data_11304 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2 ; _BMRB_accession_number 11304 _BMRB_flat_file_name bmr11304.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 651 "13C chemical shifts" 487 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2 ; _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Neural cell adhesion molecule 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fibronectin type-III 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 'Fibronectin type-III domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGQEYILALADVPSS PYGVKIIELSQTTAKVSFNK PDSHGGVPIHHYQVDVKEVA SEIWKIVRSHGVQTMVVLNN LEPNTTYEIRVAAVNGKGQG DYSKIEIFQTLPVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 GLU 10 TYR 11 ILE 12 LEU 13 ALA 14 LEU 15 ALA 16 ASP 17 VAL 18 PRO 19 SER 20 SER 21 PRO 22 TYR 23 GLY 24 VAL 25 LYS 26 ILE 27 ILE 28 GLU 29 LEU 30 SER 31 GLN 32 THR 33 THR 34 ALA 35 LYS 36 VAL 37 SER 38 PHE 39 ASN 40 LYS 41 PRO 42 ASP 43 SER 44 HIS 45 GLY 46 GLY 47 VAL 48 PRO 49 ILE 50 HIS 51 HIS 52 TYR 53 GLN 54 VAL 55 ASP 56 VAL 57 LYS 58 GLU 59 VAL 60 ALA 61 SER 62 GLU 63 ILE 64 TRP 65 LYS 66 ILE 67 VAL 68 ARG 69 SER 70 HIS 71 GLY 72 VAL 73 GLN 74 THR 75 MET 76 VAL 77 VAL 78 LEU 79 ASN 80 ASN 81 LEU 82 GLU 83 PRO 84 ASN 85 THR 86 THR 87 TYR 88 GLU 89 ILE 90 ARG 91 VAL 92 ALA 93 ALA 94 VAL 95 ASN 96 GLY 97 LYS 98 GLY 99 GLN 100 GLY 101 ASP 102 TYR 103 SER 104 LYS 105 ILE 106 GLU 107 ILE 108 PHE 109 GLN 110 THR 111 LEU 112 PRO 113 VAL 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DOC "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Neural Cell Adhesion Molecule 2" 100.00 119 100.00 100.00 4.78e-79 PDB 2XYC "Crystal Structure Of Ncam2 Igiv-Fn3i" 92.44 291 97.27 98.18 2.00e-68 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 P050719-17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM Fibronectin type-III domain, U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9742 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 Bruker _Model AVANCE _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 $XWINNMR $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 'Fibronectin type-III 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 4.526 0.030 1 2 6 6 SER HB2 H 3.927 0.030 1 3 6 6 SER HB3 H 3.927 0.030 1 4 6 6 SER C C 175.186 0.300 1 5 6 6 SER CA C 58.753 0.300 1 6 6 6 SER CB C 63.979 0.300 1 7 7 7 GLY H H 8.512 0.030 1 8 7 7 GLY HA2 H 4.027 0.030 2 9 7 7 GLY HA3 H 3.973 0.030 2 10 7 7 GLY C C 174.517 0.300 1 11 7 7 GLY CA C 45.588 0.300 1 12 7 7 GLY N N 110.921 0.300 1 13 8 8 GLN H H 8.246 0.030 1 14 8 8 GLN HA H 4.276 0.030 1 15 8 8 GLN HB2 H 2.061 0.030 2 16 8 8 GLN HB3 H 1.937 0.030 2 17 8 8 GLN HE21 H 7.491 0.030 2 18 8 8 GLN HE22 H 6.836 0.030 2 19 8 8 GLN HG2 H 2.299 0.030 1 20 8 8 GLN HG3 H 2.299 0.030 1 21 8 8 GLN C C 176.227 0.300 1 22 8 8 GLN CA C 56.203 0.300 1 23 8 8 GLN CB C 29.338 0.300 1 24 8 8 GLN CG C 33.780 0.300 1 25 8 8 GLN N N 119.847 0.300 1 26 8 8 GLN NE2 N 112.234 0.300 1 27 9 9 GLU H H 8.643 0.030 1 28 9 9 GLU HA H 4.134 0.030 1 29 9 9 GLU HB2 H 1.926 0.030 2 30 9 9 GLU HB3 H 1.884 0.030 2 31 9 9 GLU HG2 H 2.202 0.030 2 32 9 9 GLU HG3 H 2.138 0.030 2 33 9 9 GLU C C 176.711 0.300 1 34 9 9 GLU CA C 57.597 0.300 1 35 9 9 GLU CB C 29.870 0.300 1 36 9 9 GLU CG C 36.330 0.300 1 37 9 9 GLU N N 121.514 0.300 1 38 10 10 TYR H H 8.075 0.030 1 39 10 10 TYR HA H 4.529 0.030 1 40 10 10 TYR HB2 H 3.046 0.030 2 41 10 10 TYR HB3 H 2.929 0.030 2 42 10 10 TYR HD1 H 7.083 0.030 1 43 10 10 TYR HD2 H 7.083 0.030 1 44 10 10 TYR HE1 H 6.783 0.030 1 45 10 10 TYR HE2 H 6.783 0.030 1 46 10 10 TYR C C 175.830 0.300 1 47 10 10 TYR CA C 58.222 0.300 1 48 10 10 TYR CB C 38.555 0.300 1 49 10 10 TYR CD1 C 133.050 0.300 1 50 10 10 TYR CD2 C 133.050 0.300 1 51 10 10 TYR CE1 C 118.238 0.300 1 52 10 10 TYR CE2 C 118.238 0.300 1 53 10 10 TYR N N 120.735 0.300 1 54 11 11 ILE H H 7.831 0.030 1 55 11 11 ILE HA H 3.978 0.030 1 56 11 11 ILE HB H 1.812 0.030 1 57 11 11 ILE HD1 H 0.829 0.030 1 58 11 11 ILE HG12 H 1.423 0.030 2 59 11 11 ILE HG13 H 1.134 0.030 2 60 11 11 ILE HG2 H 0.854 0.030 1 61 11 11 ILE C C 176.794 0.300 1 62 11 11 ILE CA C 61.543 0.300 1 63 11 11 ILE CB C 38.405 0.300 1 64 11 11 ILE CD1 C 12.759 0.300 1 65 11 11 ILE CG1 C 27.570 0.300 1 66 11 11 ILE CG2 C 17.620 0.300 1 67 11 11 ILE N N 121.910 0.300 1 68 12 12 LEU H H 8.105 0.030 1 69 12 12 LEU HA H 4.102 0.030 1 70 12 12 LEU HB2 H 1.620 0.030 2 71 12 12 LEU HB3 H 1.525 0.030 2 72 12 12 LEU HD1 H 0.872 0.030 1 73 12 12 LEU HD2 H 0.808 0.030 1 74 12 12 LEU HG H 1.598 0.030 1 75 12 12 LEU C C 177.714 0.300 1 76 12 12 LEU CA C 56.194 0.300 1 77 12 12 LEU CB C 41.978 0.300 1 78 12 12 LEU CD1 C 24.762 0.300 2 79 12 12 LEU CD2 C 23.756 0.300 2 80 12 12 LEU CG C 27.046 0.300 1 81 12 12 LEU N N 124.948 0.300 1 82 13 13 ALA H H 8.056 0.030 1 83 13 13 ALA HA H 4.183 0.030 1 84 13 13 ALA HB H 1.372 0.030 1 85 13 13 ALA C C 178.031 0.300 1 86 13 13 ALA CA C 53.369 0.300 1 87 13 13 ALA CB C 18.887 0.300 1 88 13 13 ALA N N 122.876 0.300 1 89 14 14 LEU H H 7.717 0.030 1 90 14 14 LEU HA H 4.306 0.030 1 91 14 14 LEU HB2 H 1.596 0.030 1 92 14 14 LEU HB3 H 1.596 0.030 1 93 14 14 LEU HD1 H 0.868 0.030 1 94 14 14 LEU HD2 H 0.819 0.030 1 95 14 14 LEU HG H 1.581 0.030 1 96 14 14 LEU C C 176.830 0.300 1 97 14 14 LEU CA C 54.764 0.300 1 98 14 14 LEU CB C 42.371 0.300 1 99 14 14 LEU CD1 C 25.036 0.300 2 100 14 14 LEU CD2 C 23.107 0.300 2 101 14 14 LEU CG C 26.954 0.300 1 102 14 14 LEU N N 118.970 0.300 1 103 15 15 ALA H H 7.727 0.030 1 104 15 15 ALA HA H 4.447 0.030 1 105 15 15 ALA HB H 1.349 0.030 1 106 15 15 ALA C C 175.878 0.300 1 107 15 15 ALA CA C 52.091 0.300 1 108 15 15 ALA CB C 20.558 0.300 1 109 15 15 ALA N N 123.397 0.300 1 110 16 16 ASP H H 8.642 0.030 1 111 16 16 ASP HA H 4.824 0.030 1 112 16 16 ASP HB2 H 2.774 0.030 2 113 16 16 ASP HB3 H 2.544 0.030 2 114 16 16 ASP C C 175.939 0.300 1 115 16 16 ASP CA C 52.877 0.300 1 116 16 16 ASP CB C 43.545 0.300 1 117 16 16 ASP N N 120.120 0.300 1 118 17 17 VAL H H 8.062 0.030 1 119 17 17 VAL HA H 4.437 0.030 1 120 17 17 VAL HB H 1.772 0.030 1 121 17 17 VAL HG1 H 0.630 0.030 1 122 17 17 VAL HG2 H 0.812 0.030 1 123 17 17 VAL C C 172.998 0.300 1 124 17 17 VAL CA C 59.770 0.300 1 125 17 17 VAL CB C 30.172 0.300 1 126 17 17 VAL CG1 C 21.463 0.300 2 127 17 17 VAL CG2 C 17.880 0.300 2 128 17 17 VAL N N 112.134 0.300 1 129 18 18 PRO HA H 4.256 0.030 1 130 18 18 PRO HB2 H 2.375 0.030 2 131 18 18 PRO HB3 H 2.041 0.030 2 132 18 18 PRO HD2 H 3.631 0.030 2 133 18 18 PRO HD3 H 3.118 0.030 2 134 18 18 PRO HG2 H 1.745 0.030 2 135 18 18 PRO HG3 H 1.480 0.030 2 136 18 18 PRO CA C 62.405 0.300 1 137 18 18 PRO CB C 33.416 0.300 1 138 18 18 PRO CD C 50.321 0.300 1 139 18 18 PRO CG C 28.351 0.300 1 140 19 19 SER H H 8.295 0.030 1 141 19 19 SER HA H 4.640 0.030 1 142 19 19 SER HB2 H 4.510 0.030 2 143 19 19 SER HB3 H 3.991 0.030 2 144 19 19 SER CA C 58.353 0.300 1 145 19 19 SER CB C 63.817 0.300 1 146 19 19 SER N N 113.871 0.300 1 147 20 20 SER H H 8.617 0.030 1 148 20 20 SER HA H 4.776 0.030 1 149 20 20 SER HB2 H 3.766 0.030 2 150 20 20 SER HB3 H 3.713 0.030 2 151 20 20 SER CA C 57.305 0.300 1 152 20 20 SER CB C 63.586 0.300 1 153 20 20 SER N N 114.326 0.300 1 154 21 21 PRO HA H 4.527 0.030 1 155 21 21 PRO HB2 H 2.441 0.030 2 156 21 21 PRO HB3 H 1.317 0.030 2 157 21 21 PRO HD2 H 3.720 0.030 1 158 21 21 PRO HD3 H 3.720 0.030 1 159 21 21 PRO HG2 H 1.640 0.030 2 160 21 21 PRO HG3 H 1.591 0.030 2 161 21 21 PRO CA C 62.844 0.300 1 162 21 21 PRO CB C 32.112 0.300 1 163 21 21 PRO CD C 50.844 0.300 1 164 21 21 PRO CG C 28.602 0.300 1 165 22 22 TYR H H 7.213 0.030 1 166 22 22 TYR HA H 5.144 0.030 1 167 22 22 TYR HB2 H 3.177 0.030 2 168 22 22 TYR HB3 H 3.093 0.030 2 169 22 22 TYR HD1 H 7.105 0.030 1 170 22 22 TYR HD2 H 7.105 0.030 1 171 22 22 TYR HE1 H 6.852 0.030 1 172 22 22 TYR HE2 H 6.852 0.030 1 173 22 22 TYR CA C 55.775 0.300 1 174 22 22 TYR CB C 39.082 0.300 1 175 22 22 TYR CD1 C 133.826 0.300 1 176 22 22 TYR CD2 C 133.826 0.300 1 177 22 22 TYR CE1 C 119.004 0.300 1 178 22 22 TYR CE2 C 119.004 0.300 1 179 22 22 TYR N N 113.521 0.300 1 180 23 23 GLY H H 9.108 0.030 1 181 23 23 GLY HA2 H 3.952 0.030 2 182 23 23 GLY HA3 H 3.794 0.030 2 183 23 23 GLY C C 174.851 0.300 1 184 23 23 GLY CA C 47.236 0.300 1 185 23 23 GLY N N 110.361 0.300 1 186 24 24 VAL H H 7.741 0.030 1 187 24 24 VAL HA H 4.279 0.030 1 188 24 24 VAL HB H 2.169 0.030 1 189 24 24 VAL HG1 H 0.885 0.030 1 190 24 24 VAL HG2 H 0.734 0.030 1 191 24 24 VAL C C 176.260 0.300 1 192 24 24 VAL CA C 63.549 0.300 1 193 24 24 VAL CB C 31.117 0.300 1 194 24 24 VAL CG1 C 21.053 0.300 2 195 24 24 VAL CG2 C 21.457 0.300 2 196 24 24 VAL N N 119.135 0.300 1 197 25 25 LYS H H 9.260 0.030 1 198 25 25 LYS HA H 4.578 0.030 1 199 25 25 LYS HB2 H 1.654 0.030 2 200 25 25 LYS HB3 H 1.564 0.030 2 201 25 25 LYS HD2 H 1.581 0.030 1 202 25 25 LYS HD3 H 1.581 0.030 1 203 25 25 LYS HE2 H 2.883 0.030 1 204 25 25 LYS HE3 H 2.883 0.030 1 205 25 25 LYS HG2 H 1.285 0.030 1 206 25 25 LYS HG3 H 1.285 0.030 1 207 25 25 LYS C C 173.857 0.300 1 208 25 25 LYS CA C 54.886 0.300 1 209 25 25 LYS CB C 36.256 0.300 1 210 25 25 LYS CD C 29.104 0.300 1 211 25 25 LYS CE C 42.093 0.300 1 212 25 25 LYS CG C 24.130 0.300 1 213 25 25 LYS N N 127.695 0.300 1 214 26 26 ILE H H 8.710 0.030 1 215 26 26 ILE HA H 4.609 0.030 1 216 26 26 ILE HB H 1.902 0.030 1 217 26 26 ILE HD1 H 0.388 0.030 1 218 26 26 ILE HG12 H 1.184 0.030 2 219 26 26 ILE HG13 H 0.903 0.030 2 220 26 26 ILE HG2 H 0.419 0.030 1 221 26 26 ILE C C 176.717 0.300 1 222 26 26 ILE CA C 59.494 0.300 1 223 26 26 ILE CB C 35.750 0.300 1 224 26 26 ILE CD1 C 12.144 0.300 1 225 26 26 ILE CG1 C 28.085 0.300 1 226 26 26 ILE CG2 C 19.648 0.300 1 227 26 26 ILE N N 124.041 0.300 1 228 27 27 ILE H H 8.651 0.030 1 229 27 27 ILE HA H 4.435 0.030 1 230 27 27 ILE HB H 1.962 0.030 1 231 27 27 ILE HD1 H 0.769 0.030 1 232 27 27 ILE HG12 H 1.165 0.030 2 233 27 27 ILE HG13 H 0.884 0.030 2 234 27 27 ILE HG2 H 0.839 0.030 1 235 27 27 ILE C C 175.267 0.300 1 236 27 27 ILE CA C 61.048 0.300 1 237 27 27 ILE CB C 39.943 0.300 1 238 27 27 ILE CD1 C 13.425 0.300 1 239 27 27 ILE CG1 C 26.311 0.300 1 240 27 27 ILE CG2 C 18.377 0.300 1 241 27 27 ILE N N 122.151 0.300 1 242 28 28 GLU H H 7.762 0.030 1 243 28 28 GLU HA H 4.242 0.030 1 244 28 28 GLU HB2 H 1.906 0.030 2 245 28 28 GLU HB3 H 1.818 0.030 2 246 28 28 GLU HG2 H 2.202 0.030 2 247 28 28 GLU HG3 H 2.129 0.030 2 248 28 28 GLU C C 174.366 0.300 1 249 28 28 GLU CA C 56.418 0.300 1 250 28 28 GLU CB C 31.786 0.300 1 251 28 28 GLU CG C 36.737 0.300 1 252 28 28 GLU N N 118.671 0.300 1 253 29 29 LEU H H 8.318 0.030 1 254 29 29 LEU HA H 4.667 0.030 1 255 29 29 LEU HB2 H 1.681 0.030 2 256 29 29 LEU HB3 H 1.450 0.030 2 257 29 29 LEU HD1 H 1.041 0.030 1 258 29 29 LEU HD2 H 1.087 0.030 1 259 29 29 LEU HG H 1.627 0.030 1 260 29 29 LEU C C 175.657 0.300 1 261 29 29 LEU CA C 55.394 0.300 1 262 29 29 LEU CB C 45.833 0.300 1 263 29 29 LEU CD1 C 25.891 0.300 2 264 29 29 LEU CD2 C 25.010 0.300 2 265 29 29 LEU CG C 27.164 0.300 1 266 29 29 LEU N N 123.658 0.300 1 267 30 30 SER H H 8.700 0.030 1 268 30 30 SER HA H 4.817 0.030 1 269 30 30 SER HB2 H 4.173 0.030 2 270 30 30 SER HB3 H 3.931 0.030 2 271 30 30 SER C C 173.683 0.300 1 272 30 30 SER CA C 56.807 0.300 1 273 30 30 SER CB C 65.136 0.300 1 274 30 30 SER N N 121.790 0.300 1 275 31 31 GLN H H 8.391 0.030 1 276 31 31 GLN HA H 4.654 0.030 1 277 31 31 GLN HB2 H 2.364 0.030 2 278 31 31 GLN HB3 H 1.887 0.030 2 279 31 31 GLN HE21 H 7.406 0.030 2 280 31 31 GLN HE22 H 7.084 0.030 2 281 31 31 GLN HG2 H 2.533 0.030 2 282 31 31 GLN HG3 H 2.355 0.030 2 283 31 31 GLN C C 175.766 0.300 1 284 31 31 GLN CA C 60.157 0.300 1 285 31 31 GLN CB C 29.142 0.300 1 286 31 31 GLN CG C 34.971 0.300 1 287 31 31 GLN N N 120.097 0.300 1 288 31 31 GLN NE2 N 111.919 0.300 1 289 32 32 THR H H 7.428 0.030 1 290 32 32 THR HA H 4.638 0.030 1 291 32 32 THR HB H 4.591 0.030 1 292 32 32 THR HG2 H 1.128 0.030 1 293 32 32 THR C C 174.396 0.300 1 294 32 32 THR CA C 60.138 0.300 1 295 32 32 THR CB C 71.592 0.300 1 296 32 32 THR CG2 C 21.164 0.300 1 297 32 32 THR N N 97.846 0.300 1 298 33 33 THR H H 7.268 0.030 1 299 33 33 THR HA H 5.367 0.030 1 300 33 33 THR HB H 4.081 0.030 1 301 33 33 THR HG2 H 1.145 0.030 1 302 33 33 THR C C 171.846 0.300 1 303 33 33 THR CA C 59.066 0.300 1 304 33 33 THR CB C 73.456 0.300 1 305 33 33 THR CG2 C 21.658 0.300 1 306 33 33 THR N N 112.024 0.300 1 307 34 34 ALA H H 8.316 0.030 1 308 34 34 ALA HA H 4.644 0.030 1 309 34 34 ALA HB H 0.810 0.030 1 310 34 34 ALA C C 174.739 0.300 1 311 34 34 ALA CA C 51.565 0.300 1 312 34 34 ALA CB C 23.221 0.300 1 313 34 34 ALA N N 119.959 0.300 1 314 35 35 LYS H H 8.434 0.030 1 315 35 35 LYS HA H 4.932 0.030 1 316 35 35 LYS HB2 H 1.614 0.030 2 317 35 35 LYS HB3 H 1.589 0.030 2 318 35 35 LYS HD2 H 1.648 0.030 2 319 35 35 LYS HD3 H 1.331 0.030 2 320 35 35 LYS HE2 H 2.774 0.030 1 321 35 35 LYS HE3 H 2.774 0.030 1 322 35 35 LYS HG2 H 1.165 0.030 2 323 35 35 LYS HG3 H 1.094 0.030 2 324 35 35 LYS C C 173.952 0.300 1 325 35 35 LYS CA C 55.523 0.300 1 326 35 35 LYS CB C 34.987 0.300 1 327 35 35 LYS CD C 29.538 0.300 1 328 35 35 LYS CE C 41.846 0.300 1 329 35 35 LYS CG C 25.448 0.300 1 330 35 35 LYS N N 121.346 0.300 1 331 36 36 VAL H H 8.957 0.030 1 332 36 36 VAL HA H 4.794 0.030 1 333 36 36 VAL HB H 1.916 0.030 1 334 36 36 VAL HG1 H 0.729 0.030 1 335 36 36 VAL HG2 H 0.868 0.030 1 336 36 36 VAL C C 173.887 0.300 1 337 36 36 VAL CA C 60.045 0.300 1 338 36 36 VAL CB C 34.308 0.300 1 339 36 36 VAL CG1 C 21.317 0.300 2 340 36 36 VAL CG2 C 21.284 0.300 2 341 36 36 VAL N N 125.925 0.300 1 342 37 37 SER H H 9.094 0.030 1 343 37 37 SER HA H 5.165 0.030 1 344 37 37 SER HB2 H 3.645 0.030 2 345 37 37 SER HB3 H 3.475 0.030 2 346 37 37 SER C C 172.684 0.300 1 347 37 37 SER CA C 55.661 0.300 1 348 37 37 SER CB C 66.403 0.300 1 349 37 37 SER N N 120.501 0.300 1 350 38 38 PHE H H 7.075 0.030 1 351 38 38 PHE HA H 4.734 0.030 1 352 38 38 PHE HB2 H 3.041 0.030 2 353 38 38 PHE HB3 H 2.722 0.030 2 354 38 38 PHE HD1 H 6.433 0.030 1 355 38 38 PHE HD2 H 6.433 0.030 1 356 38 38 PHE HE1 H 6.364 0.030 1 357 38 38 PHE HE2 H 6.364 0.030 1 358 38 38 PHE HZ H 5.806 0.030 1 359 38 38 PHE C C 172.799 0.300 1 360 38 38 PHE CA C 55.484 0.300 1 361 38 38 PHE CB C 39.576 0.300 1 362 38 38 PHE CD1 C 131.790 0.300 1 363 38 38 PHE CD2 C 131.790 0.300 1 364 38 38 PHE CE1 C 129.179 0.300 1 365 38 38 PHE CE2 C 129.179 0.300 1 366 38 38 PHE N N 116.980 0.300 1 367 39 39 ASN H H 8.709 0.030 1 368 39 39 ASN HA H 4.730 0.030 1 369 39 39 ASN HB2 H 2.024 0.030 2 370 39 39 ASN HB3 H 1.270 0.030 2 371 39 39 ASN HD21 H 6.926 0.030 2 372 39 39 ASN HD22 H 6.444 0.030 2 373 39 39 ASN C C 174.426 0.300 1 374 39 39 ASN CA C 51.970 0.300 1 375 39 39 ASN CB C 39.535 0.300 1 376 39 39 ASN N N 115.925 0.300 1 377 39 39 ASN ND2 N 113.422 0.300 1 378 40 40 LYS H H 8.251 0.030 1 379 40 40 LYS HA H 4.498 0.030 1 380 40 40 LYS HB2 H 1.882 0.030 2 381 40 40 LYS HB3 H 1.714 0.030 2 382 40 40 LYS HD2 H 1.734 0.030 1 383 40 40 LYS HD3 H 1.734 0.030 1 384 40 40 LYS HE2 H 3.057 0.030 1 385 40 40 LYS HE3 H 3.057 0.030 1 386 40 40 LYS HG2 H 1.569 0.030 2 387 40 40 LYS HG3 H 1.451 0.030 2 388 40 40 LYS C C 173.176 0.300 1 389 40 40 LYS CA C 54.111 0.300 1 390 40 40 LYS CB C 32.244 0.300 1 391 40 40 LYS CD C 29.557 0.300 1 392 40 40 LYS CE C 42.131 0.300 1 393 40 40 LYS CG C 23.049 0.300 1 394 40 40 LYS N N 121.002 0.300 1 395 41 41 PRO HA H 4.253 0.030 1 396 41 41 PRO HB2 H 2.211 0.030 2 397 41 41 PRO HB3 H 1.740 0.030 2 398 41 41 PRO HD2 H 3.859 0.030 1 399 41 41 PRO HD3 H 3.859 0.030 1 400 41 41 PRO HG2 H 1.878 0.030 2 401 41 41 PRO HG3 H 1.758 0.030 2 402 41 41 PRO C C 176.481 0.300 1 403 41 41 PRO CA C 62.315 0.300 1 404 41 41 PRO CB C 33.452 0.300 1 405 41 41 PRO CD C 50.983 0.300 1 406 41 41 PRO CG C 28.354 0.300 1 407 42 42 ASP H H 8.729 0.030 1 408 42 42 ASP HA H 4.504 0.030 1 409 42 42 ASP HB2 H 2.718 0.030 2 410 42 42 ASP HB3 H 2.480 0.030 2 411 42 42 ASP C C 176.470 0.300 1 412 42 42 ASP CA C 56.423 0.300 1 413 42 42 ASP CB C 40.870 0.300 1 414 42 42 ASP N N 120.380 0.300 1 415 43 43 SER H H 7.868 0.030 1 416 43 43 SER HA H 4.766 0.030 1 417 43 43 SER HB2 H 3.714 0.030 1 418 43 43 SER HB3 H 3.714 0.030 1 419 43 43 SER C C 174.404 0.300 1 420 43 43 SER CA C 56.137 0.300 1 421 43 43 SER CB C 64.531 0.300 1 422 43 43 SER N N 111.810 0.300 1 423 44 44 HIS HA H 4.531 0.030 1 424 44 44 HIS HB2 H 3.576 0.030 2 425 44 44 HIS HB3 H 3.072 0.030 2 426 44 44 HIS HD2 H 6.874 0.030 1 427 44 44 HIS HE1 H 7.686 0.030 1 428 44 44 HIS CA C 55.644 0.300 1 429 44 44 HIS CB C 30.132 0.300 1 430 44 44 HIS CD2 C 119.539 0.300 1 431 44 44 HIS CE1 C 138.607 0.300 1 432 45 45 GLY H H 7.909 0.030 1 433 45 45 GLY HA2 H 3.938 0.030 2 434 45 45 GLY HA3 H 3.456 0.030 2 435 45 45 GLY CA C 45.461 0.300 1 436 45 45 GLY N N 105.784 0.300 1 437 46 46 GLY H H 9.177 0.030 1 438 46 46 GLY HA2 H 4.352 0.030 2 439 46 46 GLY HA3 H 3.678 0.030 2 440 46 46 GLY CA C 45.254 0.300 1 441 46 46 GLY N N 109.176 0.300 1 442 47 47 VAL H H 7.250 0.030 1 443 47 47 VAL HA H 4.538 0.030 1 444 47 47 VAL HB H 2.168 0.030 1 445 47 47 VAL HG1 H 0.875 0.030 1 446 47 47 VAL HG2 H 0.702 0.030 1 447 47 47 VAL CA C 58.478 0.300 1 448 47 47 VAL CB C 33.301 0.300 1 449 47 47 VAL CG1 C 22.662 0.300 2 450 47 47 VAL CG2 C 19.478 0.300 2 451 47 47 VAL N N 115.267 0.300 1 452 48 48 PRO HA H 4.108 0.030 1 453 48 48 PRO HB2 H 2.203 0.030 2 454 48 48 PRO HB3 H 1.716 0.030 2 455 48 48 PRO HD2 H 3.593 0.030 2 456 48 48 PRO HD3 H 3.497 0.030 2 457 48 48 PRO HG2 H 1.978 0.030 2 458 48 48 PRO HG3 H 1.829 0.030 2 459 48 48 PRO C C 177.702 0.300 1 460 48 48 PRO CA C 63.326 0.300 1 461 48 48 PRO CB C 32.408 0.300 1 462 48 48 PRO CD C 50.569 0.300 1 463 48 48 PRO CG C 27.724 0.300 1 464 49 49 ILE H H 8.405 0.030 1 465 49 49 ILE HA H 3.381 0.030 1 466 49 49 ILE HB H 1.546 0.030 1 467 49 49 ILE HD1 H 0.846 0.030 1 468 49 49 ILE HG12 H 1.840 0.030 2 469 49 49 ILE HG13 H 0.760 0.030 2 470 49 49 ILE HG2 H 0.354 0.030 1 471 49 49 ILE C C 175.059 0.300 1 472 49 49 ILE CA C 63.430 0.300 1 473 49 49 ILE CB C 38.846 0.300 1 474 49 49 ILE CD1 C 13.518 0.300 1 475 49 49 ILE CG1 C 30.096 0.300 1 476 49 49 ILE CG2 C 16.973 0.300 1 477 49 49 ILE N N 121.881 0.300 1 478 50 50 HIS H H 9.363 0.030 1 479 50 50 HIS HA H 4.467 0.030 1 480 50 50 HIS HB2 H 3.012 0.030 2 481 50 50 HIS HB3 H 2.902 0.030 2 482 50 50 HIS HD2 H 7.041 0.030 1 483 50 50 HIS C C 174.373 0.300 1 484 50 50 HIS CA C 57.990 0.300 1 485 50 50 HIS CB C 32.269 0.300 1 486 50 50 HIS CD2 C 119.278 0.300 1 487 50 50 HIS N N 126.398 0.300 1 488 51 51 HIS H H 7.419 0.030 1 489 51 51 HIS HA H 4.491 0.030 1 490 51 51 HIS HB2 H 3.387 0.030 2 491 51 51 HIS HB3 H 3.249 0.030 2 492 51 51 HIS HD2 H 6.745 0.030 1 493 51 51 HIS HE1 H 7.876 0.030 1 494 51 51 HIS C C 170.839 0.300 1 495 51 51 HIS CA C 55.905 0.300 1 496 51 51 HIS CB C 30.025 0.300 1 497 51 51 HIS CD2 C 119.778 0.300 1 498 51 51 HIS CE1 C 137.657 0.300 1 499 51 51 HIS N N 110.914 0.300 1 500 52 52 TYR H H 8.986 0.030 1 501 52 52 TYR HA H 5.095 0.030 1 502 52 52 TYR HB2 H 2.662 0.030 2 503 52 52 TYR HB3 H 2.597 0.030 2 504 52 52 TYR HD1 H 6.951 0.030 1 505 52 52 TYR HD2 H 6.951 0.030 1 506 52 52 TYR HE1 H 6.561 0.030 1 507 52 52 TYR HE2 H 6.561 0.030 1 508 52 52 TYR C C 174.512 0.300 1 509 52 52 TYR CA C 56.960 0.300 1 510 52 52 TYR CB C 41.364 0.300 1 511 52 52 TYR CD1 C 133.709 0.300 1 512 52 52 TYR CD2 C 133.709 0.300 1 513 52 52 TYR CE1 C 117.224 0.300 1 514 52 52 TYR CE2 C 117.224 0.300 1 515 52 52 TYR N N 115.517 0.300 1 516 53 53 GLN H H 9.574 0.030 1 517 53 53 GLN HA H 5.023 0.030 1 518 53 53 GLN HB2 H 1.841 0.030 2 519 53 53 GLN HB3 H 1.808 0.030 2 520 53 53 GLN HE21 H 9.317 0.030 2 521 53 53 GLN HE22 H 6.704 0.030 2 522 53 53 GLN HG2 H 2.390 0.030 2 523 53 53 GLN HG3 H 2.101 0.030 2 524 53 53 GLN C C 173.164 0.300 1 525 53 53 GLN CA C 54.935 0.300 1 526 53 53 GLN CB C 32.670 0.300 1 527 53 53 GLN CG C 35.172 0.300 1 528 53 53 GLN N N 123.436 0.300 1 529 53 53 GLN NE2 N 116.096 0.300 1 530 54 54 VAL H H 9.381 0.030 1 531 54 54 VAL HA H 4.625 0.030 1 532 54 54 VAL HB H 2.109 0.030 1 533 54 54 VAL HG1 H 0.866 0.030 1 534 54 54 VAL HG2 H 0.818 0.030 1 535 54 54 VAL C C 173.045 0.300 1 536 54 54 VAL CA C 61.166 0.300 1 537 54 54 VAL CB C 33.079 0.300 1 538 54 54 VAL CG1 C 21.935 0.300 2 539 54 54 VAL CG2 C 21.702 0.300 2 540 54 54 VAL N N 127.040 0.300 1 541 55 55 ASP H H 8.918 0.030 1 542 55 55 ASP HA H 5.839 0.030 1 543 55 55 ASP HB2 H 2.432 0.030 2 544 55 55 ASP HB3 H 2.045 0.030 2 545 55 55 ASP C C 175.308 0.300 1 546 55 55 ASP CA C 51.731 0.300 1 547 55 55 ASP CB C 41.364 0.300 1 548 55 55 ASP N N 128.821 0.300 1 549 56 56 VAL H H 9.628 0.030 1 550 56 56 VAL HA H 5.869 0.030 1 551 56 56 VAL HB H 1.977 0.030 1 552 56 56 VAL HG1 H 0.947 0.030 1 553 56 56 VAL HG2 H 0.961 0.030 1 554 56 56 VAL C C 174.666 0.300 1 555 56 56 VAL CA C 59.006 0.300 1 556 56 56 VAL CB C 35.983 0.300 1 557 56 56 VAL CG1 C 19.672 0.300 2 558 56 56 VAL CG2 C 21.970 0.300 2 559 56 56 VAL N N 121.085 0.300 1 560 57 57 LYS H H 9.019 0.030 1 561 57 57 LYS HA H 4.771 0.030 1 562 57 57 LYS HB2 H 1.316 0.030 2 563 57 57 LYS HB3 H 1.037 0.030 2 564 57 57 LYS HD2 H 0.293 0.030 2 565 57 57 LYS HD3 H -0.911 0.030 2 566 57 57 LYS HE2 H 2.170 0.030 2 567 57 57 LYS HE3 H 1.562 0.030 2 568 57 57 LYS HG2 H 0.506 0.030 2 569 57 57 LYS HG3 H -0.051 0.030 2 570 57 57 LYS C C 174.659 0.300 1 571 57 57 LYS CA C 55.424 0.300 1 572 57 57 LYS CB C 37.017 0.300 1 573 57 57 LYS CD C 27.965 0.300 1 574 57 57 LYS CE C 40.846 0.300 1 575 57 57 LYS CG C 20.675 0.300 1 576 57 57 LYS N N 124.915 0.300 1 577 58 58 GLU H H 9.023 0.030 1 578 58 58 GLU HA H 4.024 0.030 1 579 58 58 GLU HB2 H 1.844 0.030 2 580 58 58 GLU HB3 H 1.643 0.030 2 581 58 58 GLU HG2 H 2.065 0.030 2 582 58 58 GLU HG3 H 1.976 0.030 2 583 58 58 GLU C C 178.871 0.300 1 584 58 58 GLU CA C 56.938 0.300 1 585 58 58 GLU CB C 28.841 0.300 1 586 58 58 GLU CG C 36.767 0.300 1 587 58 58 GLU N N 124.584 0.300 1 588 59 59 VAL H H 7.855 0.030 1 589 59 59 VAL HA H 3.658 0.030 1 590 59 59 VAL HB H 1.741 0.030 1 591 59 59 VAL HG1 H 0.778 0.030 1 592 59 59 VAL HG2 H 0.776 0.030 1 593 59 59 VAL C C 176.786 0.300 1 594 59 59 VAL CA C 65.576 0.300 1 595 59 59 VAL CB C 31.639 0.300 1 596 59 59 VAL CG1 C 21.535 0.300 2 597 59 59 VAL CG2 C 21.186 0.300 2 598 59 59 VAL N N 123.394 0.300 1 599 60 60 ALA H H 7.910 0.030 1 600 60 60 ALA HA H 4.190 0.030 1 601 60 60 ALA HB H 1.335 0.030 1 602 60 60 ALA C C 177.313 0.300 1 603 60 60 ALA CA C 52.488 0.300 1 604 60 60 ALA CB C 18.747 0.300 1 605 60 60 ALA N N 119.013 0.300 1 606 61 61 SER H H 7.552 0.030 1 607 61 61 SER HA H 4.484 0.030 1 608 61 61 SER HB2 H 3.833 0.030 2 609 61 61 SER HB3 H 3.750 0.030 2 610 61 61 SER C C 173.737 0.300 1 611 61 61 SER CA C 56.895 0.300 1 612 61 61 SER CB C 64.849 0.300 1 613 61 61 SER N N 113.922 0.300 1 614 62 62 GLU H H 8.584 0.030 1 615 62 62 GLU HA H 4.335 0.030 1 616 62 62 GLU HB2 H 2.174 0.030 2 617 62 62 GLU HB3 H 1.811 0.030 2 618 62 62 GLU HG2 H 2.250 0.030 2 619 62 62 GLU HG3 H 2.154 0.030 2 620 62 62 GLU C C 176.276 0.300 1 621 62 62 GLU CA C 56.194 0.300 1 622 62 62 GLU CB C 31.148 0.300 1 623 62 62 GLU CG C 36.271 0.300 1 624 62 62 GLU N N 120.299 0.300 1 625 63 63 ILE H H 7.771 0.030 1 626 63 63 ILE HA H 4.265 0.030 1 627 63 63 ILE HB H 1.757 0.030 1 628 63 63 ILE HD1 H 0.848 0.030 1 629 63 63 ILE HG12 H 1.461 0.030 2 630 63 63 ILE HG13 H 1.165 0.030 2 631 63 63 ILE HG2 H 0.901 0.030 1 632 63 63 ILE C C 175.056 0.300 1 633 63 63 ILE CA C 59.982 0.300 1 634 63 63 ILE CB C 39.336 0.300 1 635 63 63 ILE CD1 C 12.264 0.300 1 636 63 63 ILE CG1 C 27.046 0.300 1 637 63 63 ILE CG2 C 17.355 0.300 1 638 63 63 ILE N N 120.142 0.300 1 639 64 64 TRP H H 8.517 0.030 1 640 64 64 TRP HA H 4.455 0.030 1 641 64 64 TRP HB2 H 2.977 0.030 2 642 64 64 TRP HB3 H 2.945 0.030 2 643 64 64 TRP HD1 H 7.259 0.030 1 644 64 64 TRP HE1 H 10.036 0.030 1 645 64 64 TRP HE3 H 7.210 0.030 1 646 64 64 TRP HH2 H 6.691 0.030 1 647 64 64 TRP HZ2 H 7.200 0.030 1 648 64 64 TRP HZ3 H 6.878 0.030 1 649 64 64 TRP C C 176.490 0.300 1 650 64 64 TRP CA C 57.496 0.300 1 651 64 64 TRP CB C 29.693 0.300 1 652 64 64 TRP CD1 C 128.335 0.300 1 653 64 64 TRP CE3 C 120.904 0.300 1 654 64 64 TRP CH2 C 123.448 0.300 1 655 64 64 TRP CZ2 C 114.159 0.300 1 656 64 64 TRP CZ3 C 122.105 0.300 1 657 64 64 TRP N N 127.281 0.300 1 658 64 64 TRP NE1 N 130.256 0.300 1 659 65 65 LYS H H 9.327 0.030 1 660 65 65 LYS HA H 4.673 0.030 1 661 65 65 LYS HB2 H 2.000 0.030 1 662 65 65 LYS HB3 H 2.000 0.030 1 663 65 65 LYS HD2 H 1.755 0.030 1 664 65 65 LYS HD3 H 1.755 0.030 1 665 65 65 LYS HE2 H 3.050 0.030 1 666 65 65 LYS HE3 H 3.050 0.030 1 667 65 65 LYS HG2 H 1.632 0.030 2 668 65 65 LYS HG3 H 1.486 0.030 2 669 65 65 LYS C C 175.384 0.300 1 670 65 65 LYS CA C 55.866 0.300 1 671 65 65 LYS CB C 33.461 0.300 1 672 65 65 LYS CD C 29.321 0.300 1 673 65 65 LYS CE C 42.254 0.300 1 674 65 65 LYS CG C 25.652 0.300 1 675 65 65 LYS N N 125.687 0.300 1 676 66 66 ILE H H 8.332 0.030 1 677 66 66 ILE HA H 4.954 0.030 1 678 66 66 ILE HB H 1.690 0.030 1 679 66 66 ILE HD1 H 0.825 0.030 1 680 66 66 ILE HG12 H 1.495 0.030 2 681 66 66 ILE HG13 H 1.224 0.030 2 682 66 66 ILE HG2 H 0.804 0.030 1 683 66 66 ILE C C 176.734 0.300 1 684 66 66 ILE CA C 61.410 0.300 1 685 66 66 ILE CB C 40.343 0.300 1 686 66 66 ILE CD1 C 13.766 0.300 1 687 66 66 ILE CG1 C 27.076 0.300 1 688 66 66 ILE CG2 C 17.950 0.300 1 689 66 66 ILE N N 122.212 0.300 1 690 67 67 VAL H H 9.639 0.030 1 691 67 67 VAL HA H 4.348 0.030 1 692 67 67 VAL HB H 2.068 0.030 1 693 67 67 VAL HG1 H 0.954 0.030 1 694 67 67 VAL HG2 H 0.949 0.030 1 695 67 67 VAL C C 174.637 0.300 1 696 67 67 VAL CA C 61.616 0.300 1 697 67 67 VAL CB C 34.723 0.300 1 698 67 67 VAL CG1 C 21.289 0.300 2 699 67 67 VAL CG2 C 20.931 0.300 2 700 67 67 VAL N N 129.761 0.300 1 701 68 68 ARG H H 8.603 0.030 1 702 68 68 ARG HA H 5.335 0.030 1 703 68 68 ARG HB2 H 1.826 0.030 2 704 68 68 ARG HB3 H 1.698 0.030 2 705 68 68 ARG HD2 H 2.925 0.030 2 706 68 68 ARG HD3 H 2.801 0.030 2 707 68 68 ARG HG2 H 1.664 0.030 2 708 68 68 ARG HG3 H 1.583 0.030 2 709 68 68 ARG C C 177.034 0.300 1 710 68 68 ARG CA C 55.154 0.300 1 711 68 68 ARG CB C 32.457 0.300 1 712 68 68 ARG CD C 43.412 0.300 1 713 68 68 ARG CG C 28.405 0.300 1 714 68 68 ARG N N 124.304 0.300 1 715 69 69 SER H H 9.118 0.030 1 716 69 69 SER HA H 4.480 0.030 1 717 69 69 SER HB2 H 4.610 0.030 2 718 69 69 SER HB3 H 3.952 0.030 2 719 69 69 SER C C 173.169 0.300 1 720 69 69 SER CA C 58.459 0.300 1 721 69 69 SER CB C 64.756 0.300 1 722 69 69 SER N N 117.706 0.300 1 723 70 70 HIS H H 8.935 0.030 1 724 70 70 HIS HA H 4.819 0.030 1 725 70 70 HIS HB2 H 3.224 0.030 2 726 70 70 HIS HB3 H 3.100 0.030 2 727 70 70 HIS HD2 H 7.057 0.030 1 728 70 70 HIS C C 175.886 0.300 1 729 70 70 HIS CA C 55.672 0.300 1 730 70 70 HIS CB C 29.534 0.300 1 731 70 70 HIS CD2 C 119.430 0.300 1 732 70 70 HIS N N 120.924 0.300 1 733 71 71 GLY H H 8.250 0.030 1 734 71 71 GLY HA2 H 4.086 0.030 2 735 71 71 GLY HA3 H 3.956 0.030 2 736 71 71 GLY C C 174.796 0.300 1 737 71 71 GLY CA C 46.096 0.300 1 738 71 71 GLY N N 113.208 0.300 1 739 72 72 VAL H H 8.347 0.030 1 740 72 72 VAL HA H 4.276 0.030 1 741 72 72 VAL HB H 2.452 0.030 1 742 72 72 VAL HG1 H 0.748 0.030 1 743 72 72 VAL HG2 H 0.890 0.030 1 744 72 72 VAL C C 176.259 0.300 1 745 72 72 VAL CA C 61.536 0.300 1 746 72 72 VAL CB C 30.489 0.300 1 747 72 72 VAL CG1 C 22.202 0.300 2 748 72 72 VAL CG2 C 18.383 0.300 2 749 72 72 VAL N N 116.870 0.300 1 750 73 73 GLN H H 7.725 0.030 1 751 73 73 GLN HA H 4.347 0.030 1 752 73 73 GLN HB2 H 2.231 0.030 1 753 73 73 GLN HB3 H 2.231 0.030 1 754 73 73 GLN HE21 H 7.644 0.030 2 755 73 73 GLN HE22 H 6.963 0.030 2 756 73 73 GLN HG2 H 2.612 0.030 2 757 73 73 GLN HG3 H 2.500 0.030 2 758 73 73 GLN C C 176.022 0.300 1 759 73 73 GLN CA C 56.948 0.300 1 760 73 73 GLN CB C 29.676 0.300 1 761 73 73 GLN CG C 34.265 0.300 1 762 73 73 GLN N N 122.902 0.300 1 763 73 73 GLN NE2 N 112.234 0.300 1 764 74 74 THR H H 7.856 0.030 1 765 74 74 THR HA H 3.513 0.030 1 766 74 74 THR HB H 3.873 0.030 1 767 74 74 THR HG2 H 0.834 0.030 1 768 74 74 THR C C 172.621 0.300 1 769 74 74 THR CA C 59.252 0.300 1 770 74 74 THR CB C 66.115 0.300 1 771 74 74 THR CG2 C 20.822 0.300 1 772 74 74 THR N N 112.556 0.300 1 773 75 75 MET H H 6.848 0.030 1 774 75 75 MET HA H 5.182 0.030 1 775 75 75 MET HB2 H 1.756 0.030 2 776 75 75 MET HB3 H 1.700 0.030 2 777 75 75 MET HE H 1.916 0.030 1 778 75 75 MET HG2 H 2.283 0.030 2 779 75 75 MET HG3 H 2.237 0.030 2 780 75 75 MET C C 175.421 0.300 1 781 75 75 MET CA C 54.375 0.300 1 782 75 75 MET CB C 35.353 0.300 1 783 75 75 MET CE C 16.950 0.300 1 784 75 75 MET CG C 31.546 0.300 1 785 75 75 MET N N 116.901 0.300 1 786 76 76 VAL H H 8.929 0.030 1 787 76 76 VAL HA H 4.360 0.030 1 788 76 76 VAL HB H 1.778 0.030 1 789 76 76 VAL HG1 H 0.830 0.030 1 790 76 76 VAL HG2 H 0.868 0.030 1 791 76 76 VAL C C 173.512 0.300 1 792 76 76 VAL CA C 61.040 0.300 1 793 76 76 VAL CB C 36.782 0.300 1 794 76 76 VAL CG1 C 21.411 0.300 2 795 76 76 VAL CG2 C 21.411 0.300 2 796 76 76 VAL N N 122.871 0.300 1 797 77 77 VAL H H 8.460 0.030 1 798 77 77 VAL HA H 4.360 0.030 1 799 77 77 VAL HB H 1.936 0.030 1 800 77 77 VAL HG1 H 0.794 0.030 1 801 77 77 VAL HG2 H 0.882 0.030 1 802 77 77 VAL C C 174.962 0.300 1 803 77 77 VAL CA C 62.364 0.300 1 804 77 77 VAL CB C 32.673 0.300 1 805 77 77 VAL CG1 C 21.202 0.300 2 806 77 77 VAL CG2 C 21.945 0.300 2 807 77 77 VAL N N 126.375 0.300 1 808 78 78 LEU H H 9.202 0.030 1 809 78 78 LEU HA H 4.563 0.030 1 810 78 78 LEU HB2 H 1.830 0.030 2 811 78 78 LEU HB3 H 1.270 0.030 2 812 78 78 LEU HD1 H 0.727 0.030 1 813 78 78 LEU HD2 H 0.757 0.030 1 814 78 78 LEU HG H 1.588 0.030 1 815 78 78 LEU C C 174.803 0.300 1 816 78 78 LEU CA C 53.362 0.300 1 817 78 78 LEU CB C 42.402 0.300 1 818 78 78 LEU CD1 C 26.297 0.300 2 819 78 78 LEU CD2 C 23.364 0.300 2 820 78 78 LEU CG C 26.851 0.300 1 821 78 78 LEU N N 127.811 0.300 1 822 79 79 ASN H H 8.230 0.030 1 823 79 79 ASN HA H 5.233 0.030 1 824 79 79 ASN HB2 H 2.726 0.030 2 825 79 79 ASN HB3 H 2.658 0.030 2 826 79 79 ASN HD21 H 7.403 0.030 2 827 79 79 ASN HD22 H 6.759 0.030 2 828 79 79 ASN C C 174.130 0.300 1 829 79 79 ASN CA C 51.474 0.300 1 830 79 79 ASN CB C 42.005 0.300 1 831 79 79 ASN N N 118.977 0.300 1 832 79 79 ASN ND2 N 112.555 0.300 1 833 80 80 ASN H H 9.013 0.030 1 834 80 80 ASN HA H 4.365 0.030 1 835 80 80 ASN HB2 H 3.016 0.030 2 836 80 80 ASN HB3 H 2.846 0.030 2 837 80 80 ASN HD21 H 7.565 0.030 2 838 80 80 ASN HD22 H 6.875 0.030 2 839 80 80 ASN C C 175.033 0.300 1 840 80 80 ASN CA C 54.441 0.300 1 841 80 80 ASN CB C 37.071 0.300 1 842 80 80 ASN N N 112.731 0.300 1 843 80 80 ASN ND2 N 113.199 0.300 1 844 81 81 LEU H H 8.566 0.030 1 845 81 81 LEU HA H 4.394 0.030 1 846 81 81 LEU HB2 H 1.396 0.030 2 847 81 81 LEU HB3 H 1.108 0.030 2 848 81 81 LEU HD1 H 0.330 0.030 1 849 81 81 LEU HD2 H 0.103 0.030 1 850 81 81 LEU HG H 1.130 0.030 1 851 81 81 LEU C C 175.680 0.300 1 852 81 81 LEU CA C 53.530 0.300 1 853 81 81 LEU CB C 41.093 0.300 1 854 81 81 LEU CD1 C 25.896 0.300 2 855 81 81 LEU CD2 C 19.877 0.300 2 856 81 81 LEU CG C 26.311 0.300 1 857 81 81 LEU N N 117.866 0.300 1 858 82 82 GLU H H 8.600 0.030 1 859 82 82 GLU HA H 4.811 0.030 1 860 82 82 GLU HB2 H 1.993 0.030 2 861 82 82 GLU HB3 H 1.883 0.030 2 862 82 82 GLU HG2 H 2.363 0.030 2 863 82 82 GLU HG3 H 2.280 0.030 2 864 82 82 GLU C C 174.805 0.300 1 865 82 82 GLU CA C 53.045 0.300 1 866 82 82 GLU CB C 30.892 0.300 1 867 82 82 GLU CG C 35.590 0.300 1 868 82 82 GLU N N 120.419 0.300 1 869 83 83 PRO HA H 5.190 0.030 1 870 83 83 PRO HB2 H 2.414 0.030 2 871 83 83 PRO HB3 H 1.930 0.030 2 872 83 83 PRO HD2 H 3.787 0.030 2 873 83 83 PRO HD3 H 3.670 0.030 2 874 83 83 PRO HG2 H 2.011 0.030 2 875 83 83 PRO HG3 H 1.820 0.030 2 876 83 83 PRO C C 178.406 0.300 1 877 83 83 PRO CA C 62.836 0.300 1 878 83 83 PRO CB C 33.064 0.300 1 879 83 83 PRO CD C 51.071 0.300 1 880 83 83 PRO CG C 27.556 0.300 1 881 84 84 ASN H H 7.696 0.030 1 882 84 84 ASN HA H 4.320 0.030 1 883 84 84 ASN HB2 H 3.243 0.030 2 884 84 84 ASN HB3 H 2.248 0.030 2 885 84 84 ASN HD21 H 7.513 0.030 2 886 84 84 ASN HD22 H 6.670 0.030 2 887 84 84 ASN C C 174.516 0.300 1 888 84 84 ASN CA C 53.285 0.300 1 889 84 84 ASN CB C 39.593 0.300 1 890 84 84 ASN N N 124.385 0.300 1 891 84 84 ASN ND2 N 109.498 0.300 1 892 85 85 THR H H 8.431 0.030 1 893 85 85 THR HA H 4.375 0.030 1 894 85 85 THR HB H 3.912 0.030 1 895 85 85 THR HG2 H 0.521 0.030 1 896 85 85 THR C C 171.448 0.300 1 897 85 85 THR CA C 63.202 0.300 1 898 85 85 THR CB C 71.138 0.300 1 899 85 85 THR CG2 C 20.076 0.300 1 900 85 85 THR N N 115.629 0.300 1 901 86 86 THR H H 8.288 0.030 1 902 86 86 THR HA H 4.660 0.030 1 903 86 86 THR HB H 3.788 0.030 1 904 86 86 THR HG2 H 1.030 0.030 1 905 86 86 THR C C 172.930 0.300 1 906 86 86 THR CA C 62.576 0.300 1 907 86 86 THR CB C 68.439 0.300 1 908 86 86 THR CG2 C 22.576 0.300 1 909 86 86 THR N N 122.534 0.300 1 910 87 87 TYR H H 9.073 0.030 1 911 87 87 TYR HA H 4.700 0.030 1 912 87 87 TYR HB2 H 2.219 0.030 2 913 87 87 TYR HB3 H 1.035 0.030 2 914 87 87 TYR HD1 H 6.510 0.030 1 915 87 87 TYR HD2 H 6.510 0.030 1 916 87 87 TYR HE1 H 6.747 0.030 1 917 87 87 TYR HE2 H 6.747 0.030 1 918 87 87 TYR C C 173.645 0.300 1 919 87 87 TYR CA C 57.726 0.300 1 920 87 87 TYR CB C 43.297 0.300 1 921 87 87 TYR CD1 C 133.318 0.300 1 922 87 87 TYR CD2 C 133.318 0.300 1 923 87 87 TYR CE1 C 117.990 0.300 1 924 87 87 TYR CE2 C 117.990 0.300 1 925 87 87 TYR N N 127.429 0.300 1 926 88 88 GLU H H 8.985 0.030 1 927 88 88 GLU HA H 5.265 0.030 1 928 88 88 GLU HB2 H 1.878 0.030 1 929 88 88 GLU HB3 H 1.878 0.030 1 930 88 88 GLU HG2 H 1.962 0.030 1 931 88 88 GLU HG3 H 1.962 0.030 1 932 88 88 GLU C C 175.935 0.300 1 933 88 88 GLU CA C 53.896 0.300 1 934 88 88 GLU CB C 33.702 0.300 1 935 88 88 GLU CG C 37.181 0.300 1 936 88 88 GLU N N 116.449 0.300 1 937 89 89 ILE H H 9.025 0.030 1 938 89 89 ILE HA H 6.173 0.030 1 939 89 89 ILE HB H 1.857 0.030 1 940 89 89 ILE HD1 H 0.696 0.030 1 941 89 89 ILE HG12 H 1.712 0.030 2 942 89 89 ILE HG13 H 1.044 0.030 2 943 89 89 ILE HG2 H 1.050 0.030 1 944 89 89 ILE C C 173.802 0.300 1 945 89 89 ILE CA C 58.222 0.300 1 946 89 89 ILE CB C 43.647 0.300 1 947 89 89 ILE CD1 C 16.057 0.300 1 948 89 89 ILE CG1 C 27.316 0.300 1 949 89 89 ILE CG2 C 18.105 0.300 1 950 89 89 ILE N N 114.601 0.300 1 951 90 90 ARG H H 8.694 0.030 1 952 90 90 ARG HA H 4.556 0.030 1 953 90 90 ARG HB2 H 1.621 0.030 2 954 90 90 ARG HB3 H 1.475 0.030 2 955 90 90 ARG HD2 H 1.846 0.030 2 956 90 90 ARG HD3 H 1.337 0.030 2 957 90 90 ARG HE H 5.191 0.030 1 958 90 90 ARG HG2 H 1.029 0.030 2 959 90 90 ARG HG3 H 0.706 0.030 2 960 90 90 ARG C C 172.885 0.300 1 961 90 90 ARG CA C 54.721 0.300 1 962 90 90 ARG CB C 32.719 0.300 1 963 90 90 ARG CD C 42.631 0.300 1 964 90 90 ARG CG C 25.466 0.300 1 965 90 90 ARG N N 118.188 0.300 1 966 91 91 VAL H H 8.503 0.030 1 967 91 91 VAL HA H 5.227 0.030 1 968 91 91 VAL HB H 1.235 0.030 1 969 91 91 VAL HG1 H -0.077 0.030 1 970 91 91 VAL HG2 H 0.467 0.030 1 971 91 91 VAL C C 174.193 0.300 1 972 91 91 VAL CA C 60.478 0.300 1 973 91 91 VAL CB C 35.173 0.300 1 974 91 91 VAL CG1 C 19.852 0.300 2 975 91 91 VAL CG2 C 21.140 0.300 2 976 91 91 VAL N N 119.813 0.300 1 977 92 92 ALA H H 9.335 0.030 1 978 92 92 ALA HA H 4.604 0.030 1 979 92 92 ALA HB H 0.645 0.030 1 980 92 92 ALA C C 175.174 0.300 1 981 92 92 ALA CA C 50.644 0.300 1 982 92 92 ALA CB C 23.268 0.300 1 983 92 92 ALA N N 128.335 0.300 1 984 93 93 ALA H H 9.700 0.030 1 985 93 93 ALA HA H 4.604 0.030 1 986 93 93 ALA HB H 1.307 0.030 1 987 93 93 ALA C C 175.079 0.300 1 988 93 93 ALA CA C 50.641 0.300 1 989 93 93 ALA CB C 22.755 0.300 1 990 93 93 ALA N N 123.790 0.300 1 991 94 94 VAL H H 8.131 0.030 1 992 94 94 VAL HA H 4.352 0.030 1 993 94 94 VAL HB H 0.650 0.030 1 994 94 94 VAL HG1 H 0.668 0.030 1 995 94 94 VAL HG2 H 0.488 0.030 1 996 94 94 VAL C C 175.849 0.300 1 997 94 94 VAL CA C 61.200 0.300 1 998 94 94 VAL CB C 33.427 0.300 1 999 94 94 VAL CG1 C 21.401 0.300 2 1000 94 94 VAL CG2 C 20.641 0.300 2 1001 94 94 VAL N N 119.974 0.300 1 1002 95 95 ASN H H 8.599 0.030 1 1003 95 95 ASN HA H 4.701 0.030 1 1004 95 95 ASN HB2 H 3.211 0.030 2 1005 95 95 ASN HB3 H 2.366 0.030 2 1006 95 95 ASN HD21 H 7.980 0.030 2 1007 95 95 ASN HD22 H 7.912 0.030 2 1008 95 95 ASN C C 175.900 0.300 1 1009 95 95 ASN CA C 50.595 0.300 1 1010 95 95 ASN CB C 41.788 0.300 1 1011 95 95 ASN N N 126.734 0.300 1 1012 95 95 ASN ND2 N 113.641 0.300 1 1013 96 96 GLY H H 8.064 0.030 1 1014 96 96 GLY HA2 H 3.745 0.030 2 1015 96 96 GLY HA3 H 3.683 0.030 2 1016 96 96 GLY C C 174.113 0.300 1 1017 96 96 GLY CA C 46.631 0.300 1 1018 96 96 GLY N N 103.360 0.300 1 1019 97 97 LYS H H 7.756 0.030 1 1020 97 97 LYS HA H 4.270 0.030 1 1021 97 97 LYS HB2 H 1.822 0.030 2 1022 97 97 LYS HB3 H 1.526 0.030 2 1023 97 97 LYS HD2 H 1.612 0.030 2 1024 97 97 LYS HD3 H 1.532 0.030 2 1025 97 97 LYS HE2 H 2.954 0.030 2 1026 97 97 LYS HE3 H 2.932 0.030 2 1027 97 97 LYS HG2 H 1.211 0.030 1 1028 97 97 LYS HG3 H 1.211 0.030 1 1029 97 97 LYS C C 176.241 0.300 1 1030 97 97 LYS CA C 55.413 0.300 1 1031 97 97 LYS CB C 32.163 0.300 1 1032 97 97 LYS CD C 28.003 0.300 1 1033 97 97 LYS CE C 42.109 0.300 1 1034 97 97 LYS CG C 24.513 0.300 1 1035 97 97 LYS N N 118.670 0.300 1 1036 98 98 GLY H H 7.818 0.030 1 1037 98 98 GLY HA2 H 4.270 0.030 2 1038 98 98 GLY HA3 H 3.719 0.030 2 1039 98 98 GLY C C 170.562 0.300 1 1040 98 98 GLY CA C 44.830 0.300 1 1041 98 98 GLY N N 107.312 0.300 1 1042 99 99 GLN H H 8.279 0.030 1 1043 99 99 GLN HA H 4.470 0.030 1 1044 99 99 GLN HB2 H 1.870 0.030 2 1045 99 99 GLN HB3 H 1.771 0.030 2 1046 99 99 GLN HE21 H 6.574 0.030 2 1047 99 99 GLN HE22 H 6.080 0.030 2 1048 99 99 GLN HG2 H 2.367 0.030 2 1049 99 99 GLN HG3 H 1.715 0.030 2 1050 99 99 GLN C C 176.420 0.300 1 1051 99 99 GLN CA C 55.151 0.300 1 1052 99 99 GLN CB C 30.442 0.300 1 1053 99 99 GLN CG C 33.130 0.300 1 1054 99 99 GLN N N 120.224 0.300 1 1055 99 99 GLN NE2 N 109.431 0.300 1 1056 100 100 GLY H H 8.688 0.030 1 1057 100 100 GLY HA2 H 4.106 0.030 1 1058 100 100 GLY HA3 H 4.106 0.030 1 1059 100 100 GLY C C 172.599 0.300 1 1060 100 100 GLY CA C 44.641 0.300 1 1061 100 100 GLY N N 113.299 0.300 1 1062 101 101 ASP H H 7.828 0.030 1 1063 101 101 ASP HA H 4.326 0.030 1 1064 101 101 ASP HB2 H 2.675 0.030 2 1065 101 101 ASP HB3 H 2.418 0.030 2 1066 101 101 ASP C C 177.651 0.300 1 1067 101 101 ASP CA C 54.317 0.300 1 1068 101 101 ASP CB C 41.808 0.300 1 1069 101 101 ASP N N 116.112 0.300 1 1070 102 102 TYR H H 8.431 0.030 1 1071 102 102 TYR HA H 4.705 0.030 1 1072 102 102 TYR HB2 H 3.209 0.030 2 1073 102 102 TYR HB3 H 2.639 0.030 2 1074 102 102 TYR HD1 H 6.837 0.030 1 1075 102 102 TYR HD2 H 6.837 0.030 1 1076 102 102 TYR HE1 H 6.484 0.030 1 1077 102 102 TYR HE2 H 6.484 0.030 1 1078 102 102 TYR C C 178.762 0.300 1 1079 102 102 TYR CA C 59.197 0.300 1 1080 102 102 TYR CB C 41.075 0.300 1 1081 102 102 TYR CD1 C 132.777 0.300 1 1082 102 102 TYR CD2 C 132.777 0.300 1 1083 102 102 TYR CE1 C 121.052 0.300 1 1084 102 102 TYR CE2 C 121.052 0.300 1 1085 102 102 TYR N N 118.697 0.300 1 1086 103 103 SER H H 9.284 0.030 1 1087 103 103 SER HA H 4.529 0.030 1 1088 103 103 SER HB2 H 4.277 0.030 2 1089 103 103 SER HB3 H 3.709 0.030 2 1090 103 103 SER C C 173.419 0.300 1 1091 103 103 SER CA C 58.231 0.300 1 1092 103 103 SER CB C 66.149 0.300 1 1093 103 103 SER N N 115.131 0.300 1 1094 104 104 LYS H H 8.296 0.030 1 1095 104 104 LYS HA H 4.258 0.030 1 1096 104 104 LYS HB2 H 1.937 0.030 1 1097 104 104 LYS HB3 H 1.937 0.030 1 1098 104 104 LYS HD2 H 1.814 0.030 1 1099 104 104 LYS HD3 H 1.814 0.030 1 1100 104 104 LYS HE2 H 3.126 0.030 1 1101 104 104 LYS HE3 H 3.126 0.030 1 1102 104 104 LYS HG2 H 1.631 0.030 1 1103 104 104 LYS HG3 H 1.631 0.030 1 1104 104 104 LYS C C 177.671 0.300 1 1105 104 104 LYS CA C 57.192 0.300 1 1106 104 104 LYS CB C 32.653 0.300 1 1107 104 104 LYS CD C 29.302 0.300 1 1108 104 104 LYS CE C 42.128 0.300 1 1109 104 104 LYS CG C 24.644 0.300 1 1110 104 104 LYS N N 119.572 0.300 1 1111 105 105 ILE H H 8.427 0.030 1 1112 105 105 ILE HA H 4.534 0.030 1 1113 105 105 ILE HB H 1.760 0.030 1 1114 105 105 ILE HD1 H 1.049 0.030 1 1115 105 105 ILE HG12 H 1.793 0.030 2 1116 105 105 ILE HG13 H 1.039 0.030 2 1117 105 105 ILE HG2 H 1.088 0.030 1 1118 105 105 ILE C C 176.659 0.300 1 1119 105 105 ILE CA C 62.137 0.300 1 1120 105 105 ILE CB C 39.086 0.300 1 1121 105 105 ILE CD1 C 13.656 0.300 1 1122 105 105 ILE CG1 C 30.242 0.300 1 1123 105 105 ILE CG2 C 18.626 0.300 1 1124 105 105 ILE N N 126.900 0.300 1 1125 106 106 GLU H H 8.633 0.030 1 1126 106 106 GLU HA H 4.903 0.030 1 1127 106 106 GLU HB2 H 2.064 0.030 2 1128 106 106 GLU HB3 H 1.619 0.030 2 1129 106 106 GLU HG2 H 2.263 0.030 1 1130 106 106 GLU HG3 H 2.263 0.030 1 1131 106 106 GLU C C 174.247 0.300 1 1132 106 106 GLU CA C 53.809 0.300 1 1133 106 106 GLU CB C 32.441 0.300 1 1134 106 106 GLU CG C 34.867 0.300 1 1135 106 106 GLU N N 127.444 0.300 1 1136 107 107 ILE H H 8.520 0.030 1 1137 107 107 ILE HA H 5.563 0.030 1 1138 107 107 ILE HB H 1.643 0.030 1 1139 107 107 ILE HD1 H 0.811 0.030 1 1140 107 107 ILE HG12 H 1.512 0.030 2 1141 107 107 ILE HG13 H 1.070 0.030 2 1142 107 107 ILE HG2 H 0.799 0.030 1 1143 107 107 ILE C C 176.505 0.300 1 1144 107 107 ILE CA C 59.235 0.300 1 1145 107 107 ILE CB C 41.115 0.300 1 1146 107 107 ILE CD1 C 13.594 0.300 1 1147 107 107 ILE CG1 C 28.178 0.300 1 1148 107 107 ILE CG2 C 17.757 0.300 1 1149 107 107 ILE N N 120.862 0.300 1 1150 108 108 PHE H H 9.022 0.030 1 1151 108 108 PHE HA H 5.019 0.030 1 1152 108 108 PHE HB2 H 3.069 0.030 1 1153 108 108 PHE HB3 H 3.069 0.030 1 1154 108 108 PHE HD1 H 6.872 0.030 1 1155 108 108 PHE HD2 H 6.872 0.030 1 1156 108 108 PHE HE1 H 6.818 0.030 1 1157 108 108 PHE HE2 H 6.818 0.030 1 1158 108 108 PHE HZ H 6.431 0.030 1 1159 108 108 PHE C C 170.931 0.300 1 1160 108 108 PHE CA C 56.143 0.300 1 1161 108 108 PHE CB C 41.943 0.300 1 1162 108 108 PHE CD1 C 132.304 0.300 1 1163 108 108 PHE CD2 C 132.304 0.300 1 1164 108 108 PHE CE1 C 130.364 0.300 1 1165 108 108 PHE CE2 C 130.364 0.300 1 1166 108 108 PHE CZ C 128.493 0.300 1 1167 108 108 PHE N N 122.644 0.300 1 1168 109 109 GLN H H 8.571 0.030 1 1169 109 109 GLN HA H 5.543 0.030 1 1170 109 109 GLN HB2 H 1.931 0.030 2 1171 109 109 GLN HB3 H 1.786 0.030 2 1172 109 109 GLN HE21 H 6.926 0.030 2 1173 109 109 GLN HE22 H 6.606 0.030 2 1174 109 109 GLN HG2 H 2.532 0.030 2 1175 109 109 GLN HG3 H 2.000 0.030 2 1176 109 109 GLN C C 176.599 0.300 1 1177 109 109 GLN CA C 53.229 0.300 1 1178 109 109 GLN CB C 32.191 0.300 1 1179 109 109 GLN CG C 33.102 0.300 1 1180 109 109 GLN N N 120.924 0.300 1 1181 109 109 GLN NE2 N 110.802 0.300 1 1182 110 110 THR H H 8.918 0.030 1 1183 110 110 THR HA H 4.408 0.030 1 1184 110 110 THR HB H 4.971 0.030 1 1185 110 110 THR HG2 H 1.341 0.030 1 1186 110 110 THR C C 175.595 0.300 1 1187 110 110 THR CA C 61.683 0.300 1 1188 110 110 THR CB C 69.786 0.300 1 1189 110 110 THR CG2 C 25.419 0.300 1 1190 110 110 THR N N 115.243 0.300 1 1191 111 111 LEU H H 7.148 0.030 1 1192 111 111 LEU HA H 4.423 0.030 1 1193 111 111 LEU HB2 H 1.706 0.030 2 1194 111 111 LEU HB3 H 1.201 0.030 2 1195 111 111 LEU HD1 H 0.981 0.030 1 1196 111 111 LEU HD2 H 0.952 0.030 1 1197 111 111 LEU HG H 1.539 0.030 1 1198 111 111 LEU C C 175.571 0.300 1 1199 111 111 LEU CA C 53.657 0.300 1 1200 111 111 LEU CB C 41.123 0.300 1 1201 111 111 LEU CD1 C 26.211 0.300 2 1202 111 111 LEU CD2 C 21.987 0.300 2 1203 111 111 LEU CG C 27.652 0.300 1 1204 111 111 LEU N N 118.246 0.300 1 1205 112 112 PRO HA H 4.702 0.030 1 1206 112 112 PRO HB2 H 2.136 0.030 2 1207 112 112 PRO HB3 H 1.967 0.030 2 1208 112 112 PRO HD2 H 3.869 0.030 2 1209 112 112 PRO HD3 H 3.611 0.030 2 1210 112 112 PRO HG2 H 2.019 0.030 2 1211 112 112 PRO HG3 H 1.908 0.030 2 1212 112 112 PRO C C 177.734 0.300 1 1213 112 112 PRO CA C 62.074 0.300 1 1214 112 112 PRO CB C 32.278 0.300 1 1215 112 112 PRO CD C 49.787 0.300 1 1216 112 112 PRO CG C 26.848 0.300 1 1217 113 113 VAL H H 8.876 0.030 1 1218 113 113 VAL HA H 3.952 0.030 1 1219 113 113 VAL HB H 2.076 0.030 1 1220 113 113 VAL HG1 H 0.986 0.030 1 1221 113 113 VAL HG2 H 0.978 0.030 1 1222 113 113 VAL C C 176.532 0.300 1 1223 113 113 VAL CA C 63.567 0.300 1 1224 113 113 VAL CB C 32.220 0.300 1 1225 113 113 VAL CG1 C 20.939 0.300 2 1226 113 113 VAL CG2 C 21.205 0.300 2 1227 113 113 VAL N N 119.303 0.300 1 1228 114 114 SER H H 8.291 0.030 1 1229 114 114 SER HA H 4.501 0.030 1 1230 114 114 SER HB2 H 3.849 0.030 1 1231 114 114 SER HB3 H 3.849 0.030 1 1232 114 114 SER C C 174.494 0.300 1 1233 114 114 SER CA C 58.124 0.300 1 1234 114 114 SER CB C 64.103 0.300 1 1235 114 114 SER N N 118.883 0.300 1 1236 115 115 GLY H H 8.277 0.030 1 1237 115 115 GLY HA2 H 4.169 0.030 2 1238 115 115 GLY HA3 H 4.088 0.030 2 1239 115 115 GLY C C 171.687 0.300 1 1240 115 115 GLY CA C 44.678 0.300 1 1241 115 115 GLY N N 111.053 0.300 1 1242 116 116 PRO HA H 4.483 0.030 1 1243 116 116 PRO HB2 H 2.301 0.030 2 1244 116 116 PRO HB3 H 1.973 0.030 2 1245 116 116 PRO HD2 H 3.629 0.030 1 1246 116 116 PRO HD3 H 3.629 0.030 1 1247 116 116 PRO HG2 H 2.021 0.030 1 1248 116 116 PRO HG3 H 2.021 0.030 1 1249 116 116 PRO CA C 63.259 0.300 1 1250 116 116 PRO CB C 32.267 0.300 1 1251 116 116 PRO CD C 49.794 0.300 1 1252 116 116 PRO CG C 27.186 0.300 1 stop_ save_