data_10268 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the CA domain of human protocadherin 9 ; _BMRB_accession_number 10268 _BMRB_flat_file_name bmr10268.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Sato M. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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" 601 "13C chemical shifts" 469 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the CA domain of human protocadherin 9' _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 Sato M. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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 Protocadherin-9 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CA 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 'CA domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGNDNRPVFKEGQVE VHIPENAPVGTSVIQLHATD ADIGSNAEIRYIFGAQVAPA TKRLFALNNTTGLITVQRSL DREETAIHKVTVLASDGSST PARATVTINVTDVN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ASP 10 ASN 11 ARG 12 PRO 13 VAL 14 PHE 15 LYS 16 GLU 17 GLY 18 GLN 19 VAL 20 GLU 21 VAL 22 HIS 23 ILE 24 PRO 25 GLU 26 ASN 27 ALA 28 PRO 29 VAL 30 GLY 31 THR 32 SER 33 VAL 34 ILE 35 GLN 36 LEU 37 HIS 38 ALA 39 THR 40 ASP 41 ALA 42 ASP 43 ILE 44 GLY 45 SER 46 ASN 47 ALA 48 GLU 49 ILE 50 ARG 51 TYR 52 ILE 53 PHE 54 GLY 55 ALA 56 GLN 57 VAL 58 ALA 59 PRO 60 ALA 61 THR 62 LYS 63 ARG 64 LEU 65 PHE 66 ALA 67 LEU 68 ASN 69 ASN 70 THR 71 THR 72 GLY 73 LEU 74 ILE 75 THR 76 VAL 77 GLN 78 ARG 79 SER 80 LEU 81 ASP 82 ARG 83 GLU 84 GLU 85 THR 86 ALA 87 ILE 88 HIS 89 LYS 90 VAL 91 THR 92 VAL 93 LEU 94 ALA 95 SER 96 ASP 97 GLY 98 SER 99 SER 100 THR 101 PRO 102 ALA 103 ARG 104 ALA 105 THR 106 VAL 107 THR 108 ILE 109 ASN 110 VAL 111 THR 112 ASP 113 VAL 114 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2EE0 "Solution Structures Of The Ca Domain Of Human Protocadherin 9" 100.00 114 100.00 100.00 1.08e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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' . . . . plasmid P060417-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name MRView _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'CA 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 1 1 GLY HA2 H 4.016 0.030 2 2 1 1 GLY C C 174.346 0.300 1 3 1 1 GLY CA C 45.466 0.300 1 4 2 2 SER H H 8.289 0.030 1 5 2 2 SER HA H 4.530 0.030 1 6 2 2 SER HB3 H 3.879 0.030 2 7 2 2 SER C C 174.868 0.300 1 8 2 2 SER CA C 58.284 0.300 1 9 2 2 SER CB C 63.769 0.300 1 10 2 2 SER N N 115.842 0.300 1 11 3 3 SER H H 8.490 0.030 1 12 3 3 SER HA H 4.496 0.030 1 13 3 3 SER HB3 H 3.913 0.030 2 14 3 3 SER C C 175.043 0.300 1 15 3 3 SER CA C 58.549 0.300 1 16 3 3 SER CB C 63.687 0.300 1 17 3 3 SER N N 117.930 0.300 1 18 4 4 GLY H H 8.482 0.030 1 19 4 4 GLY C C 174.344 0.300 1 20 4 4 GLY CA C 45.536 0.300 1 21 4 4 GLY N N 110.985 0.300 1 22 6 6 SER HA H 4.508 0.030 1 23 6 6 SER HB3 H 3.913 0.030 2 24 6 6 SER C C 175.026 0.300 1 25 6 6 SER CA C 58.584 0.300 1 26 6 6 SER CB C 63.646 0.300 1 27 7 7 GLY H H 8.419 0.030 1 28 7 7 GLY HA2 H 3.993 0.030 2 29 7 7 GLY C C 173.995 0.300 1 30 7 7 GLY CA C 45.466 0.300 1 31 7 7 GLY N N 110.615 0.300 1 32 8 8 ASN H H 8.322 0.030 1 33 8 8 ASN HA H 4.736 0.030 1 34 8 8 ASN HB2 H 2.822 0.030 2 35 8 8 ASN HB3 H 2.713 0.030 2 36 8 8 ASN HD21 H 7.649 0.030 2 37 8 8 ASN HD22 H 6.973 0.030 2 38 8 8 ASN C C 174.907 0.300 1 39 8 8 ASN CA C 53.259 0.300 1 40 8 8 ASN CB C 39.127 0.300 1 41 8 8 ASN N N 118.602 0.300 1 42 8 8 ASN ND2 N 112.743 0.300 1 43 9 9 ASP H H 8.370 0.030 1 44 9 9 ASP HA H 4.594 0.030 1 45 9 9 ASP HB2 H 2.720 0.030 2 46 9 9 ASP HB3 H 2.615 0.030 2 47 9 9 ASP C C 175.765 0.300 1 48 9 9 ASP CA C 54.440 0.300 1 49 9 9 ASP CB C 40.898 0.300 1 50 9 9 ASP N N 120.504 0.300 1 51 10 10 ASN H H 8.382 0.030 1 52 10 10 ASN HA H 4.691 0.030 1 53 10 10 ASN HB2 H 2.830 0.030 2 54 10 10 ASN HB3 H 2.721 0.030 2 55 10 10 ASN HD21 H 7.647 0.030 2 56 10 10 ASN HD22 H 6.970 0.030 2 57 10 10 ASN C C 174.383 0.300 1 58 10 10 ASN CA C 53.241 0.300 1 59 10 10 ASN CB C 38.674 0.300 1 60 10 10 ASN N N 119.406 0.300 1 61 10 10 ASN ND2 N 112.695 0.300 1 62 11 11 ARG H H 7.942 0.030 1 63 11 11 ARG HA H 4.684 0.030 1 64 11 11 ARG HB2 H 1.837 0.030 2 65 11 11 ARG HB3 H 1.778 0.030 2 66 11 11 ARG HD2 H 3.174 0.030 1 67 11 11 ARG HD3 H 3.174 0.030 1 68 11 11 ARG HG2 H 1.649 0.030 1 69 11 11 ARG HG3 H 1.649 0.030 1 70 11 11 ARG C C 173.640 0.300 1 71 11 11 ARG CA C 54.246 0.300 1 72 11 11 ARG CB C 30.337 0.300 1 73 11 11 ARG CD C 43.656 0.300 1 74 11 11 ARG CG C 26.287 0.300 1 75 11 11 ARG N N 121.145 0.300 1 76 12 12 PRO HA H 4.507 0.030 1 77 12 12 PRO HB2 H 1.855 0.030 2 78 12 12 PRO HB3 H 1.440 0.030 2 79 12 12 PRO HD2 H 3.782 0.030 2 80 12 12 PRO HD3 H 3.581 0.030 2 81 12 12 PRO HG2 H 1.826 0.030 2 82 12 12 PRO HG3 H 1.745 0.030 2 83 12 12 PRO CA C 62.714 0.300 1 84 12 12 PRO CB C 31.942 0.300 1 85 12 12 PRO CD C 50.478 0.300 1 86 12 12 PRO CG C 27.615 0.300 1 87 13 13 VAL H H 8.252 0.030 1 88 13 13 VAL HA H 4.159 0.030 1 89 13 13 VAL HB H 1.915 0.030 1 90 13 13 VAL HG1 H 0.855 0.030 1 91 13 13 VAL HG2 H 0.808 0.030 1 92 13 13 VAL CA C 61.409 0.300 1 93 13 13 VAL CB C 34.858 0.300 1 94 13 13 VAL CG1 C 20.662 0.300 2 95 13 13 VAL CG2 C 21.122 0.300 2 96 13 13 VAL N N 118.395 0.300 1 97 14 14 PHE H H 8.725 0.030 1 98 14 14 PHE HA H 4.781 0.030 1 99 14 14 PHE HB2 H 2.927 0.030 2 100 14 14 PHE HB3 H 2.781 0.030 2 101 14 14 PHE HD1 H 7.220 0.030 1 102 14 14 PHE HD2 H 7.220 0.030 1 103 14 14 PHE HE1 H 7.106 0.030 1 104 14 14 PHE HE2 H 7.106 0.030 1 105 14 14 PHE HZ H 6.965 0.030 1 106 14 14 PHE CA C 58.594 0.300 1 107 14 14 PHE CB C 39.594 0.300 1 108 14 14 PHE CD1 C 132.260 0.300 1 109 14 14 PHE CD2 C 132.260 0.300 1 110 14 14 PHE CE1 C 131.294 0.300 1 111 14 14 PHE CE2 C 131.294 0.300 1 112 14 14 PHE CZ C 129.217 0.300 1 113 14 14 PHE N N 122.950 0.300 1 114 15 15 LYS H H 8.885 0.030 1 115 15 15 LYS HA H 4.130 0.030 1 116 15 15 LYS HB2 H 1.936 0.030 1 117 15 15 LYS HB3 H 1.936 0.030 1 118 15 15 LYS HD2 H 1.700 0.030 1 119 15 15 LYS HD3 H 1.700 0.030 1 120 15 15 LYS HE2 H 2.969 0.030 1 121 15 15 LYS HE3 H 2.969 0.030 1 122 15 15 LYS HG2 H 1.543 0.030 2 123 15 15 LYS HG3 H 1.461 0.030 2 124 15 15 LYS C C 177.027 0.300 1 125 15 15 LYS CA C 58.478 0.300 1 126 15 15 LYS CB C 32.748 0.300 1 127 15 15 LYS CD C 29.102 0.300 1 128 15 15 LYS CE C 42.044 0.300 1 129 15 15 LYS CG C 24.993 0.300 1 130 15 15 LYS N N 123.863 0.300 1 131 16 16 GLU H H 8.091 0.030 1 132 16 16 GLU HA H 4.438 0.030 1 133 16 16 GLU HB2 H 1.959 0.030 2 134 16 16 GLU HB3 H 1.913 0.030 2 135 16 16 GLU HG2 H 2.238 0.030 1 136 16 16 GLU HG3 H 2.238 0.030 1 137 16 16 GLU C C 175.947 0.300 1 138 16 16 GLU CA C 56.045 0.300 1 139 16 16 GLU CB C 30.766 0.300 1 140 16 16 GLU CG C 36.284 0.300 1 141 16 16 GLU N N 117.026 0.300 1 142 17 17 GLY H H 8.421 0.030 1 143 17 17 GLY HA2 H 3.993 0.030 2 144 17 17 GLY HA3 H 3.913 0.030 2 145 17 17 GLY C C 173.564 0.300 1 146 17 17 GLY CA C 45.448 0.300 1 147 17 17 GLY N N 109.577 0.300 1 148 18 18 GLN H H 7.858 0.030 1 149 18 18 GLN HA H 5.065 0.030 1 150 18 18 GLN HB2 H 2.014 0.030 2 151 18 18 GLN HB3 H 1.949 0.030 2 152 18 18 GLN HE21 H 7.508 0.030 2 153 18 18 GLN HE22 H 6.782 0.030 2 154 18 18 GLN HG2 H 2.273 0.030 1 155 18 18 GLN HG3 H 2.273 0.030 1 156 18 18 GLN C C 174.596 0.300 1 157 18 18 GLN CA C 55.110 0.300 1 158 18 18 GLN CB C 30.329 0.300 1 159 18 18 GLN CG C 33.657 0.300 1 160 18 18 GLN N N 120.202 0.300 1 161 18 18 GLN NE2 N 111.863 0.300 1 162 19 19 VAL H H 8.216 0.030 1 163 19 19 VAL HA H 4.450 0.030 1 164 19 19 VAL HB H 1.877 0.030 1 165 19 19 VAL HG1 H 0.808 0.030 1 166 19 19 VAL HG2 H 0.775 0.030 1 167 19 19 VAL C C 173.648 0.300 1 168 19 19 VAL CA C 60.788 0.300 1 169 19 19 VAL CB C 35.336 0.300 1 170 19 19 VAL CG1 C 21.644 0.300 2 171 19 19 VAL CG2 C 20.707 0.300 2 172 19 19 VAL N N 121.257 0.300 1 173 20 20 GLU H H 8.610 0.030 1 174 20 20 GLU HA H 5.211 0.030 1 175 20 20 GLU HB2 H 1.876 0.030 1 176 20 20 GLU HB3 H 1.876 0.030 1 177 20 20 GLU HG2 H 2.026 0.030 2 178 20 20 GLU HG3 H 1.920 0.030 2 179 20 20 GLU C C 174.783 0.300 1 180 20 20 GLU CA C 54.793 0.300 1 181 20 20 GLU CB C 32.058 0.300 1 182 20 20 GLU CG C 36.136 0.300 1 183 20 20 GLU N N 127.095 0.300 1 184 21 21 VAL H H 8.727 0.030 1 185 21 21 VAL HA H 4.633 0.030 1 186 21 21 VAL HB H 1.928 0.030 1 187 21 21 VAL HG1 H 0.810 0.030 1 188 21 21 VAL HG2 H 0.669 0.030 1 189 21 21 VAL C C 173.894 0.300 1 190 21 21 VAL CA C 59.695 0.300 1 191 21 21 VAL CB C 35.865 0.300 1 192 21 21 VAL CG1 C 21.817 0.300 2 193 21 21 VAL CG2 C 20.705 0.300 2 194 21 21 VAL N N 120.489 0.300 1 195 22 22 HIS H H 8.680 0.030 1 196 22 22 HIS HA H 5.552 0.030 1 197 22 22 HIS HB2 H 2.983 0.030 2 198 22 22 HIS HB3 H 2.945 0.030 2 199 22 22 HIS HD2 H 6.884 0.030 1 200 22 22 HIS C C 174.298 0.300 1 201 22 22 HIS CA C 55.331 0.300 1 202 22 22 HIS CB C 32.369 0.300 1 203 22 22 HIS CD2 C 119.104 0.300 1 204 22 22 HIS N N 124.991 0.300 1 205 23 23 ILE H H 9.179 0.030 1 206 23 23 ILE HA H 5.046 0.030 1 207 23 23 ILE HB H 1.749 0.030 1 208 23 23 ILE HD1 H 0.883 0.030 1 209 23 23 ILE HG12 H 1.524 0.030 2 210 23 23 ILE HG13 H 1.207 0.030 2 211 23 23 ILE HG2 H 0.908 0.030 1 212 23 23 ILE C C 171.552 0.300 1 213 23 23 ILE CA C 55.551 0.300 1 214 23 23 ILE CB C 42.053 0.300 1 215 23 23 ILE CD1 C 14.568 0.300 1 216 23 23 ILE CG1 C 27.150 0.300 1 217 23 23 ILE CG2 C 17.474 0.300 1 218 23 23 ILE N N 123.121 0.300 1 219 24 24 PRO HA H 4.816 0.030 1 220 24 24 PRO HB2 H 2.223 0.030 2 221 24 24 PRO HB3 H 2.063 0.030 2 222 24 24 PRO HD2 H 3.841 0.030 2 223 24 24 PRO HD3 H 3.773 0.030 2 224 24 24 PRO HG2 H 2.040 0.030 1 225 24 24 PRO HG3 H 2.040 0.030 1 226 24 24 PRO C C 178.887 0.300 1 227 24 24 PRO CA C 62.216 0.300 1 228 24 24 PRO CB C 32.895 0.300 1 229 24 24 PRO CD C 50.979 0.300 1 230 24 24 PRO CG C 27.795 0.300 1 231 25 25 GLU H H 8.399 0.030 1 232 25 25 GLU HA H 3.785 0.030 1 233 25 25 GLU HB2 H 2.093 0.030 2 234 25 25 GLU HB3 H 1.917 0.030 2 235 25 25 GLU HG2 H 2.399 0.030 2 236 25 25 GLU HG3 H 1.927 0.030 2 237 25 25 GLU C C 175.244 0.300 1 238 25 25 GLU CA C 58.425 0.300 1 239 25 25 GLU CB C 30.011 0.300 1 240 25 25 GLU CG C 36.366 0.300 1 241 25 25 GLU N N 117.706 0.300 1 242 26 26 ASN H H 7.488 0.030 1 243 26 26 ASN HA H 4.702 0.030 1 244 26 26 ASN HB2 H 3.221 0.030 2 245 26 26 ASN HB3 H 2.743 0.030 2 246 26 26 ASN HD21 H 7.698 0.030 2 247 26 26 ASN HD22 H 6.965 0.030 2 248 26 26 ASN C C 175.425 0.300 1 249 26 26 ASN CA C 51.584 0.300 1 250 26 26 ASN CB C 37.243 0.300 1 251 26 26 ASN N N 112.383 0.300 1 252 26 26 ASN ND2 N 111.194 0.300 1 253 27 27 ALA H H 7.716 0.030 1 254 27 27 ALA HA H 4.409 0.030 1 255 27 27 ALA HB H 1.401 0.030 1 256 27 27 ALA C C 175.850 0.300 1 257 27 27 ALA CA C 51.037 0.300 1 258 27 27 ALA CB C 18.152 0.300 1 259 27 27 ALA N N 125.139 0.300 1 260 28 28 PRO HA H 4.422 0.030 1 261 28 28 PRO HB2 H 2.312 0.030 2 262 28 28 PRO HB3 H 1.763 0.030 2 263 28 28 PRO HD2 H 3.963 0.030 2 264 28 28 PRO HD3 H 3.618 0.030 2 265 28 28 PRO HG2 H 1.988 0.030 2 266 28 28 PRO HG3 H 1.925 0.030 2 267 28 28 PRO C C 178.442 0.300 1 268 28 28 PRO CA C 62.067 0.300 1 269 28 28 PRO CB C 32.642 0.300 1 270 28 28 PRO CD C 51.073 0.300 1 271 28 28 PRO CG C 27.441 0.300 1 272 29 29 VAL H H 8.691 0.030 1 273 29 29 VAL HA H 3.239 0.030 1 274 29 29 VAL HB H 1.849 0.030 1 275 29 29 VAL HG1 H 0.819 0.030 1 276 29 29 VAL HG2 H 0.839 0.030 1 277 29 29 VAL C C 176.887 0.300 1 278 29 29 VAL CA C 65.812 0.300 1 279 29 29 VAL CB C 31.174 0.300 1 280 29 29 VAL CG1 C 22.273 0.300 2 281 29 29 VAL CG2 C 21.361 0.300 2 282 29 29 VAL N N 123.592 0.300 1 283 30 30 GLY H H 9.197 0.030 1 284 30 30 GLY HA2 H 4.486 0.030 2 285 30 30 GLY HA3 H 3.581 0.030 2 286 30 30 GLY C C 174.347 0.300 1 287 30 30 GLY CA C 44.320 0.300 1 288 30 30 GLY N N 116.042 0.300 1 289 31 31 THR H H 7.838 0.030 1 290 31 31 THR HA H 3.959 0.030 1 291 31 31 THR HB H 3.841 0.030 1 292 31 31 THR HG2 H 1.271 0.030 1 293 31 31 THR C C 174.274 0.300 1 294 31 31 THR CA C 65.160 0.300 1 295 31 31 THR CB C 69.972 0.300 1 296 31 31 THR CG2 C 21.119 0.300 1 297 31 31 THR N N 117.679 0.300 1 298 32 32 SER H H 9.022 0.030 1 299 32 32 SER HA H 4.273 0.030 1 300 32 32 SER HB2 H 3.864 0.030 2 301 32 32 SER HB3 H 3.730 0.030 2 302 32 32 SER C C 172.692 0.300 1 303 32 32 SER CA C 59.642 0.300 1 304 32 32 SER CB C 63.102 0.300 1 305 32 32 SER N N 123.045 0.300 1 306 33 33 VAL H H 9.202 0.030 1 307 33 33 VAL HA H 3.844 0.030 1 308 33 33 VAL HB H 1.680 0.030 1 309 33 33 VAL HG1 H 0.957 0.030 1 310 33 33 VAL HG2 H 0.619 0.030 1 311 33 33 VAL C C 174.782 0.300 1 312 33 33 VAL CA C 64.242 0.300 1 313 33 33 VAL CB C 32.893 0.300 1 314 33 33 VAL CG1 C 22.577 0.300 2 315 33 33 VAL CG2 C 21.253 0.300 2 316 33 33 VAL N N 126.861 0.300 1 317 34 34 ILE H H 7.074 0.030 1 318 34 34 ILE HA H 4.295 0.030 1 319 34 34 ILE HB H 1.980 0.030 1 320 34 34 ILE HD1 H 0.803 0.030 1 321 34 34 ILE HG12 H 1.426 0.030 2 322 34 34 ILE HG13 H 0.884 0.030 2 323 34 34 ILE HG2 H 0.580 0.030 1 324 34 34 ILE C C 170.577 0.300 1 325 34 34 ILE CA C 59.500 0.300 1 326 34 34 ILE CB C 39.251 0.300 1 327 34 34 ILE CD1 C 14.884 0.300 1 328 34 34 ILE CG1 C 28.891 0.300 1 329 34 34 ILE CG2 C 16.657 0.300 1 330 34 34 ILE N N 111.445 0.300 1 331 35 35 GLN H H 8.450 0.030 1 332 35 35 GLN HA H 4.633 0.030 1 333 35 35 GLN HB2 H 2.006 0.030 2 334 35 35 GLN HB3 H 1.698 0.030 2 335 35 35 GLN HE21 H 7.717 0.030 2 336 35 35 GLN HE22 H 6.586 0.030 2 337 35 35 GLN HG2 H 2.096 0.030 2 338 35 35 GLN HG3 H 1.707 0.030 2 339 35 35 GLN C C 174.354 0.300 1 340 35 35 GLN CA C 54.176 0.300 1 341 35 35 GLN CB C 29.456 0.300 1 342 35 35 GLN CG C 33.482 0.300 1 343 35 35 GLN N N 127.342 0.300 1 344 35 35 GLN NE2 N 113.225 0.300 1 345 36 36 LEU H H 7.761 0.030 1 346 36 36 LEU HA H 4.492 0.030 1 347 36 36 LEU HB2 H 1.623 0.030 2 348 36 36 LEU HB3 H 1.476 0.030 2 349 36 36 LEU HD1 H 0.614 0.030 1 350 36 36 LEU HD2 H 0.605 0.030 1 351 36 36 LEU HG H 1.483 0.030 1 352 36 36 LEU C C 175.543 0.300 1 353 36 36 LEU CA C 53.982 0.300 1 354 36 36 LEU CB C 42.776 0.300 1 355 36 36 LEU CD1 C 25.828 0.300 2 356 36 36 LEU CD2 C 23.146 0.300 2 357 36 36 LEU CG C 27.547 0.300 1 358 36 36 LEU N N 128.895 0.300 1 359 37 37 HIS H H 8.529 0.030 1 360 37 37 HIS HA H 4.851 0.030 1 361 37 37 HIS HB2 H 3.072 0.030 2 362 37 37 HIS HB3 H 2.966 0.030 2 363 37 37 HIS HD2 H 7.027 0.030 1 364 37 37 HIS C C 172.985 0.300 1 365 37 37 HIS CA C 55.833 0.300 1 366 37 37 HIS CB C 32.204 0.300 1 367 37 37 HIS CD2 C 120.164 0.300 1 368 37 37 HIS N N 115.903 0.300 1 369 38 38 ALA H H 8.474 0.030 1 370 38 38 ALA HA H 4.691 0.030 1 371 38 38 ALA HB H 0.418 0.030 1 372 38 38 ALA C C 175.548 0.300 1 373 38 38 ALA CA C 50.491 0.300 1 374 38 38 ALA CB C 19.842 0.300 1 375 38 38 ALA N N 128.891 0.300 1 376 39 39 THR H H 8.095 0.030 1 377 39 39 THR HA H 4.336 0.030 1 378 39 39 THR HB H 4.152 0.030 1 379 39 39 THR HG2 H 1.078 0.030 1 380 39 39 THR C C 173.553 0.300 1 381 39 39 THR CA C 60.417 0.300 1 382 39 39 THR CB C 70.912 0.300 1 383 39 39 THR CG2 C 21.284 0.300 1 384 39 39 THR N N 110.982 0.300 1 385 40 40 ASP H H 8.417 0.030 1 386 40 40 ASP HA H 4.553 0.030 1 387 40 40 ASP HB2 H 2.640 0.030 2 388 40 40 ASP HB3 H 2.554 0.030 2 389 40 40 ASP C C 176.462 0.300 1 390 40 40 ASP CA C 54.158 0.300 1 391 40 40 ASP CB C 41.517 0.300 1 392 40 40 ASP N N 121.450 0.300 1 393 41 41 ALA H H 8.435 0.030 1 394 41 41 ALA HA H 4.129 0.030 1 395 41 41 ALA HB H 1.335 0.030 1 396 41 41 ALA C C 177.718 0.300 1 397 41 41 ALA CA C 53.436 0.300 1 398 41 41 ALA CB C 19.183 0.300 1 399 41 41 ALA N N 124.607 0.300 1 400 42 42 ASP H H 8.310 0.030 1 401 42 42 ASP HA H 4.588 0.030 1 402 42 42 ASP HB2 H 2.714 0.030 2 403 42 42 ASP HB3 H 2.605 0.030 2 404 42 42 ASP C C 176.546 0.300 1 405 42 42 ASP CA C 54.599 0.300 1 406 42 42 ASP CB C 41.146 0.300 1 407 42 42 ASP N N 118.030 0.300 1 408 43 43 ILE H H 8.000 0.030 1 409 43 43 ILE HA H 4.130 0.030 1 410 43 43 ILE HB H 1.937 0.030 1 411 43 43 ILE HD1 H 0.803 0.030 1 412 43 43 ILE HG12 H 1.402 0.030 2 413 43 43 ILE HG13 H 1.174 0.030 2 414 43 43 ILE HG2 H 0.888 0.030 1 415 43 43 ILE C C 176.901 0.300 1 416 43 43 ILE CA C 61.740 0.300 1 417 43 43 ILE CB C 38.491 0.300 1 418 43 43 ILE CD1 C 13.241 0.300 1 419 43 43 ILE CG1 C 27.300 0.300 1 420 43 43 ILE CG2 C 17.744 0.300 1 421 43 43 ILE N N 119.301 0.300 1 422 44 44 GLY H H 8.448 0.030 1 423 44 44 GLY HA2 H 3.939 0.030 1 424 44 44 GLY HA3 H 3.939 0.030 1 425 44 44 GLY C C 174.393 0.300 1 426 44 44 GLY CA C 45.501 0.300 1 427 44 44 GLY N N 111.333 0.300 1 428 45 45 SER H H 8.061 0.030 1 429 45 45 SER HA H 4.416 0.030 1 430 45 45 SER HB2 H 3.893 0.030 2 431 45 45 SER HB3 H 3.835 0.030 2 432 45 45 SER C C 174.480 0.300 1 433 45 45 SER CA C 58.478 0.300 1 434 45 45 SER CB C 63.943 0.300 1 435 45 45 SER N N 115.551 0.300 1 436 46 46 ASN H H 8.547 0.030 1 437 46 46 ASN HA H 4.725 0.030 1 438 46 46 ASN HB2 H 2.792 0.030 2 439 46 46 ASN HB3 H 2.752 0.030 2 440 46 46 ASN HD21 H 6.918 0.030 2 441 46 46 ASN HD22 H 7.608 0.030 2 442 46 46 ASN C C 175.031 0.300 1 443 46 46 ASN CA C 53.277 0.300 1 444 46 46 ASN CB C 38.798 0.300 1 445 46 46 ASN N N 120.698 0.300 1 446 46 46 ASN ND2 N 113.089 0.300 1 447 47 47 ALA H H 8.239 0.030 1 448 47 47 ALA HA H 4.283 0.030 1 449 47 47 ALA HB H 1.376 0.030 1 450 47 47 ALA C C 177.240 0.300 1 451 47 47 ALA CA C 52.731 0.300 1 452 47 47 ALA CB C 19.594 0.300 1 453 47 47 ALA N N 124.093 0.300 1 454 48 48 GLU H H 8.376 0.030 1 455 48 48 GLU HA H 4.264 0.030 1 456 48 48 GLU HB2 H 2.018 0.030 2 457 48 48 GLU HB3 H 1.884 0.030 2 458 48 48 GLU HG2 H 2.267 0.030 2 459 48 48 GLU HG3 H 2.145 0.030 2 460 48 48 GLU C C 175.702 0.300 1 461 48 48 GLU CA C 55.992 0.300 1 462 48 48 GLU CB C 30.210 0.300 1 463 48 48 GLU CG C 36.448 0.300 1 464 48 48 GLU N N 119.750 0.300 1 465 49 49 ILE H H 7.806 0.030 1 466 49 49 ILE HA H 3.919 0.030 1 467 49 49 ILE HB H 1.532 0.030 1 468 49 49 ILE HD1 H 0.471 0.030 1 469 49 49 ILE HG12 H 1.314 0.030 2 470 49 49 ILE HG13 H 0.816 0.030 2 471 49 49 ILE HG2 H 0.053 0.030 1 472 49 49 ILE C C 175.894 0.300 1 473 49 49 ILE CA C 60.559 0.300 1 474 49 49 ILE CB C 37.860 0.300 1 475 49 49 ILE CD1 C 12.198 0.300 1 476 49 49 ILE CG1 C 28.414 0.300 1 477 49 49 ILE CG2 C 17.395 0.300 1 478 49 49 ILE N N 122.772 0.300 1 479 50 50 ARG H H 8.247 0.030 1 480 50 50 ARG HA H 4.999 0.030 1 481 50 50 ARG HB2 H 1.649 0.030 1 482 50 50 ARG HB3 H 1.649 0.030 1 483 50 50 ARG HD2 H 3.244 0.030 2 484 50 50 ARG HD3 H 3.013 0.030 2 485 50 50 ARG HG2 H 1.585 0.030 2 486 50 50 ARG HG3 H 1.475 0.030 2 487 50 50 ARG C C 174.603 0.300 1 488 50 50 ARG CA C 53.189 0.300 1 489 50 50 ARG CB C 33.152 0.300 1 490 50 50 ARG CD C 43.174 0.300 1 491 50 50 ARG CG C 27.223 0.300 1 492 50 50 ARG N N 126.912 0.300 1 493 51 51 TYR H H 9.041 0.030 1 494 51 51 TYR HA H 5.395 0.030 1 495 51 51 TYR HB2 H 2.746 0.030 2 496 51 51 TYR HB3 H 2.518 0.030 2 497 51 51 TYR HD1 H 6.744 0.030 1 498 51 51 TYR HD2 H 6.744 0.030 1 499 51 51 TYR HE1 H 6.405 0.030 1 500 51 51 TYR HE2 H 6.405 0.030 1 501 51 51 TYR C C 175.555 0.300 1 502 51 51 TYR CA C 56.909 0.300 1 503 51 51 TYR CB C 40.116 0.300 1 504 51 51 TYR CD1 C 132.904 0.300 1 505 51 51 TYR CD2 C 132.904 0.300 1 506 51 51 TYR CE1 C 117.233 0.300 1 507 51 51 TYR CE2 C 117.233 0.300 1 508 51 51 TYR N N 121.627 0.300 1 509 52 52 ILE H H 8.850 0.030 1 510 52 52 ILE HA H 4.576 0.030 1 511 52 52 ILE HB H 1.944 0.030 1 512 52 52 ILE HD1 H 0.837 0.030 1 513 52 52 ILE HG12 H 1.336 0.030 2 514 52 52 ILE HG13 H 1.068 0.030 2 515 52 52 ILE HG2 H 0.902 0.030 1 516 52 52 ILE C C 175.371 0.300 1 517 52 52 ILE CA C 59.624 0.300 1 518 52 52 ILE CB C 42.895 0.300 1 519 52 52 ILE CD1 C 13.462 0.300 1 520 52 52 ILE CG1 C 26.229 0.300 1 521 52 52 ILE CG2 C 17.617 0.300 1 522 52 52 ILE N N 117.697 0.300 1 523 53 53 PHE H H 8.748 0.030 1 524 53 53 PHE HA H 5.132 0.030 1 525 53 53 PHE HB2 H 3.254 0.030 2 526 53 53 PHE HB3 H 3.021 0.030 2 527 53 53 PHE HD1 H 7.424 0.030 1 528 53 53 PHE HD2 H 7.424 0.030 1 529 53 53 PHE HE1 H 7.257 0.030 1 530 53 53 PHE HE2 H 7.257 0.030 1 531 53 53 PHE HZ H 7.032 0.030 1 532 53 53 PHE C C 178.146 0.300 1 533 53 53 PHE CA C 57.667 0.300 1 534 53 53 PHE CB C 39.614 0.300 1 535 53 53 PHE CD1 C 131.047 0.300 1 536 53 53 PHE CD2 C 131.047 0.300 1 537 53 53 PHE CE1 C 131.285 0.300 1 538 53 53 PHE CE2 C 131.285 0.300 1 539 53 53 PHE CZ C 129.693 0.300 1 540 53 53 PHE N N 121.433 0.300 1 541 54 54 GLY H H 8.538 0.030 1 542 54 54 GLY HA2 H 4.074 0.030 2 543 54 54 GLY HA3 H 3.840 0.030 2 544 54 54 GLY C C 174.530 0.300 1 545 54 54 GLY CA C 44.884 0.300 1 546 54 54 GLY N N 106.444 0.300 1 547 55 55 ALA H H 8.594 0.030 1 548 55 55 ALA HA H 4.172 0.030 1 549 55 55 ALA HB H 1.482 0.030 1 550 55 55 ALA C C 178.718 0.300 1 551 55 55 ALA CA C 54.423 0.300 1 552 55 55 ALA CB C 19.059 0.300 1 553 55 55 ALA N N 123.470 0.300 1 554 56 56 GLN H H 8.727 0.030 1 555 56 56 GLN HA H 4.367 0.030 1 556 56 56 GLN HB2 H 2.255 0.030 2 557 56 56 GLN HB3 H 2.040 0.030 2 558 56 56 GLN HE21 H 7.575 0.030 2 559 56 56 GLN HE22 H 6.854 0.030 2 560 56 56 GLN HG2 H 2.359 0.030 1 561 56 56 GLN HG3 H 2.359 0.030 1 562 56 56 GLN C C 176.134 0.300 1 563 56 56 GLN CA C 55.660 0.300 1 564 56 56 GLN CB C 28.152 0.300 1 565 56 56 GLN CG C 34.291 0.300 1 566 56 56 GLN N N 114.221 0.300 1 567 56 56 GLN NE2 N 112.709 0.300 1 568 57 57 VAL H H 7.204 0.030 1 569 57 57 VAL HA H 3.889 0.030 1 570 57 57 VAL HB H 1.874 0.030 1 571 57 57 VAL HG1 H 1.297 0.030 1 572 57 57 VAL HG2 H 0.757 0.030 1 573 57 57 VAL C C 175.371 0.300 1 574 57 57 VAL CA C 63.908 0.300 1 575 57 57 VAL CB C 31.557 0.300 1 576 57 57 VAL CG1 C 24.529 0.300 2 577 57 57 VAL CG2 C 21.696 0.300 2 578 57 57 VAL N N 121.341 0.300 1 579 58 58 ALA H H 8.920 0.030 1 580 58 58 ALA HA H 4.547 0.030 1 581 58 58 ALA HB H 1.625 0.030 1 582 58 58 ALA C C 177.064 0.300 1 583 58 58 ALA CA C 51.173 0.300 1 584 58 58 ALA CB C 17.842 0.300 1 585 58 58 ALA N N 132.726 0.300 1 586 59 59 PRO HA H 4.101 0.030 1 587 59 59 PRO HB2 H 2.410 0.030 2 588 59 59 PRO HB3 H 2.008 0.030 2 589 59 59 PRO HD2 H 4.002 0.030 2 590 59 59 PRO HD3 H 3.917 0.030 2 591 59 59 PRO HG2 H 2.258 0.030 2 592 59 59 PRO HG3 H 2.106 0.030 2 593 59 59 PRO C C 179.482 0.300 1 594 59 59 PRO CA C 66.060 0.300 1 595 59 59 PRO CB C 31.951 0.300 1 596 59 59 PRO CD C 50.806 0.300 1 597 59 59 PRO CG C 27.795 0.300 1 598 60 60 ALA H H 8.706 0.030 1 599 60 60 ALA HA H 4.057 0.030 1 600 60 60 ALA HB H 1.487 0.030 1 601 60 60 ALA C C 179.627 0.300 1 602 60 60 ALA CA C 55.305 0.300 1 603 60 60 ALA CB C 18.737 0.300 1 604 60 60 ALA N N 117.882 0.300 1 605 61 61 THR H H 7.312 0.030 1 606 61 61 THR HA H 4.153 0.030 1 607 61 61 THR HB H 4.283 0.030 1 608 61 61 THR HG2 H 1.182 0.030 1 609 61 61 THR C C 175.824 0.300 1 610 61 61 THR CA C 66.412 0.300 1 611 61 61 THR CB C 68.787 0.300 1 612 61 61 THR CG2 C 23.836 0.300 1 613 61 61 THR N N 114.483 0.300 1 614 62 62 LYS H H 7.556 0.030 1 615 62 62 LYS HA H 3.943 0.030 1 616 62 62 LYS HB2 H 1.836 0.030 2 617 62 62 LYS HB3 H 1.698 0.030 2 618 62 62 LYS HD2 H 1.575 0.030 1 619 62 62 LYS HD3 H 1.575 0.030 1 620 62 62 LYS HE2 H 2.841 0.030 2 621 62 62 LYS HE3 H 2.714 0.030 2 622 62 62 LYS HG2 H 1.180 0.030 2 623 62 62 LYS HG3 H 0.785 0.030 2 624 62 62 LYS C C 176.884 0.300 1 625 62 62 LYS CA C 59.095 0.300 1 626 62 62 LYS CB C 32.204 0.300 1 627 62 62 LYS CD C 29.737 0.300 1 628 62 62 LYS CE C 41.858 0.300 1 629 62 62 LYS CG C 26.150 0.300 1 630 62 62 LYS N N 118.994 0.300 1 631 63 63 ARG H H 7.474 0.030 1 632 63 63 ARG HA H 4.034 0.030 1 633 63 63 ARG HB2 H 1.844 0.030 2 634 63 63 ARG HB3 H 1.743 0.030 2 635 63 63 ARG HD2 H 3.204 0.030 2 636 63 63 ARG HD3 H 3.159 0.030 2 637 63 63 ARG HG2 H 1.636 0.030 2 638 63 63 ARG HG3 H 1.466 0.030 2 639 63 63 ARG C C 177.574 0.300 1 640 63 63 ARG CA C 58.143 0.300 1 641 63 63 ARG CB C 30.755 0.300 1 642 63 63 ARG CD C 43.454 0.300 1 643 63 63 ARG CG C 28.181 0.300 1 644 63 63 ARG N N 114.251 0.300 1 645 64 64 LEU H H 6.991 0.030 1 646 64 64 LEU HA H 3.904 0.030 1 647 64 64 LEU HB2 H 1.100 0.030 2 648 64 64 LEU HB3 H 0.547 0.030 2 649 64 64 LEU HD1 H 0.781 0.030 1 650 64 64 LEU HD2 H 0.648 0.030 1 651 64 64 LEU HG H 1.712 0.030 1 652 64 64 LEU C C 176.632 0.300 1 653 64 64 LEU CA C 56.503 0.300 1 654 64 64 LEU CB C 42.929 0.300 1 655 64 64 LEU CD1 C 25.946 0.300 2 656 64 64 LEU CD2 C 22.987 0.300 2 657 64 64 LEU CG C 26.402 0.300 1 658 64 64 LEU N N 116.109 0.300 1 659 65 65 PHE H H 7.673 0.030 1 660 65 65 PHE HA H 5.386 0.030 1 661 65 65 PHE HB2 H 2.885 0.030 2 662 65 65 PHE HB3 H 2.605 0.030 2 663 65 65 PHE HD1 H 7.096 0.030 1 664 65 65 PHE HD2 H 7.096 0.030 1 665 65 65 PHE HE1 H 6.346 0.030 1 666 65 65 PHE HE2 H 6.346 0.030 1 667 65 65 PHE HZ H 6.616 0.030 1 668 65 65 PHE C C 173.067 0.300 1 669 65 65 PHE CA C 56.521 0.300 1 670 65 65 PHE CB C 41.270 0.300 1 671 65 65 PHE CD1 C 132.412 0.300 1 672 65 65 PHE CD2 C 132.412 0.300 1 673 65 65 PHE CE1 C 129.768 0.300 1 674 65 65 PHE CE2 C 129.768 0.300 1 675 65 65 PHE CZ C 129.210 0.300 1 676 65 65 PHE N N 116.182 0.300 1 677 66 66 ALA H H 8.914 0.030 1 678 66 66 ALA HA H 4.748 0.030 1 679 66 66 ALA HB H 1.228 0.030 1 680 66 66 ALA C C 175.223 0.300 1 681 66 66 ALA CA C 50.050 0.300 1 682 66 66 ALA CB C 21.161 0.300 1 683 66 66 ALA N N 122.870 0.300 1 684 67 67 LEU H H 8.498 0.030 1 685 67 67 LEU HA H 4.713 0.030 1 686 67 67 LEU HB2 H 1.008 0.030 2 687 67 67 LEU HB3 H 0.432 0.030 2 688 67 67 LEU HD1 H 0.289 0.030 1 689 67 67 LEU HD2 H 0.060 0.030 1 690 67 67 LEU HG H 0.744 0.030 1 691 67 67 LEU C C 175.146 0.300 1 692 67 67 LEU CA C 52.518 0.300 1 693 67 67 LEU CB C 45.308 0.300 1 694 67 67 LEU CD1 C 22.963 0.300 2 695 67 67 LEU CD2 C 27.224 0.300 2 696 67 67 LEU CG C 27.070 0.300 1 697 67 67 LEU N N 122.208 0.300 1 698 68 68 ASN H H 8.357 0.030 1 699 68 68 ASN HA H 4.679 0.030 1 700 68 68 ASN HB2 H 3.107 0.030 2 701 68 68 ASN HB3 H 2.604 0.030 2 702 68 68 ASN HD21 H 7.724 0.030 2 703 68 68 ASN HD22 H 7.188 0.030 2 704 68 68 ASN C C 176.228 0.300 1 705 68 68 ASN CA C 53.524 0.300 1 706 68 68 ASN CB C 39.580 0.300 1 707 68 68 ASN N N 126.940 0.300 1 708 68 68 ASN ND2 N 115.463 0.300 1 709 69 69 ASN H H 8.861 0.030 1 710 69 69 ASN HA H 5.137 0.030 1 711 69 69 ASN HB2 H 3.028 0.030 2 712 69 69 ASN HB3 H 2.906 0.030 2 713 69 69 ASN HD21 H 8.156 0.030 2 714 69 69 ASN HD22 H 7.064 0.030 2 715 69 69 ASN C C 175.631 0.300 1 716 69 69 ASN CA C 56.009 0.300 1 717 69 69 ASN CB C 40.314 0.300 1 718 69 69 ASN N N 124.980 0.300 1 719 69 69 ASN ND2 N 110.727 0.300 1 720 70 70 THR H H 8.635 0.030 1 721 70 70 THR HA H 4.815 0.030 1 722 70 70 THR HB H 4.367 0.030 1 723 70 70 THR HG2 H 1.259 0.030 1 724 70 70 THR C C 176.223 0.300 1 725 70 70 THR CA C 63.944 0.300 1 726 70 70 THR CB C 69.727 0.300 1 727 70 70 THR CG2 C 21.779 0.300 1 728 70 70 THR N N 110.394 0.300 1 729 71 71 THR H H 8.069 0.030 1 730 71 71 THR HA H 4.566 0.030 1 731 71 71 THR HB H 4.320 0.030 1 732 71 71 THR HG2 H 1.156 0.030 1 733 71 71 THR C C 176.213 0.300 1 734 71 71 THR CA C 61.683 0.300 1 735 71 71 THR CB C 70.832 0.300 1 736 71 71 THR CG2 C 20.842 0.300 1 737 71 71 THR N N 110.507 0.300 1 738 72 72 GLY H H 7.990 0.030 1 739 72 72 GLY HA2 H 3.186 0.030 2 740 72 72 GLY HA3 H 2.516 0.030 2 741 72 72 GLY C C 172.988 0.300 1 742 72 72 GLY CA C 45.149 0.300 1 743 72 72 GLY N N 110.788 0.300 1 744 73 73 LEU H H 7.138 0.030 1 745 73 73 LEU HA H 4.414 0.030 1 746 73 73 LEU HB2 H 1.614 0.030 2 747 73 73 LEU HB3 H 1.246 0.030 2 748 73 73 LEU HD1 H 0.805 0.030 1 749 73 73 LEU HD2 H 0.768 0.030 1 750 73 73 LEU HG H 1.264 0.030 1 751 73 73 LEU C C 176.836 0.300 1 752 73 73 LEU CA C 55.252 0.300 1 753 73 73 LEU CB C 43.574 0.300 1 754 73 73 LEU CD1 C 25.948 0.300 2 755 73 73 LEU CD2 C 22.191 0.300 2 756 73 73 LEU CG C 27.005 0.300 1 757 73 73 LEU N N 119.222 0.300 1 758 74 74 ILE H H 8.925 0.030 1 759 74 74 ILE HA H 5.555 0.030 1 760 74 74 ILE HB H 1.727 0.030 1 761 74 74 ILE HD1 H 0.591 0.030 1 762 74 74 ILE HG12 H 1.699 0.030 2 763 74 74 ILE HG13 H 0.729 0.030 2 764 74 74 ILE HG2 H 0.784 0.030 1 765 74 74 ILE C C 175.978 0.300 1 766 74 74 ILE CA C 60.100 0.300 1 767 74 74 ILE CB C 38.550 0.300 1 768 74 74 ILE CD1 C 12.837 0.300 1 769 74 74 ILE CG1 C 28.993 0.300 1 770 74 74 ILE CG2 C 16.841 0.300 1 771 74 74 ILE N N 129.871 0.300 1 772 75 75 THR H H 9.161 0.030 1 773 75 75 THR HA H 5.375 0.030 1 774 75 75 THR HB H 3.761 0.030 1 775 75 75 THR HG2 H 1.053 0.030 1 776 75 75 THR C C 174.798 0.300 1 777 75 75 THR CA C 58.796 0.300 1 778 75 75 THR CB C 72.978 0.300 1 779 75 75 THR CG2 C 22.871 0.300 1 780 75 75 THR N N 117.522 0.300 1 781 76 76 VAL H H 8.327 0.030 1 782 76 76 VAL HA H 3.973 0.030 1 783 76 76 VAL HB H 2.031 0.030 1 784 76 76 VAL HG1 H 0.950 0.030 1 785 76 76 VAL HG2 H 0.844 0.030 1 786 76 76 VAL C C 176.495 0.300 1 787 76 76 VAL CA C 64.085 0.300 1 788 76 76 VAL CB C 32.863 0.300 1 789 76 76 VAL CG1 C 22.685 0.300 2 790 76 76 VAL CG2 C 22.136 0.300 2 791 76 76 VAL N N 120.876 0.300 1 792 77 77 GLN H H 9.525 0.030 1 793 77 77 GLN HA H 4.702 0.030 1 794 77 77 GLN HB2 H 2.106 0.030 2 795 77 77 GLN HB3 H 1.629 0.030 2 796 77 77 GLN HE21 H 6.761 0.030 2 797 77 77 GLN HE22 H 6.460 0.030 2 798 77 77 GLN HG2 H 2.122 0.030 2 799 77 77 GLN HG3 H 2.068 0.030 2 800 77 77 GLN C C 173.838 0.300 1 801 77 77 GLN CA C 55.728 0.300 1 802 77 77 GLN CB C 30.762 0.300 1 803 77 77 GLN CG C 33.399 0.300 1 804 77 77 GLN N N 129.825 0.300 1 805 77 77 GLN NE2 N 111.466 0.300 1 806 78 78 ARG H H 7.621 0.030 1 807 78 78 ARG HA H 4.347 0.030 1 808 78 78 ARG HB2 H 1.809 0.030 2 809 78 78 ARG HB3 H 1.573 0.030 2 810 78 78 ARG HD2 H 3.161 0.030 2 811 78 78 ARG HD3 H 3.035 0.030 2 812 78 78 ARG HG2 H 1.653 0.030 2 813 78 78 ARG HG3 H 1.588 0.030 2 814 78 78 ARG C C 172.304 0.300 1 815 78 78 ARG CA C 54.634 0.300 1 816 78 78 ARG CB C 34.685 0.300 1 817 78 78 ARG CD C 43.536 0.300 1 818 78 78 ARG CG C 28.042 0.300 1 819 78 78 ARG N N 120.595 0.300 1 820 79 79 SER H H 7.958 0.030 1 821 79 79 SER HA H 4.030 0.030 1 822 79 79 SER HB2 H 3.891 0.030 2 823 79 79 SER HB3 H 3.702 0.030 2 824 79 79 SER C C 174.311 0.300 1 825 79 79 SER CA C 59.889 0.300 1 826 79 79 SER CB C 63.548 0.300 1 827 79 79 SER N N 112.565 0.300 1 828 80 80 LEU H H 8.715 0.030 1 829 80 80 LEU HA H 4.114 0.030 1 830 80 80 LEU HB2 H 2.468 0.030 2 831 80 80 LEU HB3 H 1.283 0.030 2 832 80 80 LEU HD1 H 0.999 0.030 1 833 80 80 LEU HD2 H 0.642 0.030 1 834 80 80 LEU HG H 1.918 0.030 1 835 80 80 LEU C C 176.057 0.300 1 836 80 80 LEU CA C 55.091 0.300 1 837 80 80 LEU CB C 42.341 0.300 1 838 80 80 LEU CD1 C 26.704 0.300 2 839 80 80 LEU CD2 C 25.240 0.300 2 840 80 80 LEU CG C 26.661 0.300 1 841 80 80 LEU N N 123.070 0.300 1 842 81 81 ASP H H 7.298 0.030 1 843 81 81 ASP HA H 4.725 0.030 1 844 81 81 ASP HB2 H 2.731 0.030 1 845 81 81 ASP HB3 H 2.731 0.030 1 846 81 81 ASP C C 175.939 0.300 1 847 81 81 ASP CA C 53.664 0.300 1 848 81 81 ASP CB C 42.947 0.300 1 849 81 81 ASP N N 115.229 0.300 1 850 82 82 ARG H H 9.289 0.030 1 851 82 82 ARG HA H 4.416 0.030 1 852 82 82 ARG HB2 H 1.860 0.030 2 853 82 82 ARG HB3 H 1.656 0.030 2 854 82 82 ARG HD2 H 3.170 0.030 2 855 82 82 ARG HD3 H 3.034 0.030 2 856 82 82 ARG HE H 7.443 0.030 1 857 82 82 ARG HG2 H 1.643 0.030 2 858 82 82 ARG HG3 H 1.516 0.030 2 859 82 82 ARG C C 176.406 0.300 1 860 82 82 ARG CA C 56.397 0.300 1 861 82 82 ARG CB C 30.638 0.300 1 862 82 82 ARG CD C 43.536 0.300 1 863 82 82 ARG CG C 27.557 0.300 1 864 82 82 ARG N N 123.174 0.300 1 865 82 82 ARG NE N 83.988 0.300 1 866 83 83 GLU H H 8.468 0.030 1 867 83 83 GLU HA H 3.982 0.030 1 868 83 83 GLU HB2 H 2.043 0.030 1 869 83 83 GLU HB3 H 2.043 0.030 1 870 83 83 GLU HG2 H 2.324 0.030 2 871 83 83 GLU HG3 H 2.210 0.030 2 872 83 83 GLU C C 177.740 0.300 1 873 83 83 GLU CA C 58.425 0.300 1 874 83 83 GLU CB C 29.701 0.300 1 875 83 83 GLU CG C 36.498 0.300 1 876 83 83 GLU N N 119.549 0.300 1 877 84 84 GLU H H 8.033 0.030 1 878 84 84 GLU HA H 4.206 0.030 1 879 84 84 GLU HB2 H 2.072 0.030 2 880 84 84 GLU HB3 H 1.946 0.030 2 881 84 84 GLU HG2 H 2.247 0.030 2 882 84 84 GLU HG3 H 2.180 0.030 2 883 84 84 GLU C C 176.837 0.300 1 884 84 84 GLU CA C 58.056 0.300 1 885 84 84 GLU CB C 30.432 0.300 1 886 84 84 GLU CG C 36.531 0.300 1 887 84 84 GLU N N 118.333 0.300 1 888 85 85 THR H H 7.651 0.030 1 889 85 85 THR HA H 4.307 0.030 1 890 85 85 THR HB H 3.980 0.030 1 891 85 85 THR HG2 H 0.544 0.030 1 892 85 85 THR C C 171.568 0.300 1 893 85 85 THR CA C 61.387 0.300 1 894 85 85 THR CB C 69.963 0.300 1 895 85 85 THR CG2 C 19.713 0.300 1 896 85 85 THR N N 112.444 0.300 1 897 86 86 ALA H H 8.639 0.030 1 898 86 86 ALA HA H 4.603 0.030 1 899 86 86 ALA HB H 1.560 0.030 1 900 86 86 ALA C C 175.560 0.300 1 901 86 86 ALA CA C 52.156 0.300 1 902 86 86 ALA CB C 20.378 0.300 1 903 86 86 ALA N N 127.705 0.300 1 904 87 87 ILE H H 7.663 0.030 1 905 87 87 ILE HA H 4.828 0.030 1 906 87 87 ILE HB H 1.548 0.030 1 907 87 87 ILE HD1 H 0.804 0.030 1 908 87 87 ILE HG12 H 1.412 0.030 2 909 87 87 ILE HG13 H 1.009 0.030 2 910 87 87 ILE HG2 H 0.674 0.030 1 911 87 87 ILE C C 174.537 0.300 1 912 87 87 ILE CA C 60.329 0.300 1 913 87 87 ILE CB C 41.090 0.300 1 914 87 87 ILE CD1 C 13.721 0.300 1 915 87 87 ILE CG1 C 27.484 0.300 1 916 87 87 ILE CG2 C 17.157 0.300 1 917 87 87 ILE N N 118.712 0.300 1 918 88 88 HIS H H 9.098 0.030 1 919 88 88 HIS HA H 4.576 0.030 1 920 88 88 HIS HB2 H 2.837 0.030 2 921 88 88 HIS HB3 H 2.757 0.030 2 922 88 88 HIS HD2 H 6.702 0.030 1 923 88 88 HIS HE1 H 7.455 0.030 1 924 88 88 HIS C C 174.354 0.300 1 925 88 88 HIS CA C 54.740 0.300 1 926 88 88 HIS CB C 33.955 0.300 1 927 88 88 HIS CD2 C 116.809 0.300 1 928 88 88 HIS CE1 C 137.877 0.300 1 929 88 88 HIS N N 126.285 0.300 1 930 89 89 LYS H H 8.957 0.030 1 931 89 89 LYS HA H 4.873 0.030 1 932 89 89 LYS HB2 H 1.694 0.030 1 933 89 89 LYS HB3 H 1.694 0.030 1 934 89 89 LYS HD2 H 1.611 0.030 2 935 89 89 LYS HD3 H 1.560 0.030 2 936 89 89 LYS HE2 H 2.827 0.030 1 937 89 89 LYS HE3 H 2.827 0.030 1 938 89 89 LYS HG2 H 1.337 0.030 2 939 89 89 LYS HG3 H 1.237 0.030 2 940 89 89 LYS C C 175.906 0.300 1 941 89 89 LYS CA C 55.269 0.300 1 942 89 89 LYS CB C 32.945 0.300 1 943 89 89 LYS CD C 29.066 0.300 1 944 89 89 LYS CE C 42.053 0.300 1 945 89 89 LYS CG C 24.828 0.300 1 946 89 89 LYS N N 124.332 0.300 1 947 90 90 VAL H H 9.174 0.030 1 948 90 90 VAL HA H 4.227 0.030 1 949 90 90 VAL HB H 2.046 0.030 1 950 90 90 VAL HG1 H 0.785 0.030 1 951 90 90 VAL HG2 H 0.643 0.030 1 952 90 90 VAL C C 174.168 0.300 1 953 90 90 VAL CA C 61.369 0.300 1 954 90 90 VAL CB C 34.082 0.300 1 955 90 90 VAL CG1 C 22.603 0.300 2 956 90 90 VAL CG2 C 21.207 0.300 2 957 90 90 VAL N N 124.319 0.300 1 958 91 91 THR H H 6.697 0.030 1 959 91 91 THR HA H 5.163 0.030 1 960 91 91 THR HB H 3.831 0.030 1 961 91 91 THR HG2 H 1.157 0.030 1 962 91 91 THR C C 173.812 0.300 1 963 91 91 THR CA C 61.935 0.300 1 964 91 91 THR CB C 70.412 0.300 1 965 91 91 THR CG2 C 21.607 0.300 1 966 91 91 THR N N 122.637 0.300 1 967 92 92 VAL H H 9.292 0.030 1 968 92 92 VAL HA H 4.736 0.030 1 969 92 92 VAL HB H 1.643 0.030 1 970 92 92 VAL HG1 H 1.013 0.030 1 971 92 92 VAL HG2 H 0.757 0.030 1 972 92 92 VAL C C 173.160 0.300 1 973 92 92 VAL CA C 60.982 0.300 1 974 92 92 VAL CB C 35.130 0.300 1 975 92 92 VAL CG1 C 22.297 0.300 2 976 92 92 VAL CG2 C 21.874 0.300 2 977 92 92 VAL N N 128.265 0.300 1 978 93 93 LEU H H 9.495 0.030 1 979 93 93 LEU HA H 5.628 0.030 1 980 93 93 LEU HB2 H 1.720 0.030 2 981 93 93 LEU HB3 H 1.283 0.030 2 982 93 93 LEU HD1 H 0.919 0.030 1 983 93 93 LEU HD2 H 0.861 0.030 1 984 93 93 LEU HG H 1.563 0.030 1 985 93 93 LEU C C 176.274 0.300 1 986 93 93 LEU CA C 52.773 0.300 1 987 93 93 LEU CB C 43.454 0.300 1 988 93 93 LEU CD1 C 25.375 0.300 2 989 93 93 LEU CD2 C 24.086 0.300 2 990 93 93 LEU CG C 28.099 0.300 1 991 93 93 LEU N N 126.350 0.300 1 992 94 94 ALA H H 8.688 0.030 1 993 94 94 ALA HA H 4.986 0.030 1 994 94 94 ALA HB H 0.561 0.030 1 995 94 94 ALA C C 175.787 0.300 1 996 94 94 ALA CA C 49.610 0.300 1 997 94 94 ALA CB C 21.463 0.300 1 998 94 94 ALA N N 123.429 0.300 1 999 95 95 SER H H 8.401 0.030 1 1000 95 95 SER HA H 4.828 0.030 1 1001 95 95 SER HB2 H 3.654 0.030 1 1002 95 95 SER HB3 H 3.654 0.030 1 1003 95 95 SER C C 174.327 0.300 1 1004 95 95 SER CA C 56.239 0.300 1 1005 95 95 SER CB C 65.561 0.300 1 1006 95 95 SER N N 114.418 0.300 1 1007 96 96 ASP H H 8.690 0.030 1 1008 96 96 ASP HA H 4.908 0.030 1 1009 96 96 ASP HB2 H 2.966 0.030 2 1010 96 96 ASP HB3 H 2.191 0.030 2 1011 96 96 ASP C C 177.096 0.300 1 1012 96 96 ASP CA C 52.818 0.300 1 1013 96 96 ASP CB C 41.253 0.300 1 1014 96 96 ASP N N 125.624 0.300 1 1015 97 97 GLY H H 8.524 0.030 1 1016 97 97 GLY HA2 H 4.320 0.030 2 1017 97 97 GLY HA3 H 3.620 0.030 2 1018 97 97 GLY C C 174.620 0.300 1 1019 97 97 GLY CA C 45.422 0.300 1 1020 97 97 GLY N N 109.283 0.300 1 1021 98 98 SER H H 8.575 0.030 1 1022 98 98 SER HA H 4.607 0.030 1 1023 98 98 SER HB2 H 3.878 0.030 2 1024 98 98 SER HB3 H 3.797 0.030 2 1025 98 98 SER C C 174.478 0.300 1 1026 98 98 SER CA C 59.095 0.300 1 1027 98 98 SER CB C 64.800 0.300 1 1028 98 98 SER N N 116.640 0.300 1 1029 99 99 SER H H 8.945 0.030 1 1030 99 99 SER HA H 4.530 0.030 1 1031 99 99 SER HB2 H 3.972 0.030 1 1032 99 99 SER HB3 H 3.972 0.030 1 1033 99 99 SER C C 174.491 0.300 1 1034 99 99 SER CA C 58.460 0.300 1 1035 99 99 SER CB C 64.146 0.300 1 1036 99 99 SER N N 117.676 0.300 1 1037 100 100 THR H H 8.411 0.030 1 1038 100 100 THR HA H 4.490 0.030 1 1039 100 100 THR HB H 4.061 0.030 1 1040 100 100 THR HG2 H 1.270 0.030 1 1041 100 100 THR C C 172.766 0.300 1 1042 100 100 THR CA C 60.629 0.300 1 1043 100 100 THR CB C 69.778 0.300 1 1044 100 100 THR CG2 C 21.411 0.300 1 1045 100 100 THR N N 118.401 0.300 1 1046 101 101 PRO HA H 4.631 0.030 1 1047 101 101 PRO HB2 H 2.113 0.030 2 1048 101 101 PRO HB3 H 1.830 0.030 2 1049 101 101 PRO HD2 H 3.860 0.030 2 1050 101 101 PRO HD3 H 3.703 0.030 2 1051 101 101 PRO HG2 H 1.990 0.030 1 1052 101 101 PRO HG3 H 1.990 0.030 1 1053 101 101 PRO C C 177.227 0.300 1 1054 101 101 PRO CA C 63.097 0.300 1 1055 101 101 PRO CB C 32.917 0.300 1 1056 101 101 PRO CD C 51.102 0.300 1 1057 101 101 PRO CG C 27.263 0.300 1 1058 102 102 ALA H H 8.497 0.030 1 1059 102 102 ALA HA H 4.619 0.030 1 1060 102 102 ALA HB H 1.395 0.030 1 1061 102 102 ALA C C 176.542 0.300 1 1062 102 102 ALA CA C 51.390 0.300 1 1063 102 102 ALA CB C 20.815 0.300 1 1064 102 102 ALA N N 124.487 0.300 1 1065 103 103 ARG H H 8.663 0.030 1 1066 103 103 ARG HA H 5.515 0.030 1 1067 103 103 ARG HB2 H 1.722 0.030 2 1068 103 103 ARG HB3 H 1.628 0.030 2 1069 103 103 ARG HD2 H 3.168 0.030 2 1070 103 103 ARG HD3 H 3.106 0.030 2 1071 103 103 ARG HG2 H 1.520 0.030 2 1072 103 103 ARG HG3 H 1.432 0.030 2 1073 103 103 ARG C C 174.539 0.300 1 1074 103 103 ARG CA C 55.164 0.300 1 1075 103 103 ARG CB C 34.393 0.300 1 1076 103 103 ARG CD C 43.701 0.300 1 1077 103 103 ARG CG C 27.218 0.300 1 1078 103 103 ARG N N 119.596 0.300 1 1079 104 104 ALA H H 9.027 0.030 1 1080 104 104 ALA HA H 4.782 0.030 1 1081 104 104 ALA HB H 0.275 0.030 1 1082 104 104 ALA C C 176.276 0.300 1 1083 104 104 ALA CA C 50.297 0.300 1 1084 104 104 ALA CB C 20.810 0.300 1 1085 104 104 ALA N N 126.962 0.300 1 1086 105 105 THR H H 8.384 0.030 1 1087 105 105 THR HA H 4.954 0.030 1 1088 105 105 THR HB H 3.959 0.030 1 1089 105 105 THR HG2 H 1.052 0.030 1 1090 105 105 THR C C 173.243 0.300 1 1091 105 105 THR CA C 61.475 0.300 1 1092 105 105 THR CB C 70.569 0.300 1 1093 105 105 THR CG2 C 21.331 0.300 1 1094 105 105 THR N N 115.327 0.300 1 1095 106 106 VAL H H 8.970 0.030 1 1096 106 106 VAL HA H 4.702 0.030 1 1097 106 106 VAL HB H 1.766 0.030 1 1098 106 106 VAL HG1 H 0.546 0.030 1 1099 106 106 VAL HG2 H 0.597 0.030 1 1100 106 106 VAL C C 174.743 0.300 1 1101 106 106 VAL CA C 59.712 0.300 1 1102 106 106 VAL CB C 34.327 0.300 1 1103 106 106 VAL CG1 C 20.872 0.300 2 1104 106 106 VAL CG2 C 20.716 0.300 2 1105 106 106 VAL N N 126.226 0.300 1 1106 107 107 THR H H 8.833 0.030 1 1107 107 107 THR HA H 4.862 0.030 1 1108 107 107 THR HB H 3.894 0.030 1 1109 107 107 THR HG2 H 1.024 0.030 1 1110 107 107 THR C C 172.970 0.300 1 1111 107 107 THR CA C 62.322 0.300 1 1112 107 107 THR CB C 69.463 0.300 1 1113 107 107 THR CG2 C 21.785 0.300 1 1114 107 107 THR N N 125.403 0.300 1 1115 108 108 ILE H H 9.234 0.030 1 1116 108 108 ILE HA H 4.178 0.030 1 1117 108 108 ILE HB H 1.474 0.030 1 1118 108 108 ILE HD1 H -0.257 0.030 1 1119 108 108 ILE HG12 H 1.190 0.030 2 1120 108 108 ILE HG13 H 0.161 0.030 2 1121 108 108 ILE HG2 H 0.479 0.030 1 1122 108 108 ILE C C 174.087 0.300 1 1123 108 108 ILE CA C 60.365 0.300 1 1124 108 108 ILE CB C 39.745 0.300 1 1125 108 108 ILE CD1 C 12.876 0.300 1 1126 108 108 ILE CG1 C 26.923 0.300 1 1127 108 108 ILE CG2 C 17.808 0.300 1 1128 108 108 ILE N N 127.152 0.300 1 1129 109 109 ASN H H 8.723 0.030 1 1130 109 109 ASN HA H 5.147 0.030 1 1131 109 109 ASN HB2 H 2.518 0.030 2 1132 109 109 ASN HB3 H 2.406 0.030 2 1133 109 109 ASN HD21 H 7.317 0.030 2 1134 109 109 ASN HD22 H 6.131 0.030 2 1135 109 109 ASN C C 173.592 0.300 1 1136 109 109 ASN CA C 52.501 0.300 1 1137 109 109 ASN CB C 40.791 0.300 1 1138 109 109 ASN N N 126.866 0.300 1 1139 109 109 ASN ND2 N 113.452 0.300 1 1140 110 110 VAL H H 9.046 0.030 1 1141 110 110 VAL HA H 5.081 0.030 1 1142 110 110 VAL HB H 2.234 0.030 1 1143 110 110 VAL HG1 H 0.980 0.030 1 1144 110 110 VAL HG2 H 1.144 0.030 1 1145 110 110 VAL C C 176.921 0.300 1 1146 110 110 VAL CA C 61.634 0.300 1 1147 110 110 VAL CB C 31.809 0.300 1 1148 110 110 VAL CG1 C 22.116 0.300 2 1149 110 110 VAL CG2 C 21.302 0.300 2 1150 110 110 VAL N N 126.070 0.300 1 1151 111 111 THR H H 9.197 0.030 1 1152 111 111 THR HA H 4.566 0.030 1 1153 111 111 THR HB H 4.419 0.030 1 1154 111 111 THR HG2 H 1.194 0.030 1 1155 111 111 THR C C 174.087 0.300 1 1156 111 111 THR CA C 61.145 0.300 1 1157 111 111 THR CB C 70.706 0.300 1 1158 111 111 THR CG2 C 21.861 0.300 1 1159 111 111 THR N N 121.425 0.300 1 1160 112 112 ASP H H 8.435 0.030 1 1161 112 112 ASP HA H 4.656 0.030 1 1162 112 112 ASP HB2 H 2.724 0.030 2 1163 112 112 ASP HB3 H 2.565 0.030 2 1164 112 112 ASP C C 176.745 0.300 1 1165 112 112 ASP CA C 54.158 0.300 1 1166 112 112 ASP CB C 41.575 0.300 1 1167 112 112 ASP N N 119.566 0.300 1 1168 113 113 VAL H H 8.629 0.030 1 1169 113 113 VAL HA H 4.078 0.030 1 1170 113 113 VAL HB H 2.146 0.030 1 1171 113 113 VAL HG1 H 0.970 0.030 1 1172 113 113 VAL HG2 H 0.938 0.030 1 1173 113 113 VAL C C 175.247 0.300 1 1174 113 113 VAL CA C 62.533 0.300 1 1175 113 113 VAL CB C 32.534 0.300 1 1176 113 113 VAL CG1 C 21.816 0.300 2 1177 113 113 VAL CG2 C 20.246 0.300 2 1178 113 113 VAL N N 119.356 0.300 1 1179 114 114 ASN H H 8.093 0.030 1 1180 114 114 ASN HA H 4.490 0.030 1 1181 114 114 ASN HB2 H 2.730 0.030 2 1182 114 114 ASN HB3 H 2.679 0.030 2 1183 114 114 ASN HD21 H 7.544 0.030 2 1184 114 114 ASN HD22 H 6.839 0.030 2 1185 114 114 ASN C C 179.589 0.300 1 1186 114 114 ASN CA C 54.775 0.300 1 1187 114 114 ASN CB C 40.816 0.300 1 1188 114 114 ASN N N 127.458 0.300 1 1189 114 114 ASN ND2 N 113.052 0.300 1 stop_ save_