 HIS N N 119.317 0.300 1 577 57 57 PRO HA H 4.648 0.030 1 578 57 57 PRO HB2 H 2.602 0.030 2 579 57 57 PRO HB3 H 1.967 0.030 2 580 57 57 PRO HD2 H 2.594 0.030 2 581 57 57 PRO HD3 H 2.426 0.030 2 582 57 57 PRO HG2 H 1.743 0.030 2 583 57 57 PRO HG3 H 1.669 0.030 2 584 57 57 PRO CA C 62.634 0.300 1 585 57 57 PRO CB C 32.881 0.300 1 586 57 57 PRO CD C 50.672 0.300 1 587 57 57 PRO CG C 29.092 0.300 1 588 58 58 THR H H 8.240 0.030 1 589 58 58 THR HA H 4.097 0.030 1 590 58 58 THR HB H 4.225 0.030 1 591 58 58 THR HG2 H 1.332 0.030 1 592 58 58 THR C C 175.229 0.300 1 593 58 58 THR CA C 65.387 0.300 1 594 58 58 THR CB C 68.723 0.300 1 595 58 58 THR CG2 C 22.069 0.300 1 596 59 59 ASP H H 8.440 0.030 1 597 59 59 ASP HA H 4.643 0.030 1 598 59 59 ASP HB2 H 2.723 0.030 2 599 59 59 ASP HB3 H 2.838 0.030 2 600 59 59 ASP C C 175.813 0.300 1 601 59 59 ASP CA C 53.843 0.300 1 602 59 59 ASP CB C 40.053 0.300 1 603 59 59 ASP N N 117.299 0.300 1 604 60 60 TYR H H 7.515 0.030 1 605 60 60 TYR HA H 4.634 0.030 1 606 60 60 TYR HB2 H 3.226 0.030 2 607 60 60 TYR HB3 H 2.797 0.030 2 608 60 60 TYR HD1 H 6.870 0.030 1 609 60 60 TYR HD2 H 6.870 0.030 1 610 60 60 TYR HE1 H 6.664 0.030 1 611 60 60 TYR HE2 H 6.664 0.030 1 612 60 60 TYR C C 175.494 0.300 1 613 60 60 TYR CA C 58.335 0.300 1 614 60 60 TYR CB C 39.055 0.300 1 615 60 60 TYR CD1 C 133.126 0.300 1 616 60 60 TYR CD2 C 133.126 0.300 1 617 60 60 TYR CE1 C 118.496 0.300 1 618 60 60 TYR CE2 C 118.496 0.300 1 619 60 60 TYR N N 120.388 0.300 1 620 61 61 GLN H H 8.518 0.030 1 621 61 61 GLN HA H 4.278 0.030 1 622 61 61 GLN HB2 H 2.163 0.030 2 623 61 61 GLN HB3 H 1.675 0.030 2 624 61 61 GLN HE21 H 7.386 0.030 2 625 61 61 GLN HE22 H 6.792 0.030 2 626 61 61 GLN HG2 H 2.259 0.030 2 627 61 61 GLN HG3 H 2.290 0.030 2 628 61 61 GLN C C 175.494 0.300 1 629 61 61 GLN CA C 54.610 0.300 1 630 61 61 GLN CB C 29.481 0.300 1 631 61 61 GLN CG C 33.639 0.300 1 632 61 61 GLN N N 127.336 0.300 1 633 61 61 GLN NE2 N 112.376 0.300 1 634 62 62 GLY H H 5.565 0.030 1 635 62 62 GLY HA2 H 3.887 0.030 2 636 62 62 GLY HA3 H 3.448 0.030 2 637 62 62 GLY C C 171.887 0.300 1 638 62 62 GLY CA C 44.989 0.300 1 639 62 62 GLY N N 106.016 0.300 1 640 63 63 GLU H H 8.044 0.030 1 641 63 63 GLU HA H 4.440 0.030 1 642 63 63 GLU HB2 H 2.021 0.030 2 643 63 63 GLU HB3 H 1.894 0.030 2 644 63 63 GLU HG2 H 2.156 0.030 1 645 63 63 GLU HG3 H 2.156 0.030 1 646 63 63 GLU C C 176.092 0.300 1 647 63 63 GLU CA C 55.395 0.300 1 648 63 63 GLU CB C 31.885 0.300 1 649 63 63 GLU CG C 35.927 0.300 1 650 63 63 GLU N N 117.019 0.300 1 651 64 64 ILE H H 8.597 0.030 1 652 64 64 ILE HA H 4.128 0.030 1 653 64 64 ILE HB H 2.017 0.030 1 654 64 64 ILE HD1 H 1.013 0.030 1 655 64 64 ILE HG12 H 1.769 0.030 2 656 64 64 ILE HG13 H 1.308 0.030 2 657 64 64 ILE HG2 H 0.932 0.030 1 658 64 64 ILE C C 176.176 0.300 1 659 64 64 ILE CA C 61.708 0.300 1 660 64 64 ILE CB C 37.707 0.300 1 661 64 64 ILE CD1 C 13.048 0.300 1 662 64 64 ILE CG1 C 27.666 0.300 1 663 64 64 ILE CG2 C 17.593 0.300 1 664 64 64 ILE N N 122.478 0.300 1 665 65 65 LYS H H 8.431 0.030 1 666 65 65 LYS HA H 4.553 0.030 1 667 65 65 LYS HB2 H 1.972 0.030 2 668 65 65 LYS HB3 H 1.825 0.030 2 669 65 65 LYS HD2 H 1.741 0.030 1 670 65 65 LYS HD3 H 1.741 0.030 1 671 65 65 LYS HE2 H 2.980 0.030 1 672 65 65 LYS HE3 H 2.980 0.030 1 673 65 65 LYS HG2 H 1.514 0.030 2 674 65 65 LYS HG3 H 1.449 0.030 2 675 65 65 LYS C C 176.035 0.300 1 676 65 65 LYS CA C 56.147 0.300 1 677 65 65 LYS CB C 33.702 0.300 1 678 65 65 LYS CD C 28.999 0.300 1 679 65 65 LYS CE C 42.056 0.300 1 680 65 65 LYS CG C 25.054 0.300 1 681 65 65 LYS N N 126.605 0.300 1 682 66 66 GLN H H 8.326 0.030 1 683 66 66 GLN HA H 4.677 0.030 1 684 66 66 GLN HB2 H 2.064 0.030 2 685 66 66 GLN HB3 H 2.184 0.030 2 686 66 66 GLN HE21 H 7.744 0.030 2 687 66 66 GLN HE22 H 6.910 0.030 2 688 66 66 GLN HG2 H 2.381 0.030 2 689 66 66 GLN HG3 H 2.405 0.030 2 690 66 66 GLN C C 175.672 0.300 1 691 66 66 GLN CA C 55.278 0.300 1 692 66 66 GLN CB C 30.014 0.300 1 693 66 66 GLN CG C 34.066 0.300 1 694 66 66 GLN N N 119.452 0.300 1 695 66 66 GLN NE2 N 112.672 0.300 1 696 67 67 GLY H H 8.457 0.030 1 697 67 67 GLY HA2 H 4.402 0.030 2 698 67 67 GLY HA3 H 3.889 0.030 2 699 67 67 GLY C C 173.663 0.300 1 700 67 67 GLY CA C 45.972 0.300 1 701 67 67 GLY N N 109.609 0.300 1 702 68 68 HIS H H 8.502 0.030 1 703 68 68 HIS HA H 5.718 0.030 1 704 68 68 HIS HB2 H 3.682 0.030 2 705 68 68 HIS HB3 H 3.162 0.030 2 706 68 68 HIS HD2 H 7.283 0.030 1 707 68 68 HIS HE1 H 8.167 0.030 1 708 68 68 HIS C C 175.268 0.300 1 709 68 68 HIS CA C 55.292 0.300 1 710 68 68 HIS CB C 30.053 0.300 1 711 68 68 HIS CD2 C 120.078 0.300 1 712 68 68 HIS CE1 C 137.161 0.300 1 713 68 68 HIS N N 118.509 0.300 1 714 69 69 LYS H H 8.857 0.030 1 715 69 69 LYS HA H 4.875 0.030 1 716 69 69 LYS HB2 H 2.058 0.030 2 717 69 69 LYS HB3 H 2.104 0.030 2 718 69 69 LYS HD2 H 1.745 0.030 1 719 69 69 LYS HD3 H 1.745 0.030 1 720 69 69 LYS HE2 H 3.033 0.030 1 721 69 69 LYS HE3 H 3.033 0.030 1 722 69 69 LYS HG2 H 1.433 0.030 1 723 69 69 LYS HG3 H 1.433 0.030 1 724 69 69 LYS C C 174.386 0.300 1 725 69 69 LYS CA C 54.568 0.300 1 726 69 69 LYS CB C 35.203 0.300 1 727 69 69 LYS CD C 29.132 0.300 1 728 69 69 LYS CE C 42.247 0.300 1 729 69 69 LYS CG C 24.913 0.300 1 730 69 69 LYS N N 121.430 0.300 1 731 70 70 GLN H H 8.253 0.030 1 732 70 70 GLN HA H 2.868 0.030 1 733 70 70 GLN HB2 H 1.614 0.030 2 734 70 70 GLN HB3 H 1.317 0.030 2 735 70 70 GLN HE21 H 7.547 0.030 2 736 70 70 GLN HE22 H 6.726 0.030 2 737 70 70 GLN HG2 H 2.117 0.030 1 738 70 70 GLN HG3 H 2.117 0.030 1 739 70 70 GLN C C 175.040 0.300 1 740 70 70 GLN CA C 58.422 0.300 1 741 70 70 GLN CB C 28.270 0.300 1 742 70 70 GLN CG C 33.381 0.300 1 743 70 70 GLN N N 118.504 0.300 1 744 70 70 GLN NE2 N 110.375 0.300 1 745 71 71 THR H H 6.958 0.030 1 746 71 71 THR HA H 5.085 0.030 1 747 71 71 THR HB H 3.835 0.030 1 748 71 71 THR HG2 H 0.926 0.030 1 749 71 71 THR C C 172.882 0.300 1 750 71 71 THR CA C 58.823 0.300 1 751 71 71 THR CB C 70.836 0.300 1 752 71 71 THR CG2 C 21.834 0.300 1 753 71 71 THR N N 106.435 0.300 1 754 72 72 LEU H H 8.512 0.030 1 755 72 72 LEU HA H 4.068 0.030 1 756 72 72 LEU HB2 H 0.025 0.030 2 757 72 72 LEU HB3 H -0.842 0.030 2 758 72 72 LEU HD1 H 0.543 0.030 1 759 72 72 LEU HD2 H 0.074 0.030 1 760 72 72 LEU HG H 0.603 0.030 1 761 72 72 LEU C C 173.718 0.300 1 762 72 72 LEU CA C 53.182 0.300 1 763 72 72 LEU CB C 42.944 0.300 1 764 72 72 LEU CD1 C 23.497 0.300 2 765 72 72 LEU CD2 C 26.120 0.300 2 766 72 72 LEU CG C 26.491 0.300 1 767 72 72 LEU N N 125.760 0.300 1 768 73 73 ASN H H 8.256 0.030 1 769 73 73 ASN HA H 5.103 0.030 1 770 73 73 ASN HB2 H 2.594 0.030 2 771 73 73 ASN HB3 H 2.394 0.030 2 772 73 73 ASN HD21 H 7.520 0.030 2 773 73 73 ASN HD22 H 7.324 0.030 2 774 73 73 ASN C C 173.543 0.300 1 775 73 73 ASN CA C 53.254 0.300 1 776 73 73 ASN CB C 40.892 0.300 1 777 73 73 ASN N N 124.959 0.300 1 778 73 73 ASN ND2 N 112.403 0.300 1 779 74 74 LEU H H 8.395 0.030 1 780 74 74 LEU HA H 4.682 0.030 1 781 74 74 LEU HB2 H 1.352 0.030 2 782 74 74 LEU HB3 H 1.379 0.030 2 783 74 74 LEU HD1 H 0.638 0.030 1 784 74 74 LEU HD2 H 0.761 0.030 1 785 74 74 LEU HG H 1.346 0.030 1 786 74 74 LEU C C 175.335 0.300 1 787 74 74 LEU CA C 53.891 0.300 1 788 74 74 LEU CB C 45.498 0.300 1 789 74 74 LEU CD1 C 25.555 0.300 2 790 74 74 LEU CD2 C 24.299 0.300 2 791 74 74 LEU CG C 27.168 0.300 1 792 74 74 LEU N N 123.673 0.300 1 793 75 75 SER H H 8.201 0.030 1 794 75 75 SER HA H 5.016 0.030 1 795 75 75 SER HB2 H 3.845 0.030 2 796 75 75 SER HB3 H 3.907 0.030 2 797 75 75 SER C C 172.756 0.300 1 798 75 75 SER CA C 56.828 0.300 1 799 75 75 SER CB C 65.767 0.300 1 800 75 75 SER N N 115.218 0.300 1 801 76 76 GLN H H 8.501 0.030 1 802 76 76 GLN HA H 3.805 0.030 1 803 76 76 GLN HB2 H 2.224 0.030 2 804 76 76 GLN HB3 H 2.289 0.030 2 805 76 76 GLN HE21 H 6.844 0.030 2 806 76 76 GLN HE22 H 7.523 0.030 2 807 76 76 GLN HG2 H 2.301 0.030 2 808 76 76 GLN HG3 H 2.333 0.030 2 809 76 76 GLN C C 175.588 0.300 1 810 76 76 GLN CA C 56.606 0.300 1 811 76 76 GLN CB C 26.241 0.300 1 812 76 76 GLN CG C 34.371 0.300 1 813 76 76 GLN N N 114.338 0.300 1 814 76 76 GLN NE2 N 112.376 0.300 1 815 77 77 LEU H H 8.129 0.030 1 816 77 77 LEU HA H 4.129 0.030 1 817 77 77 LEU HB2 H 1.142 0.030 2 818 77 77 LEU HB3 H 1.259 0.030 2 819 77 77 LEU HD1 H 0.165 0.030 1 820 77 77 LEU HD2 H 0.075 0.030 1 821 77 77 LEU HG H 1.234 0.030 1 822 77 77 LEU C C 176.427 0.300 1 823 77 77 LEU CA C 56.493 0.300 1 824 77 77 LEU CB C 42.216 0.300 1 825 77 77 LEU CD1 C 25.130 0.300 2 826 77 77 LEU CD2 C 21.446 0.300 2 827 77 77 LEU CG C 26.541 0.300 1 828 77 77 LEU N N 117.706 0.300 1 829 78 78 SER H H 7.229 0.030 1 830 78 78 SER HA H 4.738 0.030 1 831 78 78 SER HB2 H 4.158 0.030 2 832 78 78 SER HB3 H 3.940 0.030 2 833 78 78 SER C C 175.702 0.300 1 834 78 78 SER CA C 56.539 0.300 1 835 78 78 SER CB C 65.178 0.300 1 836 78 78 SER N N 114.478 0.300 1 837 79 79 VAL H H 8.314 0.030 1 838 79 79 VAL HA H 3.627 0.030 1 839 79 79 VAL HB H 2.011 0.030 1 840 79 79 VAL HG1 H 1.025 0.030 1 841 79 79 VAL HG2 H 1.028 0.030 1 842 79 79 VAL C C 175.461 0.300 1 843 79 79 VAL CA C 64.208 0.300 1 844 79 79 VAL CB C 32.725 0.300 1 845 79 79 VAL CG1 C 22.215 0.300 2 846 79 79 VAL CG2 C 21.320 0.300 2 847 79 79 VAL N N 118.849 0.300 1 848 80 80 GLY H H 8.848 0.030 1 849 80 80 GLY HA2 H 4.562 0.030 2 850 80 80 GLY HA3 H 3.757 0.030 2 851 80 80 GLY C C 170.272 0.300 1 852 80 80 GLY CA C 43.751 0.300 1 853 80 80 GLY N N 113.050 0.300 1 854 81 81 LEU H H 7.966 0.030 1 855 81 81 LEU HA H 5.116 0.030 1 856 81 81 LEU HB2 H 1.360 0.030 2 857 81 81 LEU HB3 H 1.544 0.030 2 858 81 81 LEU HD1 H 0.770 0.030 1 859 81 81 LEU HD2 H 0.857 0.030 1 860 81 81 LEU HG H 1.282 0.030 1 861 81 81 LEU C C 175.240 0.300 1 862 81 81 LEU CA C 54.459 0.300 1 863 81 81 LEU CB C 43.719 0.300 1 864 81 81 LEU CD1 C 25.652 0.300 2 865 81 81 LEU CD2 C 23.319 0.300 2 866 81 81 LEU CG C 27.639 0.300 1 867 81 81 LEU N N 121.427 0.300 1 868 82 82 TYR H H 9.559 0.030 1 869 82 82 TYR HA H 4.820 0.030 1 870 82 82 TYR HB2 H 3.107 0.030 2 871 82 82 TYR HB3 H 2.489 0.030 2 872 82 82 TYR HD1 H 6.967 0.030 1 873 82 82 TYR HD2 H 6.967 0.030 1 874 82 82 TYR HE1 H 6.056 0.030 1 875 82 82 TYR HE2 H 6.056 0.030 1 876 82 82 TYR C C 174.668 0.300 1 877 82 82 TYR CA C 56.276 0.300 1 878 82 82 TYR CB C 40.815 0.300 1 879 82 82 TYR CD1 C 132.395 0.300 1 880 82 82 TYR CD2 C 132.395 0.300 1 881 82 82 TYR CE1 C 117.523 0.300 1 882 82 82 TYR CE2 C 117.523 0.300 1 883 82 82 TYR N N 126.571 0.300 1 884 83 83 VAL H H 8.144 0.030 1 885 83 83 VAL HA H 4.841 0.030 1 886 83 83 VAL HB H 1.854 0.030 1 887 83 83 VAL HG1 H 1.065 0.030 1 888 83 83 VAL HG2 H 0.847 0.030 1 889 83 83 VAL C C 174.756 0.300 1 890 83 83 VAL CA C 61.927 0.300 1 891 83 83 VAL CB C 33.895 0.300 1 892 83 83 VAL CG1 C 20.604 0.300 2 893 83 83 VAL CG2 C 19.605 0.300 2 894 83 83 VAL N N 121.789 0.300 1 895 84 84 PHE H H 9.387 0.030 1 896 84 84 PHE HA H 5.454 0.030 1 897 84 84 PHE HB2 H 3.289 0.030 2 898 84 84 PHE HB3 H 3.062 0.030 2 899 84 84 PHE HD1 H 7.093 0.030 1 900 84 84 PHE HD2 H 7.093 0.030 1 901 84 84 PHE HE1 H 6.951 0.030 1 902 84 84 PHE HE2 H 6.951 0.030 1 903 84 84 PHE HZ H 6.807 0.030 1 904 84 84 PHE C C 174.035 0.300 1 905 84 84 PHE CA C 56.886 0.300 1 906 84 84 PHE CB C 42.550 0.300 1 907 84 84 PHE CD1 C 131.560 0.300 1 908 84 84 PHE CD2 C 131.560 0.300 1 909 84 84 PHE CE1 C 131.300 0.300 1 910 84 84 PHE CE2 C 131.300 0.300 1 911 84 84 PHE CZ C 129.005 0.300 1 912 84 84 PHE N N 125.017 0.300 1 913 85 85 LYS H H 9.204 0.030 1 914 85 85 LYS HA H 5.009 0.030 1 915 85 85 LYS HB2 H 1.394 0.030 2 916 85 85 LYS HB3 H 1.637 0.030 2 917 85 85 LYS HD2 H 1.529 0.030 1 918 85 85 LYS HD3 H 1.529 0.030 1 919 85 85 LYS HE2 H 2.677 0.030 2 920 85 85 LYS HE3 H 2.757 0.030 2 921 85 85 LYS HG2 H 0.890 0.030 2 922 85 85 LYS HG3 H 0.562 0.030 2 923 85 85 LYS C C 174.536 0.300 1 924 85 85 LYS CA C 54.020 0.300 1 925 85 85 LYS CB C 37.255 0.300 1 926 85 85 LYS CD C 29.510 0.300 1 927 85 85 LYS CE C 41.912 0.300 1 928 85 85 LYS CG C 24.337 0.300 1 929 85 85 LYS N N 121.228 0.300 1 930 86 86 VAL H H 8.814 0.030 1 931 86 86 VAL HA H 4.769 0.030 1 932 86 86 VAL HB H -0.007 0.030 1 933 86 86 VAL HG1 H -0.442 0.030 1 934 86 86 VAL HG2 H 0.031 0.030 1 935 86 86 VAL C C 172.719 0.300 1 936 86 86 VAL CA C 57.634 0.300 1 937 86 86 VAL CB C 32.764 0.300 1 938 86 86 VAL CG1 C 19.759 0.300 2 939 86 86 VAL CG2 C 18.104 0.300 2 940 86 86 VAL N N 126.046 0.300 1 941 87 87 THR H H 8.631 0.030 1 942 87 87 THR HA H 4.485 0.030 1 943 87 87 THR HB H 3.798 0.030 1 944 87 87 THR HG2 H 1.082 0.030 1 945 87 87 THR C C 173.477 0.300 1 946 87 87 THR CA C 60.970 0.300 1 947 87 87 THR CB C 70.306 0.300 1 948 87 87 THR CG2 C 22.432 0.300 1 949 87 87 THR N N 123.123 0.300 1 950 88 88 VAL H H 8.555 0.030 1 951 88 88 VAL HA H 4.569 0.030 1 952 88 88 VAL HB H 1.089 0.030 1 953 88 88 VAL HG1 H -0.042 0.030 1 954 88 88 VAL HG2 H 0.326 0.030 1 955 88 88 VAL C C 173.413 0.300 1 956 88 88 VAL CA C 59.752 0.300 1 957 88 88 VAL CB C 32.884 0.300 1 958 88 88 VAL CG1 C 21.392 0.300 2 959 88 88 VAL CG2 C 22.135 0.300 2 960 88 88 VAL N N 127.518 0.300 1 961 89 89 SER H H 8.552 0.030 1 962 89 89 SER HA H 5.057 0.030 1 963 89 89 SER HB2 H 4.134 0.030 2 964 89 89 SER HB3 H 3.885 0.030 2 965 89 89 SER C C 172.848 0.300 1 966 89 89 SER CA C 56.740 0.300 1 967 89 89 SER CB C 67.254 0.300 1 968 89 89 SER N N 116.418 0.300 1 969 90 90 SER H H 8.702 0.030 1 970 90 90 SER HA H 4.835 0.030 1 971 90 90 SER HB2 H 3.899 0.030 2 972 90 90 SER HB3 H 4.296 0.030 2 973 90 90 SER C C 174.591 0.300 1 974 90 90 SER CA C 56.669 0.300 1 975 90 90 SER CB C 65.709 0.300 1 976 90 90 SER N N 115.881 0.300 1 977 91 91 GLU H H 8.879 0.030 1 978 91 91 GLU HA H 4.155 0.030 1 979 91 91 GLU HB2 H 2.028 0.030 2 980 91 91 GLU HB3 H 2.084 0.030 2 981 91 91 GLU HG2 H 2.321 0.030 1 982 91 91 GLU HG3 H 2.321 0.030 1 983 91 91 GLU C C 176.911 0.300 1 984 91 91 GLU CA C 59.404 0.300 1 985 91 91 GLU CB C 29.268 0.300 1 986 91 91 GLU CG C 36.141 0.300 1 987 91 91 GLU N N 119.428 0.300 1 988 92 92 ASN H H 8.303 0.030 1 989 92 92 ASN HA H 4.950 0.030 1 990 92 92 ASN HB2 H 2.857 0.030 2 991 92 92 ASN HB3 H 2.936 0.030 2 992 92 92 ASN HD21 H 7.596 0.030 2 993 92 92 ASN HD22 H 6.911 0.030 2 994 92 92 ASN C C 173.962 0.300 1 995 92 92 ASN CA C 52.643 0.300 1 996 92 92 ASN CB C 40.030 0.300 1 997 92 92 ASN N N 114.514 0.300 1 998 92 92 ASN ND2 N 112.394 0.300 1 999 93 93 ALA H H 7.625 0.030 1 1000 93 93 ALA HA H 5.300 0.030 1 1001 93 93 ALA HB H 1.203 0.030 1 1002 93 93 ALA C C 175.698 0.300 1 1003 93 93 ALA CA C 52.092 0.300 1 1004 93 93 ALA CB C 22.479 0.300 1 1005 93 93 ALA N N 122.323 0.300 1 1006 94 94 PHE H H 8.419 0.030 1 1007 94 94 PHE HA H 5.179 0.030 1 1008 94 94 PHE HB2 H 3.139 0.030 2 1009 94 94 PHE HB3 H 2.709 0.030 2 1010 94 94 PHE HD1 H 7.112 0.030 1 1011 94 94 PHE HD2 H 7.112 0.030 1 1012 94 94 PHE HE1 H 7.220 0.030 1 1013 94 94 PHE HE2 H 7.220 0.030 1 1014 94 94 PHE HZ H 7.210 0.030 1 1015 94 94 PHE C C 174.572 0.300 1 1016 94 94 PHE CA C 58.121 0.300 1 1017 94 94 PHE CB C 43.917 0.300 1 1018 94 94 PHE CD1 C 131.301 0.300 1 1019 94 94 PHE CD2 C 131.301 0.300 1 1020 94 94 PHE CE1 C 131.238 0.300 1 1021 94 94 PHE CE2 C 131.238 0.300 1 1022 94 94 PHE CZ C 129.922 0.300 1 1023 94 94 PHE N N 120.205 0.300 1 1024 95 95 GLY H H 8.274 0.030 1 1025 95 95 GLY HA2 H 4.152 0.030 2 1026 95 95 GLY HA3 H 3.826 0.030 2 1027 95 95 GLY C C 169.747 0.300 1 1028 95 95 GLY CA C 45.762 0.300 1 1029 95 95 GLY N N 115.164 0.300 1 1030 96 96 GLU H H 8.435 0.030 1 1031 96 96 GLU HA H 5.250 0.030 1 1032 96 96 GLU HB2 H 1.662 0.030 2 1033 96 96 GLU HB3 H 1.737 0.030 2 1034 96 96 GLU HG2 H 2.005 0.030 2 1035 96 96 GLU HG3 H 2.048 0.030 2 1036 96 96 GLU C C 175.121 0.300 1 1037 96 96 GLU CA C 54.066 0.300 1 1038 96 96 GLU CB C 34.203 0.300 1 1039 96 96 GLU CG C 36.332 0.300 1 1040 96 96 GLU N N 116.315 0.300 1 1041 97 97 GLY H H 8.675 0.030 1 1042 97 97 GLY HA2 H 3.250 0.030 2 1043 97 97 GLY HA3 H 4.637 0.030 2 1044 97 97 GLY C C 170.272 0.300 1 1045 97 97 GLY CA C 43.905 0.300 1 1046 97 97 GLY N N 109.045 0.300 1 1047 98 98 PHE H H 8.613 0.030 1 1048 98 98 PHE HA H 5.785 0.030 1 1049 98 98 PHE HB2 H 3.169 0.030 2 1050 98 98 PHE HB3 H 2.863 0.030 2 1051 98 98 PHE HD1 H 7.230 0.030 1 1052 98 98 PHE HD2 H 7.230 0.030 1 1053 98 98 PHE HE1 H 7.285 0.030 1 1054 98 98 PHE HE2 H 7.285 0.030 1 1055 98 98 PHE HZ H 7.255 0.030 1 1056 98 98 PHE C C 175.656 0.300 1 1057 98 98 PHE CA C 56.669 0.300 1 1058 98 98 PHE CB C 43.632 0.300 1 1059 98 98 PHE CD1 C 131.777 0.300 1 1060 98 98 PHE CD2 C 131.777 0.300 1 1061 98 98 PHE CE1 C 130.771 0.300 1 1062 98 98 PHE CE2 C 130.771 0.300 1 1063 98 98 PHE CZ C 129.309 0.300 1 1064 98 98 PHE N N 116.882 0.300 1 1065 99 99 VAL H H 9.165 0.030 1 1066 99 99 VAL HA H 4.667 0.030 1 1067 99 99 VAL HB H 2.099 0.030 1 1068 99 99 VAL HG1 H 0.994 0.030 1 1069 99 99 VAL HG2 H 1.067 0.030 1 1070 99 99 VAL C C 171.437 0.300 1 1071 99 99 VAL CA C 61.390 0.300 1 1072 99 99 VAL CB C 35.092 0.300 1 1073 99 99 VAL CG1 C 21.869 0.300 2 1074 99 99 VAL CG2 C 20.471 0.300 2 1075 99 99 VAL N N 120.857 0.300 1 1076 100 100 ASN H H 8.293 0.030 1 1077 100 100 ASN HA H 5.931 0.030 1 1078 100 100 ASN HB2 H 2.829 0.030 2 1079 100 100 ASN HB3 H 2.692 0.030 2 1080 100 100 ASN HD21 H 6.556 0.030 2 1081 100 100 ASN HD22 H 7.253 0.030 2 1082 100 100 ASN C C 174.512 0.300 1 1083 100 100 ASN CA C 51.316 0.300 1 1084 100 100 ASN CB C 40.513 0.300 1 1085 100 100 ASN N N 124.696 0.300 1 1086 100 100 ASN ND2 N 109.922 0.300 1 1087 101 101 VAL H H 9.544 0.030 1 1088 101 101 VAL HA H 4.826 0.030 1 1089 101 101 VAL HB H 2.116 0.030 1 1090 101 101 VAL HG1 H 0.995 0.030 1 1091 101 101 VAL HG2 H 0.679 0.030 1 1092 101 101 VAL C C 174.558 0.300 1 1093 101 101 VAL CA C 61.119 0.300 1 1094 101 101 VAL CB C 35.807 0.300 1 1095 101 101 VAL CG1 C 22.013 0.300 2 1096 101 101 VAL CG2 C 20.779 0.300 2 1097 101 101 VAL N N 121.931 0.300 1 1098 102 102 THR H H 8.947 0.030 1 1099 102 102 THR HA H 5.050 0.030 1 1100 102 102 THR HB H 4.091 0.030 1 1101 102 102 THR HG2 H 1.132 0.030 1 1102 102 102 THR C C 172.627 0.300 1 1103 102 102 THR CA C 62.238 0.300 1 1104 102 102 THR CB C 70.152 0.300 1 1105 102 102 THR CG2 C 21.142 0.300 1 1106 102 102 THR N N 125.079 0.300 1 1107 103 103 VAL H H 9.474 0.030 1 1108 103 103 VAL HA H 4.921 0.030 1 1109 103 103 VAL HB H 2.460 0.030 1 1110 103 103 VAL HG1 H 0.746 0.030 1 1111 103 103 VAL HG2 H 0.645 0.030 1 1112 103 103 VAL C C 177.035 0.300 1 1113 103 103 VAL CA C 60.583 0.300 1 1114 103 103 VAL CB C 31.806 0.300 1 1115 103 103 VAL CG1 C 21.956 0.300 2 1116 103 103 VAL CG2 C 20.407 0.300 2 1117 103 103 VAL N N 127.966 0.300 1 1118 104 104 LYS H H 9.676 0.030 1 1119 104 104 LYS HA H 4.767 0.030 1 1120 104 104 LYS HB2 H 1.953 0.030 1 1121 104 104 LYS HB3 H 1.953 0.030 1 1122 104 104 LYS HD2 H 1.669 0.030 1 1123 104 104 LYS HD3 H 1.669 0.030 1 1124 104 104 LYS HE2 H 2.956 0.030 1 1125 104 104 LYS HE3 H 2.956 0.030 1 1126 104 104 LYS HG2 H 1.490 0.030 2 1127 104 104 LYS HG3 H 1.386 0.030 2 1128 104 104 LYS C C 173.155 0.300 1 1129 104 104 LYS CA C 54.086 0.300 1 1130 104 104 LYS CB C 32.820 0.300 1 1131 104 104 LYS CD C 29.071 0.300 1 1132 104 104 LYS CE C 41.974 0.300 1 1133 104 104 LYS CG C 25.537 0.300 1 1134 104 104 LYS N N 129.838 0.300 1 1135 105 105 PRO HA H 4.389 0.030 1 1136 105 105 PRO HB2 H 2.022 0.030 2 1137 105 105 PRO HB3 H 2.338 0.030 2 1138 105 105 PRO HD2 H 3.723 0.030 2 1139 105 105 PRO HD3 H 3.741 0.030 2 1140 105 105 PRO HG2 H 2.015 0.030 2 1141 105 105 PRO HG3 H 2.114 0.030 2 1142 105 105 PRO C C 174.817 0.300 1 1143 105 105 PRO CA C 62.093 0.300 1 1144 105 105 PRO CB C 32.400 0.300 1 1145 105 105 PRO CD C 50.301 0.300 1 1146 105 105 PRO CG C 27.058 0.300 1 1147 106 106 ALA H H 8.219 0.030 1 1148 106 106 ALA HA H 4.267 0.030 1 1149 106 106 ALA HB H 1.244 0.030 1 1150 106 106 ALA C C 178.721 0.300 1 1151 106 106 ALA CA C 52.204 0.300 1 1152 106 106 ALA CB C 18.921 0.300 1 1153 106 106 ALA N N 120.786 0.300 1 1154 107 107 ARG H H 8.483 0.030 1 1155 107 107 ARG HA H 4.301 0.030 1 1156 107 107 ARG HB2 H 1.883 0.030 2 1157 107 107 ARG HB3 H 1.774 0.030 2 1158 107 107 ARG HD2 H 3.232 0.030 1 1159 107 107 ARG HD3 H 3.232 0.030 1 1160 107 107 ARG HG2 H 1.673 0.030 2 1161 107 107 ARG HG3 H 1.710 0.030 2 1162 107 107 ARG C C 176.419 0.300 1 1163 107 107 ARG CA C 56.143 0.300 1 1164 107 107 ARG CB C 30.794 0.300 1 1165 107 107 ARG CD C 43.339 0.300 1 1166 107 107 ARG CG C 27.159 0.300 1 1167 107 107 ARG N N 120.332 0.300 1 1168 108 108 SER HA H 4.520 0.030 1 1169 108 108 SER HB2 H 3.863 0.030 1 1170 108 108 SER HB3 H 3.863 0.030 1 1171 108 108 SER C C 174.449 0.300 1 1172 108 108 SER CA C 58.048 0.300 1 1173 108 108 SER CB C 64.165 0.300 1 1174 109 109 GLY H H 8.273 0.030 1 1175 109 109 GLY HA2 H 4.138 0.030 1 1176 109 109 GLY HA3 H 4.138 0.030 1 1177 109 109 GLY C C 171.827 0.300 1 1178 109 109 GLY CA C 44.676 0.300 1 1179 109 109 GLY N N 110.726 0.300 1 1180 110 110 PRO HA H 4.495 0.030 1 1181 110 110 PRO HB2 H 2.311 0.030 2 1182 110 110 PRO HB3 H 1.994 0.030 2 1183 110 110 PRO HD2 H 3.650 0.030 1 1184 110 110 PRO HD3 H 3.650 0.030 1 1185 110 110 PRO HG2 H 1.975 0.030 1 1186 110 110 PRO HG3 H 1.975 0.030 1 1187 110 110 PRO CA C 63.304 0.300 1 1188 110 110 PRO CB C 32.201 0.300 1 1189 110 110 PRO CD C 49.703 0.300 1 1190 110 110 PRO CG C 27.235 0.300 1 1191 112 112 SER HA H 4.483 0.030 1 1192 112 112 SER HB2 H 3.902 0.030 1 1193 112 112 SER HB3 H 3.902 0.030 1 1194 112 112 SER C C 173.904 0.300 1 1195 112 112 SER CA C 58.359 0.300 1 1196 112 112 SER CB C 64.286 0.300 1 1197 113 113 GLY H H 8.043 0.030 1 1198 113 113 GLY HA2 H 3.805 0.030 2 1199 113 113 GLY HA3 H 3.762 0.030 2 1200 113 113 GLY C C 179.012 0.300 1 1201 113 113 GLY CA C 46.220 0.300 1 1202 113 113 GLY N N 116.850 0.300 1 stop_ save_