data_11120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the third fibronectin type III domain of human Neogenin ; _BMRB_accession_number 11120 _BMRB_flat_file_name bmr11120.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tochio N. . . 2 Sasagawa A. . . 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" 691 "13C chemical shifts" 531 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the third fibronectin type III domain of human Neogenin ; _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 Tochio N. . . 2 Sasagawa A. . . 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 Neogenin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 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 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; GSSGSSGDVAVRTLSDVPSA APQNLSLEVRNSKSIMIHWQ PPAPATQNGQITGYKIRYRK ASRKSDVTETLVSGTQLSQL IEGLDRGTEYNFRVAALTIN GTGPATDWLSAETFESDLDE TRVPEVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 VAL 10 ALA 11 VAL 12 ARG 13 THR 14 LEU 15 SER 16 ASP 17 VAL 18 PRO 19 SER 20 ALA 21 ALA 22 PRO 23 GLN 24 ASN 25 LEU 26 SER 27 LEU 28 GLU 29 VAL 30 ARG 31 ASN 32 SER 33 LYS 34 SER 35 ILE 36 MET 37 ILE 38 HIS 39 TRP 40 GLN 41 PRO 42 PRO 43 ALA 44 PRO 45 ALA 46 THR 47 GLN 48 ASN 49 GLY 50 GLN 51 ILE 52 THR 53 GLY 54 TYR 55 LYS 56 ILE 57 ARG 58 TYR 59 ARG 60 LYS 61 ALA 62 SER 63 ARG 64 LYS 65 SER 66 ASP 67 VAL 68 THR 69 GLU 70 THR 71 LEU 72 VAL 73 SER 74 GLY 75 THR 76 GLN 77 LEU 78 SER 79 GLN 80 LEU 81 ILE 82 GLU 83 GLY 84 LEU 85 ASP 86 ARG 87 GLY 88 THR 89 GLU 90 TYR 91 ASN 92 PHE 93 ARG 94 VAL 95 ALA 96 ALA 97 LEU 98 THR 99 ILE 100 ASN 101 GLY 102 THR 103 GLY 104 PRO 105 ALA 106 THR 107 ASP 108 TRP 109 LEU 110 SER 111 ALA 112 GLU 113 THR 114 PHE 115 GLU 116 SER 117 ASP 118 LEU 119 ASP 120 GLU 121 THR 122 ARG 123 VAL 124 PRO 125 GLU 126 VAL 127 SER 128 GLY 129 PRO 130 SER 131 SER 132 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X5H "The Solution Structure Of The Third Fibronectin Type Iii Domain Of Human Neogenin" 100.00 132 100.00 100.00 3.16e-89 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P041213-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.5mM FN3 domain {U-15N,13C;} 20mM {d-Tris HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 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 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version 0.9295 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # 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 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 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 'fn3 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 4.493 0.030 1 2 6 6 SER HB2 H 3.932 0.030 2 3 6 6 SER HB3 H 3.882 0.030 2 4 6 6 SER C C 175.086 0.300 1 5 6 6 SER CA C 58.974 0.300 1 6 6 6 SER CB C 63.792 0.300 1 7 7 7 GLY H H 8.393 0.030 1 8 7 7 GLY HA2 H 3.958 0.030 2 9 7 7 GLY C C 173.876 0.300 1 10 7 7 GLY CA C 45.318 0.300 1 11 7 7 GLY N N 110.615 0.300 1 12 8 8 ASP H H 8.197 0.030 1 13 8 8 ASP HA H 4.611 0.030 1 14 8 8 ASP HB2 H 2.698 0.030 2 15 8 8 ASP HB3 H 2.599 0.030 2 16 8 8 ASP C C 176.326 0.300 1 17 8 8 ASP CA C 54.504 0.300 1 18 8 8 ASP CB C 41.254 0.300 1 19 8 8 ASP N N 120.755 0.300 1 20 9 9 VAL H H 8.047 0.030 1 21 9 9 VAL HA H 4.069 0.030 1 22 9 9 VAL HB H 2.085 0.030 1 23 9 9 VAL HG1 H 0.917 0.030 1 24 9 9 VAL HG2 H 0.928 0.030 1 25 9 9 VAL C C 175.918 0.300 1 26 9 9 VAL CA C 62.303 0.300 1 27 9 9 VAL CB C 32.697 0.300 1 28 9 9 VAL CG1 C 21.130 0.300 2 29 9 9 VAL CG2 C 20.710 0.300 2 30 9 9 VAL N N 120.091 0.300 1 31 10 10 ALA H H 8.328 0.030 1 32 10 10 ALA HA H 4.316 0.030 1 33 10 10 ALA HB H 1.353 0.030 1 34 10 10 ALA C C 177.682 0.300 1 35 10 10 ALA CA C 52.530 0.300 1 36 10 10 ALA CB C 19.210 0.300 1 37 10 10 ALA N N 127.493 0.300 1 38 11 11 VAL H H 8.078 0.030 1 39 11 11 VAL HA H 4.056 0.030 1 40 11 11 VAL HB H 2.041 0.030 1 41 11 11 VAL HG1 H 0.921 0.030 1 42 11 11 VAL HG2 H 0.935 0.030 1 43 11 11 VAL C C 176.162 0.300 1 44 11 11 VAL CA C 62.381 0.300 1 45 11 11 VAL CB C 32.714 0.300 1 46 11 11 VAL CG1 C 21.117 0.300 2 47 11 11 VAL CG2 C 20.470 0.300 2 48 11 11 VAL N N 119.851 0.300 1 49 12 12 ARG H H 8.403 0.030 1 50 12 12 ARG HA H 4.426 0.030 1 51 12 12 ARG HB2 H 1.838 0.030 2 52 12 12 ARG HB3 H 1.754 0.030 2 53 12 12 ARG HD2 H 3.175 0.030 2 54 12 12 ARG HG2 H 1.647 0.030 2 55 12 12 ARG HG3 H 1.589 0.030 2 56 12 12 ARG C C 176.247 0.300 1 57 12 12 ARG CA C 55.940 0.300 1 58 12 12 ARG CB C 31.015 0.300 1 59 12 12 ARG CD C 43.290 0.300 1 60 12 12 ARG CG C 27.061 0.300 1 61 12 12 ARG N N 125.241 0.300 1 62 13 13 THR H H 8.275 0.030 1 63 13 13 THR HA H 4.322 0.030 1 64 13 13 THR HB H 4.172 0.030 1 65 13 13 THR HG2 H 0.921 0.030 1 66 13 13 THR C C 174.442 0.300 1 67 13 13 THR CA C 61.825 0.300 1 68 13 13 THR CB C 69.981 0.300 1 69 13 13 THR CG2 C 21.624 0.300 1 70 13 13 THR N N 116.479 0.300 1 71 14 14 LEU H H 8.332 0.030 1 72 14 14 LEU HA H 4.395 0.030 1 73 14 14 LEU HB2 H 1.627 0.030 2 74 14 14 LEU HB3 H 1.567 0.030 2 75 14 14 LEU HD1 H 0.896 0.030 1 76 14 14 LEU HD2 H 0.848 0.030 1 77 14 14 LEU HG H 1.600 0.030 1 78 14 14 LEU C C 177.132 0.300 1 79 14 14 LEU CA C 55.212 0.300 1 80 14 14 LEU CB C 42.301 0.300 1 81 14 14 LEU CD1 C 25.002 0.300 2 82 14 14 LEU CD2 C 23.394 0.300 2 83 14 14 LEU CG C 26.896 0.300 1 84 14 14 LEU N N 124.706 0.300 1 85 15 15 SER H H 8.225 0.030 1 86 15 15 SER HA H 4.444 0.030 1 87 15 15 SER HB2 H 3.831 0.030 2 88 15 15 SER HB3 H 3.784 0.030 2 89 15 15 SER C C 173.907 0.300 1 90 15 15 SER CA C 58.125 0.300 1 91 15 15 SER CB C 63.924 0.300 1 92 15 15 SER N N 115.960 0.300 1 93 16 16 ASP H H 8.269 0.030 1 94 16 16 ASP HA H 4.698 0.030 1 95 16 16 ASP HB2 H 2.656 0.030 2 96 16 16 ASP HB3 H 2.635 0.030 2 97 16 16 ASP C C 175.579 0.300 1 98 16 16 ASP CA C 53.752 0.300 1 99 16 16 ASP CB C 41.071 0.300 1 100 16 16 ASP N N 122.071 0.300 1 101 17 17 VAL H H 7.837 0.030 1 102 17 17 VAL HA H 4.374 0.030 1 103 17 17 VAL HB H 1.939 0.030 1 104 17 17 VAL HG1 H 0.799 0.030 1 105 17 17 VAL HG2 H 0.809 0.030 1 106 17 17 VAL C C 173.570 0.300 1 107 17 17 VAL CA C 59.518 0.300 1 108 17 17 VAL CB C 32.566 0.300 1 109 17 17 VAL CG1 C 21.186 0.300 2 110 17 17 VAL CG2 C 19.581 0.300 2 111 17 17 VAL N N 118.396 0.300 1 112 18 18 PRO HA H 4.582 0.030 1 113 18 18 PRO HB2 H 2.379 0.030 2 114 18 18 PRO HD2 H 3.453 0.030 2 115 18 18 PRO HD3 H 3.900 0.030 2 116 18 18 PRO HG2 H 1.818 0.030 2 117 18 18 PRO HG3 H 2.049 0.030 2 118 18 18 PRO C C 176.520 0.300 1 119 18 18 PRO CA C 63.651 0.300 1 120 18 18 PRO CB C 32.034 0.300 1 121 18 18 PRO CD C 50.846 0.300 1 122 18 18 PRO CG C 27.549 0.300 1 123 19 19 SER H H 8.807 0.030 1 124 19 19 SER HA H 4.467 0.030 1 125 19 19 SER HB2 H 3.800 0.030 2 126 19 19 SER HB3 H 4.067 0.030 2 127 19 19 SER C C 173.863 0.300 1 128 19 19 SER CA C 57.962 0.300 1 129 19 19 SER CB C 64.105 0.300 1 130 19 19 SER N N 114.923 0.300 1 131 20 20 ALA H H 7.863 0.030 1 132 20 20 ALA HA H 4.665 0.030 1 133 20 20 ALA HB H 1.511 0.030 1 134 20 20 ALA C C 175.661 0.300 1 135 20 20 ALA CA C 51.068 0.300 1 136 20 20 ALA CB C 21.678 0.300 1 137 20 20 ALA N N 123.390 0.300 1 138 21 21 ALA H H 8.148 0.030 1 139 21 21 ALA HA H 4.753 0.030 1 140 21 21 ALA HB H 1.152 0.030 1 141 21 21 ALA C C 175.245 0.300 1 142 21 21 ALA CA C 50.306 0.300 1 143 21 21 ALA CB C 17.638 0.300 1 144 21 21 ALA N N 122.575 0.300 1 145 22 22 PRO HA H 4.261 0.030 1 146 22 22 PRO HB2 H 2.655 0.030 2 147 22 22 PRO HB3 H 1.383 0.030 2 148 22 22 PRO HD2 H 3.611 0.030 2 149 22 22 PRO HD3 H 4.363 0.030 2 150 22 22 PRO HG2 H 1.757 0.030 2 151 22 22 PRO HG3 H 1.633 0.030 2 152 22 22 PRO C C 173.685 0.300 1 153 22 22 PRO CA C 63.603 0.300 1 154 22 22 PRO CB C 31.592 0.300 1 155 22 22 PRO CD C 49.962 0.300 1 156 22 22 PRO CG C 28.992 0.300 1 157 23 23 GLN H H 7.763 0.030 1 158 23 23 GLN HA H 4.462 0.030 1 159 23 23 GLN HB2 H 2.076 0.030 2 160 23 23 GLN HB3 H 1.672 0.030 2 161 23 23 GLN HE21 H 7.671 0.030 2 162 23 23 GLN HE22 H 7.047 0.030 2 163 23 23 GLN HG2 H 2.516 0.030 2 164 23 23 GLN HG3 H 2.246 0.030 2 165 23 23 GLN C C 174.862 0.300 1 166 23 23 GLN CA C 54.640 0.300 1 167 23 23 GLN CB C 33.625 0.300 1 168 23 23 GLN CG C 35.508 0.300 1 169 23 23 GLN N N 117.979 0.300 1 170 23 23 GLN NE2 N 113.040 0.300 1 171 24 24 ASN H H 8.874 0.030 1 172 24 24 ASN HA H 4.260 0.030 1 173 24 24 ASN HB2 H 2.840 0.030 2 174 24 24 ASN HB3 H 2.412 0.030 2 175 24 24 ASN HD21 H 7.317 0.030 2 176 24 24 ASN HD22 H 6.821 0.030 2 177 24 24 ASN C C 173.755 0.300 1 178 24 24 ASN CA C 54.009 0.300 1 179 24 24 ASN CB C 37.477 0.300 1 180 24 24 ASN N N 114.922 0.300 1 181 24 24 ASN ND2 N 112.040 0.300 1 182 25 25 LEU H H 8.167 0.030 1 183 25 25 LEU HA H 5.011 0.030 1 184 25 25 LEU HB2 H 1.923 0.030 2 185 25 25 LEU HB3 H 1.296 0.030 2 186 25 25 LEU HD1 H 1.054 0.030 1 187 25 25 LEU HD2 H 1.020 0.030 1 188 25 25 LEU HG H 1.530 0.030 1 189 25 25 LEU C C 176.968 0.300 1 190 25 25 LEU CA C 56.146 0.300 1 191 25 25 LEU CB C 42.614 0.300 1 192 25 25 LEU CD1 C 25.014 0.300 2 193 25 25 LEU CD2 C 27.062 0.300 2 194 25 25 LEU CG C 27.210 0.300 1 195 25 25 LEU N N 120.015 0.300 1 196 26 26 SER H H 9.495 0.030 1 197 26 26 SER HA H 4.639 0.030 1 198 26 26 SER HB2 H 3.613 0.030 1 199 26 26 SER HB3 H 3.613 0.030 1 200 26 26 SER C C 171.550 0.300 1 201 26 26 SER CA C 57.667 0.300 1 202 26 26 SER CB C 65.778 0.300 1 203 26 26 SER N N 121.389 0.300 1 204 27 27 LEU H H 8.476 0.030 1 205 27 27 LEU HA H 5.001 0.030 1 206 27 27 LEU HB2 H 1.663 0.030 2 207 27 27 LEU HB3 H 0.821 0.030 2 208 27 27 LEU HD1 H 0.805 0.030 1 209 27 27 LEU HD2 H 0.362 0.030 1 210 27 27 LEU HG H 1.481 0.030 1 211 27 27 LEU C C 175.939 0.300 1 212 27 27 LEU CA C 52.982 0.300 1 213 27 27 LEU CB C 44.248 0.300 1 214 27 27 LEU CD1 C 26.894 0.300 2 215 27 27 LEU CD2 C 24.594 0.300 2 216 27 27 LEU CG C 27.246 0.300 1 217 27 27 LEU N N 120.684 0.300 1 218 28 28 GLU H H 9.140 0.030 1 219 28 28 GLU HA H 4.612 0.030 1 220 28 28 GLU HB2 H 2.053 0.030 2 221 28 28 GLU HB3 H 1.888 0.030 2 222 28 28 GLU HG2 H 2.239 0.030 2 223 28 28 GLU HG3 H 1.882 0.030 2 224 28 28 GLU C C 174.740 0.300 1 225 28 28 GLU CA C 54.053 0.300 1 226 28 28 GLU CB C 32.353 0.300 1 227 28 28 GLU CG C 35.799 0.300 1 228 28 28 GLU N N 124.326 0.300 1 229 29 29 VAL H H 9.147 0.030 1 230 29 29 VAL HA H 3.628 0.030 1 231 29 29 VAL HB H 1.820 0.030 1 232 29 29 VAL HG1 H 0.379 0.030 1 233 29 29 VAL HG2 H 0.836 0.030 1 234 29 29 VAL C C 175.766 0.300 1 235 29 29 VAL CA C 64.667 0.300 1 236 29 29 VAL CB C 31.278 0.300 1 237 29 29 VAL CG1 C 21.736 0.300 2 238 29 29 VAL CG2 C 21.421 0.300 2 239 29 29 VAL N N 129.675 0.300 1 240 30 30 ARG H H 7.852 0.030 1 241 30 30 ARG HA H 4.373 0.030 1 242 30 30 ARG HB2 H 1.650 0.030 1 243 30 30 ARG HB3 H 1.650 0.030 1 244 30 30 ARG HD2 H 3.052 0.030 1 245 30 30 ARG HD3 H 3.052 0.030 1 246 30 30 ARG HE H 7.338 0.030 1 247 30 30 ARG HG2 H 1.470 0.030 1 248 30 30 ARG HG3 H 1.470 0.030 1 249 30 30 ARG C C 175.899 0.300 1 250 30 30 ARG CA C 56.141 0.300 1 251 30 30 ARG CB C 30.936 0.300 1 252 30 30 ARG CD C 42.361 0.300 1 253 30 30 ARG CG C 26.527 0.300 1 254 30 30 ARG N N 126.651 0.300 1 255 30 30 ARG NE N 83.415 0.300 1 256 31 31 ASN H H 7.781 0.030 1 257 31 31 ASN HA H 4.686 0.030 1 258 31 31 ASN HB2 H 3.571 0.030 1 259 31 31 ASN HB3 H 3.571 0.030 1 260 31 31 ASN HD21 H 7.962 0.030 2 261 31 31 ASN HD22 H 7.077 0.030 2 262 31 31 ASN C C 174.103 0.300 1 263 31 31 ASN CA C 53.333 0.300 1 264 31 31 ASN CB C 36.980 0.300 1 265 31 31 ASN N N 114.233 0.300 1 266 31 31 ASN ND2 N 115.537 0.300 1 267 32 32 SER H H 9.183 0.030 1 268 32 32 SER HA H 4.559 0.030 1 269 32 32 SER HB2 H 4.023 0.030 2 270 32 32 SER HB3 H 3.460 0.030 2 271 32 32 SER C C 172.564 0.300 1 272 32 32 SER CA C 60.547 0.300 1 273 32 32 SER CB C 64.393 0.300 1 274 32 32 SER N N 112.308 0.300 1 275 33 33 LYS H H 7.685 0.030 1 276 33 33 LYS HA H 4.801 0.030 1 277 33 33 LYS HB2 H 2.040 0.030 2 278 33 33 LYS HB3 H 1.648 0.030 2 279 33 33 LYS HD2 H 1.674 0.030 2 280 33 33 LYS HD3 H 1.633 0.030 2 281 33 33 LYS HE2 H 2.957 0.030 1 282 33 33 LYS HE3 H 2.957 0.030 1 283 33 33 LYS HG2 H 1.409 0.030 1 284 33 33 LYS HG3 H 1.409 0.030 1 285 33 33 LYS C C 176.337 0.300 1 286 33 33 LYS CA C 54.658 0.300 1 287 33 33 LYS CB C 35.666 0.300 1 288 33 33 LYS CD C 29.271 0.300 1 289 33 33 LYS CE C 42.114 0.300 1 290 33 33 LYS CG C 23.703 0.300 1 291 33 33 LYS N N 112.845 0.300 1 292 34 34 SER H H 7.317 0.030 1 293 34 34 SER HA H 5.527 0.030 1 294 34 34 SER HB2 H 3.852 0.030 2 295 34 34 SER HB3 H 3.441 0.030 2 296 34 34 SER C C 172.452 0.300 1 297 34 34 SER CA C 57.577 0.300 1 298 34 34 SER CB C 66.966 0.300 1 299 34 34 SER N N 111.545 0.300 1 300 35 35 ILE H H 8.373 0.030 1 301 35 35 ILE HA H 4.177 0.030 1 302 35 35 ILE HB H 1.046 0.030 1 303 35 35 ILE HD1 H 0.718 0.030 1 304 35 35 ILE HG12 H 1.387 0.030 2 305 35 35 ILE HG13 H 0.799 0.030 2 306 35 35 ILE HG2 H 0.198 0.030 1 307 35 35 ILE C C 172.846 0.300 1 308 35 35 ILE CA C 60.539 0.300 1 309 35 35 ILE CB C 43.526 0.300 1 310 35 35 ILE CD1 C 13.635 0.300 1 311 35 35 ILE CG1 C 29.186 0.300 1 312 35 35 ILE CG2 C 16.960 0.300 1 313 35 35 ILE N N 121.934 0.300 1 314 36 36 MET H H 9.158 0.030 1 315 36 36 MET HA H 4.875 0.030 1 316 36 36 MET HB2 H 2.131 0.030 2 317 36 36 MET HB3 H 1.552 0.030 2 318 36 36 MET HE H 1.884 0.030 1 319 36 36 MET HG2 H 2.263 0.030 2 320 36 36 MET HG3 H 1.671 0.030 2 321 36 36 MET C C 172.985 0.300 1 322 36 36 MET CA C 53.669 0.300 1 323 36 36 MET CB C 33.899 0.300 1 324 36 36 MET CE C 18.019 0.300 1 325 36 36 MET CG C 32.201 0.300 1 326 36 36 MET N N 127.839 0.300 1 327 37 37 ILE H H 8.507 0.030 1 328 37 37 ILE HA H 4.706 0.030 1 329 37 37 ILE HB H 1.717 0.030 1 330 37 37 ILE HD1 H 0.397 0.030 1 331 37 37 ILE HG12 H 0.896 0.030 2 332 37 37 ILE HG13 H 1.340 0.030 2 333 37 37 ILE HG2 H 0.853 0.030 1 334 37 37 ILE C C 173.835 0.300 1 335 37 37 ILE CA C 59.024 0.300 1 336 37 37 ILE CB C 39.867 0.300 1 337 37 37 ILE CD1 C 15.082 0.300 1 338 37 37 ILE CG1 C 27.306 0.300 1 339 37 37 ILE CG2 C 18.326 0.300 1 340 37 37 ILE N N 128.104 0.300 1 341 38 38 HIS H H 8.741 0.030 1 342 38 38 HIS HA H 4.924 0.030 1 343 38 38 HIS HB2 H 2.968 0.030 2 344 38 38 HIS HB3 H 2.892 0.030 2 345 38 38 HIS HD2 H 6.579 0.030 1 346 38 38 HIS HE1 H 7.734 0.030 1 347 38 38 HIS C C 174.009 0.300 1 348 38 38 HIS CA C 55.075 0.300 1 349 38 38 HIS CB C 33.851 0.300 1 350 38 38 HIS CD2 C 119.429 0.300 1 351 38 38 HIS CE1 C 137.633 0.300 1 352 38 38 HIS N N 122.561 0.300 1 353 39 39 TRP H H 7.947 0.030 1 354 39 39 TRP HA H 4.869 0.030 1 355 39 39 TRP HB2 H 3.329 0.030 2 356 39 39 TRP HB3 H 2.876 0.030 2 357 39 39 TRP HD1 H 6.211 0.030 1 358 39 39 TRP HE1 H 5.885 0.030 1 359 39 39 TRP HE3 H 6.820 0.030 1 360 39 39 TRP HH2 H 6.452 0.030 1 361 39 39 TRP HZ2 H 6.895 0.030 1 362 39 39 TRP HZ3 H 6.410 0.030 1 363 39 39 TRP C C 172.367 0.300 1 364 39 39 TRP CA C 57.623 0.300 1 365 39 39 TRP CB C 30.274 0.300 1 366 39 39 TRP CD1 C 125.044 0.300 1 367 39 39 TRP CE3 C 120.060 0.300 1 368 39 39 TRP CH2 C 122.466 0.300 1 369 39 39 TRP CZ2 C 114.460 0.300 1 370 39 39 TRP CZ3 C 120.072 0.300 1 371 39 39 TRP N N 117.222 0.300 1 372 39 39 TRP NE1 N 124.711 0.300 1 373 40 40 GLN H H 8.721 0.030 1 374 40 40 GLN HA H 4.809 0.030 1 375 40 40 GLN HB2 H 1.620 0.030 2 376 40 40 GLN HB3 H 2.212 0.030 2 377 40 40 GLN HE21 H 7.510 0.030 2 378 40 40 GLN HE22 H 6.838 0.030 2 379 40 40 GLN HG2 H 2.350 0.030 1 380 40 40 GLN HG3 H 2.350 0.030 1 381 40 40 GLN C C 173.327 0.300 1 382 40 40 GLN CA C 52.634 0.300 1 383 40 40 GLN CB C 30.061 0.300 1 384 40 40 GLN CG C 33.864 0.300 1 385 40 40 GLN N N 115.498 0.300 1 386 40 40 GLN NE2 N 112.834 0.300 1 387 41 41 PRO HA H 5.117 0.030 1 388 41 41 PRO HB2 H 2.485 0.030 2 389 41 41 PRO HB3 H 1.847 0.030 2 390 41 41 PRO HD2 H 3.593 0.030 2 391 41 41 PRO HD3 H 3.774 0.030 2 392 41 41 PRO HG2 H 2.147 0.030 2 393 41 41 PRO HG3 H 2.106 0.030 2 394 41 41 PRO CA C 62.149 0.300 1 395 41 41 PRO CB C 30.169 0.300 1 396 41 41 PRO CD C 50.705 0.300 1 397 41 41 PRO CG C 27.952 0.300 1 398 42 42 PRO HA H 4.488 0.030 1 399 42 42 PRO HB2 H 2.135 0.030 2 400 42 42 PRO HB3 H 1.644 0.030 2 401 42 42 PRO HD2 H 3.911 0.030 2 402 42 42 PRO HD3 H 3.605 0.030 2 403 42 42 PRO HG2 H 1.652 0.030 2 404 42 42 PRO HG3 H 1.830 0.030 2 405 42 42 PRO C C 175.212 0.300 1 406 42 42 PRO CA C 62.124 0.300 1 407 42 42 PRO CB C 32.130 0.300 1 408 42 42 PRO CD C 50.647 0.300 1 409 42 42 PRO CG C 28.216 0.300 1 410 43 43 ALA H H 8.797 0.030 1 411 43 43 ALA HA H 4.393 0.030 1 412 43 43 ALA HB H 1.393 0.030 1 413 43 43 ALA C C 177.454 0.300 1 414 43 43 ALA CA C 51.178 0.300 1 415 43 43 ALA CB C 17.151 0.300 1 416 43 43 ALA N N 125.256 0.300 1 417 44 44 PRO HA H 4.146 0.030 1 418 44 44 PRO HB2 H 2.361 0.030 2 419 44 44 PRO HB3 H 1.968 0.030 2 420 44 44 PRO HD2 H 3.742 0.030 2 421 44 44 PRO HD3 H 3.945 0.030 2 422 44 44 PRO HG2 H 2.153 0.030 2 423 44 44 PRO HG3 H 2.034 0.030 2 424 44 44 PRO C C 177.964 0.300 1 425 44 44 PRO CA C 65.939 0.300 1 426 44 44 PRO CB C 32.124 0.300 1 427 44 44 PRO CD C 50.740 0.300 1 428 44 44 PRO CG C 27.520 0.300 1 429 45 45 ALA H H 8.586 0.030 1 430 45 45 ALA HA H 4.273 0.030 1 431 45 45 ALA HB H 1.434 0.030 1 432 45 45 ALA C C 178.149 0.300 1 433 45 45 ALA CA C 53.988 0.300 1 434 45 45 ALA CB C 18.781 0.300 1 435 45 45 ALA N N 119.217 0.300 1 436 46 46 THR H H 8.147 0.030 1 437 46 46 THR HB H 4.310 0.030 1 438 46 46 THR HG2 H 1.078 0.030 1 439 46 46 THR C C 174.747 0.300 1 440 46 46 THR CA C 61.791 0.300 1 441 46 46 THR CB C 69.981 0.300 1 442 46 46 THR CG2 C 21.763 0.300 1 443 46 46 THR N N 107.692 0.300 1 444 47 47 GLN H H 7.498 0.030 1 445 47 47 GLN HA H 3.953 0.030 1 446 47 47 GLN HB2 H 2.017 0.030 2 447 47 47 GLN HB3 H 2.260 0.030 2 448 47 47 GLN HE21 H 7.539 0.030 2 449 47 47 GLN HE22 H 7.102 0.030 2 450 47 47 GLN HG2 H 2.497 0.030 2 451 47 47 GLN HG3 H 2.096 0.030 2 452 47 47 GLN C C 176.046 0.300 1 453 47 47 GLN CA C 57.914 0.300 1 454 47 47 GLN CB C 28.609 0.300 1 455 47 47 GLN CG C 34.603 0.300 1 456 47 47 GLN N N 120.702 0.300 1 457 47 47 GLN NE2 N 111.022 0.300 1 458 48 48 ASN H H 8.322 0.030 1 459 48 48 ASN HA H 4.451 0.030 1 460 48 48 ASN HB2 H 2.803 0.030 2 461 48 48 ASN HB3 H 2.664 0.030 2 462 48 48 ASN HD21 H 7.608 0.030 2 463 48 48 ASN HD22 H 6.810 0.030 2 464 48 48 ASN C C 174.333 0.300 1 465 48 48 ASN CA C 53.519 0.300 1 466 48 48 ASN CB C 37.468 0.300 1 467 48 48 ASN N N 113.441 0.300 1 468 48 48 ASN ND2 N 113.155 0.300 1 469 49 49 GLY H H 7.740 0.030 1 470 49 49 GLY HA2 H 4.115 0.030 2 471 49 49 GLY HA3 H 3.827 0.030 2 472 49 49 GLY C C 172.395 0.300 1 473 49 49 GLY CA C 44.153 0.300 1 474 49 49 GLY N N 106.673 0.300 1 475 50 50 GLN H H 8.084 0.030 1 476 50 50 GLN HA H 4.224 0.030 1 477 50 50 GLN HB2 H 1.984 0.030 2 478 50 50 GLN HB3 H 1.914 0.030 2 479 50 50 GLN HE21 H 7.574 0.030 2 480 50 50 GLN HE22 H 6.882 0.030 2 481 50 50 GLN HG2 H 2.306 0.030 2 482 50 50 GLN HG3 H 2.229 0.030 2 483 50 50 GLN C C 176.216 0.300 1 484 50 50 GLN CA C 55.625 0.300 1 485 50 50 GLN CB C 29.354 0.300 1 486 50 50 GLN CG C 33.488 0.300 1 487 50 50 GLN N N 118.780 0.300 1 488 50 50 GLN NE2 N 112.602 0.300 1 489 51 51 ILE H H 8.700 0.030 1 490 51 51 ILE HA H 4.358 0.030 1 491 51 51 ILE HB H 1.929 0.030 1 492 51 51 ILE HD1 H 0.770 0.030 1 493 51 51 ILE HG12 H 1.517 0.030 2 494 51 51 ILE HG13 H 1.219 0.030 2 495 51 51 ILE HG2 H 0.819 0.030 1 496 51 51 ILE C C 177.564 0.300 1 497 51 51 ILE CA C 60.905 0.300 1 498 51 51 ILE CB C 36.668 0.300 1 499 51 51 ILE CD1 C 12.129 0.300 1 500 51 51 ILE CG1 C 27.995 0.300 1 501 51 51 ILE CG2 C 17.685 0.300 1 502 51 51 ILE N N 126.825 0.300 1 503 52 52 THR H H 9.020 0.030 1 504 52 52 THR HA H 4.389 0.030 1 505 52 52 THR HB H 4.268 0.030 1 506 52 52 THR HG2 H 1.078 0.030 1 507 52 52 THR C C 175.534 0.300 1 508 52 52 THR CA C 61.269 0.300 1 509 52 52 THR CB C 68.682 0.300 1 510 52 52 THR CG2 C 22.613 0.300 1 511 52 52 THR N N 119.708 0.300 1 512 53 53 GLY H H 7.488 0.030 1 513 53 53 GLY HA2 H 4.378 0.030 2 514 53 53 GLY HA3 H 3.938 0.030 2 515 53 53 GLY C C 169.387 0.300 1 516 53 53 GLY CA C 45.412 0.300 1 517 53 53 GLY N N 110.513 0.300 1 518 54 54 TYR H H 8.402 0.030 1 519 54 54 TYR HA H 5.071 0.030 1 520 54 54 TYR HB2 H 2.444 0.030 2 521 54 54 TYR HB3 H 2.151 0.030 2 522 54 54 TYR C C 173.761 0.300 1 523 54 54 TYR CA C 57.579 0.300 1 524 54 54 TYR CB C 41.972 0.300 1 525 54 54 TYR N N 114.023 0.300 1 526 55 55 LYS H H 9.012 0.030 1 527 55 55 LYS HA H 4.950 0.030 1 528 55 55 LYS HB2 H 1.473 0.030 2 529 55 55 LYS HB3 H 1.387 0.030 2 530 55 55 LYS HD2 H 1.605 0.030 2 531 55 55 LYS HD3 H 1.456 0.030 2 532 55 55 LYS HE2 H 2.769 0.030 2 533 55 55 LYS HE3 H 2.728 0.030 2 534 55 55 LYS HG2 H 1.199 0.030 2 535 55 55 LYS HG3 H 1.134 0.030 2 536 55 55 LYS C C 174.865 0.300 1 537 55 55 LYS CA C 54.488 0.300 1 538 55 55 LYS CB C 35.434 0.300 1 539 55 55 LYS CD C 29.373 0.300 1 540 55 55 LYS CE C 41.831 0.300 1 541 55 55 LYS CG C 25.565 0.300 1 542 55 55 LYS N N 121.022 0.300 1 543 56 56 ILE H H 9.194 0.030 1 544 56 56 ILE HA H 4.542 0.030 1 545 56 56 ILE HB H 1.875 0.030 1 546 56 56 ILE HD1 H 0.754 0.030 1 547 56 56 ILE HG12 H 1.281 0.030 2 548 56 56 ILE HG13 H 0.592 0.030 2 549 56 56 ILE HG2 H 0.997 0.030 1 550 56 56 ILE C C 175.034 0.300 1 551 56 56 ILE CA C 60.342 0.300 1 552 56 56 ILE CB C 39.850 0.300 1 553 56 56 ILE CD1 C 15.611 0.300 1 554 56 56 ILE CG1 C 27.880 0.300 1 555 56 56 ILE CG2 C 17.964 0.300 1 556 56 56 ILE N N 128.438 0.300 1 557 57 57 ARG H H 8.824 0.030 1 558 57 57 ARG HA H 5.652 0.030 1 559 57 57 ARG HB2 H 1.676 0.030 2 560 57 57 ARG HB3 H 1.314 0.030 2 561 57 57 ARG HD2 H 3.028 0.030 2 562 57 57 ARG HD3 H 2.924 0.030 2 563 57 57 ARG HG2 H 1.525 0.030 1 564 57 57 ARG HG3 H 1.525 0.030 1 565 57 57 ARG C C 174.990 0.300 1 566 57 57 ARG CA C 54.130 0.300 1 567 57 57 ARG CB C 34.071 0.300 1 568 57 57 ARG CD C 43.936 0.300 1 569 57 57 ARG CG C 28.703 0.300 1 570 57 57 ARG N N 125.988 0.300 1 571 58 58 TYR H H 9.096 0.030 1 572 58 58 TYR HA H 6.049 0.030 1 573 58 58 TYR HB2 H 2.871 0.030 2 574 58 58 TYR HB3 H 2.163 0.030 2 575 58 58 TYR HD1 H 6.646 0.030 1 576 58 58 TYR HD2 H 6.646 0.030 1 577 58 58 TYR HE1 H 6.587 0.030 1 578 58 58 TYR HE2 H 6.587 0.030 1 579 58 58 TYR C C 172.945 0.300 1 580 58 58 TYR CA C 55.599 0.300 1 581 58 58 TYR CB C 42.795 0.300 1 582 58 58 TYR CD1 C 133.127 0.300 1 583 58 58 TYR CD2 C 133.127 0.300 1 584 58 58 TYR CE1 C 117.977 0.300 1 585 58 58 TYR CE2 C 117.977 0.300 1 586 58 58 TYR N N 116.722 0.300 1 587 59 59 ARG H H 8.566 0.030 1 588 59 59 ARG HA H 4.984 0.030 1 589 59 59 ARG HB2 H 1.718 0.030 2 590 59 59 ARG HB3 H 1.501 0.030 2 591 59 59 ARG HD2 H 2.785 0.030 2 592 59 59 ARG HD3 H 2.163 0.030 2 593 59 59 ARG HE H 6.877 0.030 1 594 59 59 ARG HG2 H 0.772 0.030 2 595 59 59 ARG HG3 H 1.083 0.030 2 596 59 59 ARG C C 174.197 0.300 1 597 59 59 ARG CA C 53.257 0.300 1 598 59 59 ARG CB C 33.107 0.300 1 599 59 59 ARG CD C 43.328 0.300 1 600 59 59 ARG CG C 24.812 0.300 1 601 59 59 ARG N N 114.455 0.300 1 602 59 59 ARG NE N 84.230 0.300 1 603 60 60 LYS H H 9.319 0.030 1 604 60 60 LYS HA H 3.845 0.030 1 605 60 60 LYS HB2 H 1.596 0.030 2 606 60 60 LYS HB3 H 1.444 0.030 2 607 60 60 LYS HD2 H 1.505 0.030 1 608 60 60 LYS HD3 H 1.505 0.030 1 609 60 60 LYS HE2 H 3.005 0.030 2 610 60 60 LYS HE3 H 2.907 0.030 2 611 60 60 LYS HG2 H 1.297 0.030 2 612 60 60 LYS HG3 H 0.787 0.030 2 613 60 60 LYS C C 177.650 0.300 1 614 60 60 LYS CA C 56.972 0.300 1 615 60 60 LYS CB C 33.155 0.300 1 616 60 60 LYS CD C 30.035 0.300 1 617 60 60 LYS CE C 42.085 0.300 1 618 60 60 LYS CG C 26.520 0.300 1 619 60 60 LYS N N 123.745 0.300 1 620 61 61 ALA H H 8.084 0.030 1 621 61 61 ALA HA H 3.637 0.030 1 622 61 61 ALA HB H 1.102 0.030 1 623 61 61 ALA C C 178.185 0.300 1 624 61 61 ALA CA C 54.608 0.300 1 625 61 61 ALA CB C 18.421 0.300 1 626 61 61 ALA N N 127.577 0.300 1 627 62 62 SER H H 8.066 0.030 1 628 62 62 SER HA H 4.204 0.030 1 629 62 62 SER HB2 H 3.975 0.030 2 630 62 62 SER HB3 H 3.738 0.030 2 631 62 62 SER C C 174.559 0.300 1 632 62 62 SER CA C 58.301 0.300 1 633 62 62 SER CB C 63.313 0.300 1 634 62 62 SER N N 108.382 0.300 1 635 63 63 ARG H H 7.498 0.030 1 636 63 63 ARG HA H 4.564 0.030 1 637 63 63 ARG HB2 H 1.835 0.030 2 638 63 63 ARG HB3 H 1.575 0.030 2 639 63 63 ARG HD2 H 3.175 0.030 2 640 63 63 ARG HG2 H 1.547 0.030 1 641 63 63 ARG HG3 H 1.547 0.030 1 642 63 63 ARG C C 176.179 0.300 1 643 63 63 ARG CA C 54.578 0.300 1 644 63 63 ARG CB C 30.604 0.300 1 645 63 63 ARG CD C 43.315 0.300 1 646 63 63 ARG CG C 27.093 0.300 1 647 63 63 ARG N N 125.265 0.300 1 648 64 64 LYS H H 8.557 0.030 1 649 64 64 LYS HA H 3.542 0.030 1 650 64 64 LYS HB2 H 1.544 0.030 1 651 64 64 LYS HB3 H 1.544 0.030 1 652 64 64 LYS HD2 H 1.447 0.030 2 653 64 64 LYS HD3 H 1.363 0.030 2 654 64 64 LYS HE2 H 2.886 0.030 2 655 64 64 LYS HE3 H 2.853 0.030 2 656 64 64 LYS HG2 H 0.840 0.030 2 657 64 64 LYS HG3 H 1.601 0.030 2 658 64 64 LYS C C 176.586 0.300 1 659 64 64 LYS CA C 59.663 0.300 1 660 64 64 LYS CB C 32.894 0.300 1 661 64 64 LYS CD C 29.465 0.300 1 662 64 64 LYS CE C 42.242 0.300 1 663 64 64 LYS CG C 26.864 0.300 1 664 64 64 LYS N N 122.134 0.300 1 665 65 65 SER H H 8.048 0.030 1 666 65 65 SER HA H 4.205 0.030 1 667 65 65 SER HB2 H 3.929 0.030 2 668 65 65 SER HB3 H 3.793 0.030 2 669 65 65 SER C C 174.158 0.300 1 670 65 65 SER CA C 59.217 0.300 1 671 65 65 SER CB C 63.385 0.300 1 672 65 65 SER N N 110.377 0.300 1 673 66 66 ASP H H 7.302 0.030 1 674 66 66 ASP HA H 4.892 0.030 1 675 66 66 ASP HB2 H 2.759 0.030 2 676 66 66 ASP HB3 H 2.545 0.030 2 677 66 66 ASP C C 174.576 0.300 1 678 66 66 ASP CA C 53.249 0.300 1 679 66 66 ASP CB C 40.606 0.300 1 680 66 66 ASP N N 122.784 0.300 1 681 67 67 VAL H H 8.281 0.030 1 682 67 67 VAL HA H 4.408 0.030 1 683 67 67 VAL HB H 1.948 0.030 1 684 67 67 VAL HG1 H 0.941 0.030 1 685 67 67 VAL HG2 H 0.917 0.030 1 686 67 67 VAL C C 175.937 0.300 1 687 67 67 VAL CA C 61.346 0.300 1 688 67 67 VAL CB C 34.035 0.300 1 689 67 67 VAL CG1 C 22.141 0.300 2 690 67 67 VAL CG2 C 21.928 0.300 2 691 67 67 VAL N N 125.861 0.300 1 692 68 68 THR H H 8.941 0.030 1 693 68 68 THR HA H 4.248 0.030 1 694 68 68 THR HB H 2.428 0.030 1 695 68 68 THR HG2 H 1.018 0.030 1 696 68 68 THR C C 171.606 0.300 1 697 68 68 THR CA C 62.358 0.300 1 698 68 68 THR CB C 69.898 0.300 1 699 68 68 THR CG2 C 21.850 0.300 1 700 68 68 THR N N 126.490 0.300 1 701 69 69 GLU H H 8.588 0.030 1 702 69 69 GLU HA H 5.651 0.030 1 703 69 69 GLU HB2 H 1.840 0.030 2 704 69 69 GLU HB3 H 1.866 0.030 2 705 69 69 GLU HG2 H 2.093 0.030 2 706 69 69 GLU HG3 H 1.937 0.030 2 707 69 69 GLU C C 175.423 0.300 1 708 69 69 GLU CA C 54.112 0.300 1 709 69 69 GLU CB C 33.899 0.300 1 710 69 69 GLU CG C 37.752 0.300 1 711 69 69 GLU N N 124.950 0.300 1 712 70 70 THR H H 9.295 0.030 1 713 70 70 THR HA H 4.670 0.030 1 714 70 70 THR HB H 3.955 0.030 1 715 70 70 THR HG2 H 1.191 0.030 1 716 70 70 THR C C 171.492 0.300 1 717 70 70 THR CA C 61.398 0.300 1 718 70 70 THR CB C 71.643 0.300 1 719 70 70 THR CG2 C 20.959 0.300 1 720 70 70 THR N N 121.586 0.300 1 721 71 71 LEU H H 8.508 0.030 1 722 71 71 LEU HA H 5.217 0.030 1 723 71 71 LEU HB2 H 1.666 0.030 2 724 71 71 LEU HB3 H 1.564 0.030 2 725 71 71 LEU HD1 H 0.845 0.030 1 726 71 71 LEU HG H 1.538 0.030 1 727 71 71 LEU C C 176.626 0.300 1 728 71 71 LEU CA C 54.235 0.300 1 729 71 71 LEU CB C 44.093 0.300 1 730 71 71 LEU CD1 C 24.751 0.300 2 731 71 71 LEU CD2 C 24.983 0.300 2 732 71 71 LEU CG C 27.750 0.300 1 733 71 71 LEU N N 128.294 0.300 1 734 72 72 VAL H H 9.076 0.030 1 735 72 72 VAL HA H 4.795 0.030 1 736 72 72 VAL HB H 2.382 0.030 1 737 72 72 VAL HG1 H 1.095 0.030 1 738 72 72 VAL HG2 H 1.194 0.030 1 739 72 72 VAL C C 175.926 0.300 1 740 72 72 VAL CA C 59.424 0.300 1 741 72 72 VAL CB C 35.157 0.300 1 742 72 72 VAL CG1 C 22.076 0.300 2 743 72 72 VAL CG2 C 20.616 0.300 2 744 72 72 VAL N N 119.545 0.300 1 745 73 73 SER H H 8.562 0.030 1 746 73 73 SER HA H 4.599 0.030 1 747 73 73 SER HB2 H 4.206 0.030 2 748 73 73 SER HB3 H 4.032 0.030 2 749 73 73 SER C C 174.742 0.300 1 750 73 73 SER CA C 59.005 0.300 1 751 73 73 SER CB C 64.049 0.300 1 752 73 73 SER N N 118.025 0.300 1 753 74 74 GLY H H 8.032 0.030 1 754 74 74 GLY HA2 H 3.874 0.030 2 755 74 74 GLY HA3 H 3.685 0.030 2 756 74 74 GLY C C 173.597 0.300 1 757 74 74 GLY CA C 46.338 0.300 1 758 74 74 GLY N N 108.204 0.300 1 759 75 75 THR H H 7.758 0.030 1 760 75 75 THR HA H 4.459 0.030 1 761 75 75 THR HB H 4.533 0.030 1 762 75 75 THR HG2 H 1.220 0.030 1 763 75 75 THR C C 174.237 0.300 1 764 75 75 THR CA C 60.959 0.300 1 765 75 75 THR CB C 68.923 0.300 1 766 75 75 THR CG2 C 21.856 0.300 1 767 75 75 THR N N 107.566 0.300 1 768 76 76 GLN H H 7.724 0.030 1 769 76 76 GLN HA H 4.326 0.030 1 770 76 76 GLN HB2 H 2.243 0.030 1 771 76 76 GLN HB3 H 2.243 0.030 1 772 76 76 GLN HE21 H 7.968 0.030 2 773 76 76 GLN HE22 H 7.055 0.030 2 774 76 76 GLN HG2 H 2.473 0.030 2 775 76 76 GLN HG3 H 2.568 0.030 2 776 76 76 GLN C C 172.832 0.300 1 777 76 76 GLN CA C 55.793 0.300 1 778 76 76 GLN CB C 31.057 0.300 1 779 76 76 GLN CG C 34.364 0.300 1 780 76 76 GLN N N 124.610 0.300 1 781 76 76 GLN NE2 N 113.493 0.300 1 782 77 77 LEU H H 7.522 0.030 1 783 77 77 LEU HA H 3.268 0.030 1 784 77 77 LEU HB2 H 1.732 0.030 2 785 77 77 LEU HB3 H 0.953 0.030 2 786 77 77 LEU HD1 H 0.856 0.030 1 787 77 77 LEU HD2 H 0.575 0.030 1 788 77 77 LEU HG H 1.285 0.030 1 789 77 77 LEU C C 174.102 0.300 1 790 77 77 LEU CA C 52.617 0.300 1 791 77 77 LEU CB C 41.326 0.300 1 792 77 77 LEU CD1 C 26.103 0.300 2 793 77 77 LEU CD2 C 22.530 0.300 2 794 77 77 LEU CG C 26.725 0.300 1 795 77 77 LEU N N 119.139 0.300 1 796 78 78 SER H H 6.724 0.030 1 797 78 78 SER HA H 4.647 0.030 1 798 78 78 SER HB2 H 3.561 0.030 2 799 78 78 SER HB3 H 3.347 0.030 2 800 78 78 SER C C 173.829 0.300 1 801 78 78 SER CA C 56.242 0.300 1 802 78 78 SER CB C 66.255 0.300 1 803 78 78 SER N N 109.274 0.300 1 804 79 79 GLN H H 8.603 0.030 1 805 79 79 GLN HA H 4.384 0.030 1 806 79 79 GLN HB2 H 1.587 0.030 2 807 79 79 GLN HB3 H 2.385 0.030 2 808 79 79 GLN HE21 H 7.588 0.030 2 809 79 79 GLN HE22 H 6.899 0.030 2 810 79 79 GLN HG2 H 1.987 0.030 2 811 79 79 GLN HG3 H 2.064 0.030 2 812 79 79 GLN C C 172.921 0.300 1 813 79 79 GLN CA C 55.476 0.300 1 814 79 79 GLN CB C 32.250 0.300 1 815 79 79 GLN CG C 33.217 0.300 1 816 79 79 GLN N N 119.055 0.300 1 817 79 79 GLN NE2 N 112.593 0.300 1 818 80 80 LEU H H 8.657 0.030 1 819 80 80 LEU HA H 4.565 0.030 1 820 80 80 LEU HB2 H 1.856 0.030 2 821 80 80 LEU HB3 H 1.264 0.030 2 822 80 80 LEU HD1 H 0.654 0.030 1 823 80 80 LEU HD2 H 0.799 0.030 1 824 80 80 LEU HG H 1.144 0.030 1 825 80 80 LEU C C 175.478 0.300 1 826 80 80 LEU CA C 54.746 0.300 1 827 80 80 LEU CB C 42.556 0.300 1 828 80 80 LEU CD1 C 22.814 0.300 2 829 80 80 LEU CD2 C 25.904 0.300 2 830 80 80 LEU CG C 27.327 0.300 1 831 80 80 LEU N N 130.514 0.300 1 832 81 81 ILE H H 9.032 0.030 1 833 81 81 ILE HA H 4.308 0.030 1 834 81 81 ILE HB H 1.917 0.030 1 835 81 81 ILE HD1 H 0.656 0.030 1 836 81 81 ILE HG12 H 1.431 0.030 2 837 81 81 ILE HG13 H 1.078 0.030 2 838 81 81 ILE HG2 H 0.429 0.030 1 839 81 81 ILE C C 174.468 0.300 1 840 81 81 ILE CA C 59.040 0.300 1 841 81 81 ILE CB C 35.711 0.300 1 842 81 81 ILE CD1 C 10.183 0.300 1 843 81 81 ILE CG1 C 26.533 0.300 1 844 81 81 ILE CG2 C 17.161 0.300 1 845 81 81 ILE N N 132.238 0.300 1 846 82 82 GLU H H 8.326 0.030 1 847 82 82 GLU HA H 4.917 0.030 1 848 82 82 GLU HB2 H 1.893 0.030 2 849 82 82 GLU HB3 H 2.100 0.030 2 850 82 82 GLU HG2 H 2.037 0.030 2 851 82 82 GLU HG3 H 1.967 0.030 2 852 82 82 GLU C C 175.536 0.300 1 853 82 82 GLU CA C 54.253 0.300 1 854 82 82 GLU CB C 32.992 0.300 1 855 82 82 GLU CG C 38.051 0.300 1 856 82 82 GLU N N 124.707 0.300 1 857 83 83 GLY H H 8.340 0.030 1 858 83 83 GLY HA2 H 3.970 0.030 2 859 83 83 GLY HA3 H 3.805 0.030 2 860 83 83 GLY C C 175.269 0.300 1 861 83 83 GLY CA C 46.193 0.300 1 862 83 83 GLY N N 106.484 0.300 1 863 84 84 LEU H H 8.322 0.030 1 864 84 84 LEU HA H 4.242 0.030 1 865 84 84 LEU HB2 H 1.313 0.030 2 866 84 84 LEU HB3 H 1.093 0.030 2 867 84 84 LEU HD1 H 0.094 0.030 1 868 84 84 LEU HD2 H 0.012 0.030 1 869 84 84 LEU HG H 1.083 0.030 1 870 84 84 LEU C C 175.779 0.300 1 871 84 84 LEU CA C 53.701 0.300 1 872 84 84 LEU CB C 41.008 0.300 1 873 84 84 LEU CD1 C 25.181 0.300 2 874 84 84 LEU CD2 C 19.587 0.300 2 875 84 84 LEU CG C 25.978 0.300 1 876 84 84 LEU N N 120.007 0.300 1 877 85 85 ASP H H 8.476 0.030 1 878 85 85 ASP HA H 4.779 0.030 1 879 85 85 ASP HB2 H 2.746 0.030 2 880 85 85 ASP HB3 H 2.613 0.030 2 881 85 85 ASP C C 176.313 0.300 1 882 85 85 ASP CA C 53.916 0.300 1 883 85 85 ASP CB C 42.256 0.300 1 884 85 85 ASP N N 119.741 0.300 1 885 86 86 ARG H H 8.244 0.030 1 886 86 86 ARG HA H 5.178 0.030 1 887 86 86 ARG HB2 H 2.045 0.030 2 888 86 86 ARG HB3 H 1.872 0.030 2 889 86 86 ARG HD2 H 3.307 0.030 2 890 86 86 ARG HD3 H 3.260 0.030 2 891 86 86 ARG HG2 H 1.691 0.030 2 892 86 86 ARG HG3 H 1.629 0.030 2 893 86 86 ARG C C 178.947 0.300 1 894 86 86 ARG CA C 55.867 0.300 1 895 86 86 ARG CB C 31.076 0.300 1 896 86 86 ARG CD C 43.755 0.300 1 897 86 86 ARG CG C 26.643 0.300 1 898 86 86 ARG N N 120.089 0.300 1 899 87 87 GLY H H 7.704 0.030 1 900 87 87 GLY HA2 H 3.886 0.030 2 901 87 87 GLY HA3 H 3.739 0.030 2 902 87 87 GLY C C 174.668 0.300 1 903 87 87 GLY CA C 47.782 0.300 1 904 87 87 GLY N N 116.206 0.300 1 905 88 88 THR H H 8.247 0.030 1 906 88 88 THR HA H 4.477 0.030 1 907 88 88 THR HB H 3.854 0.030 1 908 88 88 THR HG2 H 0.715 0.030 1 909 88 88 THR C C 171.759 0.300 1 910 88 88 THR CA C 62.991 0.300 1 911 88 88 THR CB C 72.377 0.300 1 912 88 88 THR CG2 C 20.988 0.300 1 913 88 88 THR N N 114.518 0.300 1 914 89 89 GLU H H 8.570 0.030 1 915 89 89 GLU HA H 4.655 0.030 1 916 89 89 GLU HB2 H 1.883 0.030 1 917 89 89 GLU HB3 H 1.883 0.030 1 918 89 89 GLU HG2 H 2.189 0.030 2 919 89 89 GLU HG3 H 1.830 0.030 2 920 89 89 GLU C C 175.052 0.300 1 921 89 89 GLU CA C 56.151 0.300 1 922 89 89 GLU CB C 30.293 0.300 1 923 89 89 GLU CG C 36.457 0.300 1 924 89 89 GLU N N 126.468 0.300 1 925 90 90 TYR H H 9.464 0.030 1 926 90 90 TYR HA H 5.007 0.030 1 927 90 90 TYR HB2 H 2.684 0.030 2 928 90 90 TYR HB3 H 2.463 0.030 2 929 90 90 TYR HD1 H 7.240 0.030 1 930 90 90 TYR HD2 H 7.240 0.030 1 931 90 90 TYR HE1 H 6.863 0.030 1 932 90 90 TYR HE2 H 6.863 0.030 1 933 90 90 TYR C C 174.588 0.300 1 934 90 90 TYR CA C 57.541 0.300 1 935 90 90 TYR CB C 45.043 0.300 1 936 90 90 TYR CE1 C 118.789 0.300 1 937 90 90 TYR CE2 C 118.789 0.300 1 938 90 90 TYR N N 128.931 0.300 1 939 91 91 ASN H H 9.148 0.030 1 940 91 91 ASN HA H 5.759 0.030 1 941 91 91 ASN HB2 H 2.703 0.030 2 942 91 91 ASN HB3 H 2.045 0.030 2 943 91 91 ASN HD21 H 6.864 0.030 1 944 91 91 ASN HD22 H 6.864 0.030 1 945 91 91 ASN C C 173.593 0.300 1 946 91 91 ASN CA C 50.522 0.300 1 947 91 91 ASN CB C 43.383 0.300 1 948 91 91 ASN N N 116.377 0.300 1 949 91 91 ASN ND2 N 108.252 0.300 1 950 92 92 PHE H H 9.771 0.030 1 951 92 92 PHE HA H 5.866 0.030 1 952 92 92 PHE HB2 H 2.968 0.030 2 953 92 92 PHE HB3 H 2.849 0.030 2 954 92 92 PHE HD1 H 7.124 0.030 1 955 92 92 PHE HD2 H 7.124 0.030 1 956 92 92 PHE HE1 H 6.768 0.030 1 957 92 92 PHE HE2 H 6.768 0.030 1 958 92 92 PHE HZ H 6.502 0.030 1 959 92 92 PHE C C 174.986 0.300 1 960 92 92 PHE CA C 57.438 0.300 1 961 92 92 PHE CB C 45.226 0.300 1 962 92 92 PHE CD1 C 133.000 0.300 1 963 92 92 PHE CD2 C 133.000 0.300 1 964 92 92 PHE CE1 C 130.646 0.300 1 965 92 92 PHE CE2 C 130.646 0.300 1 966 92 92 PHE CZ C 128.284 0.300 1 967 92 92 PHE N N 119.289 0.300 1 968 93 93 ARG H H 9.227 0.030 1 969 93 93 ARG HA H 4.421 0.030 1 970 93 93 ARG HB2 H 1.431 0.030 2 971 93 93 ARG HB3 H 0.783 0.030 2 972 93 93 ARG HD2 H 1.837 0.030 2 973 93 93 ARG HD3 H 0.420 0.030 2 974 93 93 ARG HG2 H 0.778 0.030 2 975 93 93 ARG HG3 H 0.689 0.030 2 976 93 93 ARG C C 172.984 0.300 1 977 93 93 ARG CA C 55.274 0.300 1 978 93 93 ARG CB C 32.580 0.300 1 979 93 93 ARG CD C 41.909 0.300 1 980 93 93 ARG CG C 23.041 0.300 1 981 93 93 ARG N N 116.074 0.300 1 982 94 94 VAL H H 7.591 0.030 1 983 94 94 VAL HA H 5.157 0.030 1 984 94 94 VAL HB H 1.188 0.030 1 985 94 94 VAL HG1 H -0.017 0.030 1 986 94 94 VAL HG2 H 0.254 0.030 1 987 94 94 VAL C C 172.951 0.300 1 988 94 94 VAL CA C 60.201 0.300 1 989 94 94 VAL CB C 35.973 0.300 1 990 94 94 VAL CG1 C 20.539 0.300 2 991 94 94 VAL CG2 C 22.402 0.300 2 992 94 94 VAL N N 117.509 0.300 1 993 95 95 ALA H H 8.439 0.030 1 994 95 95 ALA HA H 4.644 0.030 1 995 95 95 ALA HB H 1.125 0.030 1 996 95 95 ALA C C 175.066 0.300 1 997 95 95 ALA CA C 51.086 0.300 1 998 95 95 ALA CB C 23.810 0.300 1 999 95 95 ALA N N 127.640 0.300 1 1000 96 96 ALA H H 8.756 0.030 1 1001 96 96 ALA HA H 4.649 0.030 1 1002 96 96 ALA HB H 1.345 0.030 1 1003 96 96 ALA C C 174.808 0.300 1 1004 96 96 ALA CA C 51.198 0.300 1 1005 96 96 ALA CB C 21.257 0.300 1 1006 96 96 ALA N N 123.203 0.300 1 1007 97 97 LEU H H 8.183 0.030 1 1008 97 97 LEU HA H 5.013 0.030 1 1009 97 97 LEU HB2 H 1.461 0.030 2 1010 97 97 LEU HB3 H 1.146 0.030 2 1011 97 97 LEU HD1 H 0.606 0.030 1 1012 97 97 LEU HD2 H 0.649 0.030 1 1013 97 97 LEU HG H 1.357 0.030 1 1014 97 97 LEU C C 176.502 0.300 1 1015 97 97 LEU CA C 54.409 0.300 1 1016 97 97 LEU CB C 44.299 0.300 1 1017 97 97 LEU CD1 C 25.792 0.300 2 1018 97 97 LEU CD2 C 26.496 0.300 2 1019 97 97 LEU CG C 27.423 0.300 1 1020 97 97 LEU N N 119.527 0.300 1 1021 98 98 THR H H 8.264 0.030 1 1022 98 98 THR HA H 5.048 0.030 1 1023 98 98 THR HB H 4.611 0.030 1 1024 98 98 THR HG2 H 1.015 0.030 1 1025 98 98 THR C C 176.884 0.300 1 1026 98 98 THR CA C 59.767 0.300 1 1027 98 98 THR CB C 73.319 0.300 1 1028 98 98 THR CG2 C 21.481 0.300 1 1029 98 98 THR N N 109.360 0.300 1 1030 99 99 ILE H H 8.995 0.030 1 1031 99 99 ILE HA H 4.089 0.030 1 1032 99 99 ILE HB H 1.904 0.030 1 1033 99 99 ILE HD1 H 0.904 0.030 1 1034 99 99 ILE HG12 H 1.446 0.030 2 1035 99 99 ILE HG13 H 1.305 0.030 2 1036 99 99 ILE HG2 H 0.954 0.030 1 1037 99 99 ILE C C 175.992 0.300 1 1038 99 99 ILE CA C 63.116 0.300 1 1039 99 99 ILE CB C 38.471 0.300 1 1040 99 99 ILE CD1 C 14.012 0.300 1 1041 99 99 ILE CG1 C 27.767 0.300 1 1042 99 99 ILE CG2 C 17.508 0.300 1 1043 99 99 ILE N N 118.230 0.300 1 1044 100 100 ASN H H 7.808 0.030 1 1045 100 100 ASN HA H 4.752 0.030 1 1046 100 100 ASN HB2 H 2.774 0.030 2 1047 100 100 ASN HB3 H 2.327 0.030 2 1048 100 100 ASN HD21 H 7.636 0.030 2 1049 100 100 ASN HD22 H 6.996 0.030 2 1050 100 100 ASN C C 174.609 0.300 1 1051 100 100 ASN CA C 53.743 0.300 1 1052 100 100 ASN CB C 39.983 0.300 1 1053 100 100 ASN N N 115.557 0.300 1 1054 100 100 ASN ND2 N 114.829 0.300 1 1055 101 101 GLY H H 7.543 0.030 1 1056 101 101 GLY HA2 H 4.435 0.030 2 1057 101 101 GLY HA3 H 3.810 0.030 2 1058 101 101 GLY C C 171.943 0.300 1 1059 101 101 GLY CA C 44.936 0.300 1 1060 101 101 GLY N N 107.883 0.300 1 1061 102 102 THR H H 8.336 0.030 1 1062 102 102 THR HA H 4.571 0.030 1 1063 102 102 THR HB H 3.894 0.030 1 1064 102 102 THR HG2 H 1.221 0.030 1 1065 102 102 THR C C 175.335 0.300 1 1066 102 102 THR CA C 62.423 0.300 1 1067 102 102 THR CB C 69.756 0.300 1 1068 102 102 THR CG2 C 21.821 0.300 1 1069 103 103 GLY H H 9.142 0.030 1 1070 103 103 GLY HA2 H 3.900 0.030 2 1071 103 103 GLY HA3 H 4.313 0.030 2 1072 103 103 GLY C C 170.413 0.300 1 1073 103 103 GLY CA C 45.067 0.300 1 1074 103 103 GLY N N 115.256 0.300 1 1075 104 104 PRO HA H 4.281 0.030 1 1076 104 104 PRO HB2 H 2.279 0.030 2 1077 104 104 PRO HB3 H 1.636 0.030 2 1078 104 104 PRO HD2 H 3.153 0.030 2 1079 104 104 PRO HD3 H 3.581 0.030 2 1080 104 104 PRO HG2 H 1.877 0.030 2 1081 104 104 PRO HG3 H 1.692 0.030 2 1082 104 104 PRO C C 176.277 0.300 1 1083 104 104 PRO CA C 62.587 0.300 1 1084 104 104 PRO CB C 32.373 0.300 1 1085 104 104 PRO CD C 49.670 0.300 1 1086 104 104 PRO CG C 27.400 0.300 1 1087 105 105 ALA H H 8.217 0.030 1 1088 105 105 ALA HA H 5.006 0.030 1 1089 105 105 ALA HB H 1.078 0.030 1 1090 105 105 ALA C C 179.459 0.300 1 1091 105 105 ALA CA C 49.583 0.300 1 1092 105 105 ALA CB C 21.324 0.300 1 1093 105 105 ALA N N 122.626 0.300 1 1094 106 106 THR H H 8.269 0.030 1 1095 106 106 THR HA H 4.137 0.030 1 1096 106 106 THR HB H 4.768 0.030 1 1097 106 106 THR HG2 H 1.421 0.030 1 1098 106 106 THR C C 174.862 0.300 1 1099 106 106 THR CA C 62.401 0.300 1 1100 106 106 THR CB C 71.875 0.300 1 1101 106 106 THR CG2 C 21.697 0.300 1 1102 106 106 THR N N 109.319 0.300 1 1103 107 107 ASP H H 8.513 0.030 1 1104 107 107 ASP HA H 4.519 0.030 1 1105 107 107 ASP HB2 H 2.831 0.030 2 1106 107 107 ASP HB3 H 2.570 0.030 2 1107 107 107 ASP C C 177.221 0.300 1 1108 107 107 ASP CA C 54.996 0.300 1 1109 107 107 ASP CB C 41.048 0.300 1 1110 107 107 ASP N N 120.255 0.300 1 1111 108 108 TRP H H 8.397 0.030 1 1112 108 108 TRP HA H 4.763 0.030 1 1113 108 108 TRP HB2 H 3.029 0.030 2 1114 108 108 TRP HB3 H 2.891 0.030 2 1115 108 108 TRP HD1 H 7.327 0.030 1 1116 108 108 TRP HE1 H 10.109 0.030 1 1117 108 108 TRP HE3 H 7.202 0.030 1 1118 108 108 TRP HH2 H 6.680 0.030 1 1119 108 108 TRP HZ2 H 7.425 0.030 1 1120 108 108 TRP HZ3 H 6.796 0.030 1 1121 108 108 TRP C C 176.793 0.300 1 1122 108 108 TRP CA C 57.499 0.300 1 1123 108 108 TRP CB C 30.943 0.300 1 1124 108 108 TRP CD1 C 129.001 0.300 1 1125 108 108 TRP CE3 C 120.412 0.300 1 1126 108 108 TRP CH2 C 122.555 0.300 1 1127 108 108 TRP CZ2 C 115.366 0.300 1 1128 108 108 TRP CZ3 C 121.166 0.300 1 1129 108 108 TRP N N 120.662 0.300 1 1130 108 108 TRP NE1 N 130.277 0.300 1 1131 109 109 LEU H H 9.601 0.030 1 1132 109 109 LEU HA H 4.955 0.030 1 1133 109 109 LEU HB2 H 1.837 0.030 2 1134 109 109 LEU HB3 H 1.612 0.030 2 1135 109 109 LEU HD1 H 1.087 0.030 1 1136 109 109 LEU HD2 H 0.958 0.030 1 1137 109 109 LEU HG H 1.817 0.030 1 1138 109 109 LEU C C 176.940 0.300 1 1139 109 109 LEU CA C 54.203 0.300 1 1140 109 109 LEU CB C 46.434 0.300 1 1141 109 109 LEU CD1 C 24.308 0.300 2 1142 109 109 LEU CD2 C 25.641 0.300 2 1143 109 109 LEU CG C 27.675 0.300 1 1144 109 109 LEU N N 126.933 0.300 1 1145 110 110 SER H H 8.603 0.030 1 1146 110 110 SER HA H 6.100 0.030 1 1147 110 110 SER HB2 H 3.772 0.030 2 1148 110 110 SER HB3 H 3.879 0.030 2 1149 110 110 SER C C 173.935 0.300 1 1150 110 110 SER CA C 58.106 0.300 1 1151 110 110 SER CB C 65.936 0.300 1 1152 110 110 SER N N 119.053 0.300 1 1153 111 111 ALA H H 8.913 0.030 1 1154 111 111 ALA HA H 4.570 0.030 1 1155 111 111 ALA HB H 1.351 0.030 1 1156 111 111 ALA C C 174.695 0.300 1 1157 111 111 ALA CA C 52.317 0.300 1 1158 111 111 ALA CB C 23.889 0.300 1 1159 111 111 ALA N N 122.286 0.300 1 1160 112 112 GLU H H 8.499 0.030 1 1161 112 112 GLU HA H 5.483 0.030 1 1162 112 112 GLU HB2 H 1.884 0.030 2 1163 112 112 GLU HB3 H 1.751 0.030 2 1164 112 112 GLU HG2 H 2.105 0.030 2 1165 112 112 GLU HG3 H 1.967 0.030 2 1166 112 112 GLU C C 176.642 0.300 1 1167 112 112 GLU CA C 53.574 0.300 1 1168 112 112 GLU CB C 32.887 0.300 1 1169 112 112 GLU CG C 36.155 0.300 1 1170 112 112 GLU N N 120.061 0.300 1 1171 113 113 THR H H 8.565 0.030 1 1172 113 113 THR HA H 3.875 0.030 1 1173 113 113 THR HB H 4.584 0.030 1 1174 113 113 THR HG2 H 1.141 0.030 1 1175 113 113 THR C C 175.507 0.300 1 1176 113 113 THR CA C 61.569 0.300 1 1177 113 113 THR CB C 69.266 0.300 1 1178 113 113 THR CG2 C 24.620 0.300 1 1179 113 113 THR N N 113.391 0.300 1 1180 114 114 PHE H H 5.859 0.030 1 1181 114 114 PHE HA H 4.838 0.030 1 1182 114 114 PHE HB2 H 3.702 0.030 2 1183 114 114 PHE HB3 H 2.413 0.030 2 1184 114 114 PHE HD1 H 7.227 0.030 1 1185 114 114 PHE HD2 H 7.227 0.030 1 1186 114 114 PHE HE1 H 7.303 0.030 1 1187 114 114 PHE HE2 H 7.303 0.030 1 1188 114 114 PHE HZ H 7.285 0.030 1 1189 114 114 PHE C C 176.743 0.300 1 1190 114 114 PHE CA C 55.317 0.300 1 1191 114 114 PHE CB C 38.965 0.300 1 1192 114 114 PHE CD1 C 130.456 0.300 1 1193 114 114 PHE CD2 C 130.456 0.300 1 1194 114 114 PHE CE1 C 131.730 0.300 1 1195 114 114 PHE CE2 C 131.730 0.300 1 1196 114 114 PHE CZ C 130.222 0.300 1 1197 114 114 PHE N N 117.498 0.300 1 1198 115 115 GLU H H 8.909 0.030 1 1199 115 115 GLU HA H 4.013 0.030 1 1200 115 115 GLU HB2 H 2.084 0.030 1 1201 115 115 GLU HB3 H 2.084 0.030 1 1202 115 115 GLU HG2 H 2.383 0.030 2 1203 115 115 GLU HG3 H 2.286 0.030 2 1204 115 115 GLU C C 176.090 0.300 1 1205 115 115 GLU CA C 58.818 0.300 1 1206 115 115 GLU CB C 30.480 0.300 1 1207 115 115 GLU CG C 36.487 0.300 1 1208 115 115 GLU N N 119.778 0.300 1 1209 116 116 SER H H 7.737 0.030 1 1210 116 116 SER HA H 4.579 0.030 1 1211 116 116 SER HB2 H 3.810 0.030 1 1212 116 116 SER HB3 H 3.810 0.030 1 1213 116 116 SER C C 173.007 0.300 1 1214 116 116 SER CA C 56.805 0.300 1 1215 116 116 SER CB C 65.120 0.300 1 1216 116 116 SER N N 109.866 0.300 1 1217 117 117 ASP H H 8.746 0.030 1 1218 117 117 ASP HA H 4.892 0.030 1 1219 117 117 ASP HB2 H 2.885 0.030 2 1220 117 117 ASP HB3 H 2.581 0.030 2 1221 117 117 ASP C C 176.125 0.300 1 1222 117 117 ASP CA C 54.535 0.300 1 1223 117 117 ASP CB C 41.642 0.300 1 1224 117 117 ASP N N 121.823 0.300 1 1225 118 118 LEU H H 8.397 0.030 1 1226 118 118 LEU HA H 4.283 0.030 1 1227 118 118 LEU HB2 H 1.627 0.030 2 1228 118 118 LEU HB3 H 1.561 0.030 2 1229 118 118 LEU HD1 H 0.866 0.030 1 1230 118 118 LEU HD2 H 0.817 0.030 1 1231 118 118 LEU C C 177.147 0.300 1 1232 118 118 LEU CA C 55.471 0.300 1 1233 118 118 LEU CB C 42.277 0.300 1 1234 118 118 LEU CD1 C 24.873 0.300 2 1235 118 118 LEU CD2 C 23.452 0.300 2 1236 118 118 LEU CG C 26.930 0.300 1 1237 118 118 LEU N N 122.095 0.300 1 1238 119 119 ASP H H 8.328 0.030 1 1239 119 119 ASP HA H 4.560 0.030 1 1240 119 119 ASP HB2 H 2.669 0.030 2 1241 119 119 ASP HB3 H 2.588 0.030 2 1242 119 119 ASP C C 176.391 0.300 1 1243 119 119 ASP CA C 54.422 0.300 1 1244 119 119 ASP CB C 41.068 0.300 1 1245 119 119 ASP N N 120.976 0.300 1 1246 120 120 GLU H H 8.409 0.030 1 1247 120 120 GLU HA H 4.304 0.030 1 1248 120 120 GLU HB2 H 2.088 0.030 2 1249 120 120 GLU HB3 H 1.956 0.030 2 1250 120 120 GLU HG2 H 2.269 0.030 2 1251 120 120 GLU HG3 H 2.217 0.030 2 1252 120 120 GLU C C 176.665 0.300 1 1253 120 120 GLU CA C 56.849 0.300 1 1254 120 120 GLU CB C 30.346 0.300 1 1255 120 120 GLU CG C 36.398 0.300 1 1256 120 120 GLU N N 121.807 0.300 1 1257 121 121 THR H H 8.287 0.030 1 1258 121 121 THR HA H 4.264 0.030 1 1259 121 121 THR HB H 4.179 0.030 1 1260 121 121 THR HG2 H 1.189 0.030 1 1261 121 121 THR C C 174.507 0.300 1 1262 121 121 THR CA C 62.484 0.300 1 1263 121 121 THR CB C 69.767 0.300 1 1264 121 121 THR CG2 C 21.693 0.300 1 1265 121 121 THR N N 115.082 0.300 1 1266 122 122 ARG H H 8.185 0.030 1 1267 122 122 ARG HA H 4.377 0.030 1 1268 122 122 ARG HB2 H 1.807 0.030 2 1269 122 122 ARG HB3 H 1.727 0.030 2 1270 122 122 ARG HG2 H 1.585 0.030 2 1271 122 122 ARG C C 175.864 0.300 1 1272 122 122 ARG CA C 55.715 0.300 1 1273 122 122 ARG CB C 30.892 0.300 1 1274 122 122 ARG CD C 43.397 0.300 1 1275 122 122 ARG CG C 27.012 0.300 1 1276 122 122 ARG N N 124.151 0.300 1 1277 123 123 VAL H H 8.256 0.030 1 1278 123 123 VAL HA H 4.383 0.030 1 1279 123 123 VAL HB H 2.080 0.030 1 1280 123 123 VAL HG1 H 0.931 0.030 1 1281 123 123 VAL HG2 H 0.970 0.030 1 1282 123 123 VAL C C 174.516 0.300 1 1283 123 123 VAL CA C 59.929 0.300 1 1284 123 123 VAL CB C 32.362 0.300 1 1285 123 123 VAL CG1 C 20.326 0.300 2 1286 123 123 VAL CG2 C 21.078 0.300 2 1287 123 123 VAL N N 123.663 0.300 1 1288 124 124 PRO HA H 4.367 0.030 1 1289 124 124 PRO HB2 H 2.269 0.030 2 1290 124 124 PRO HB3 H 1.671 0.030 2 1291 124 124 PRO HD2 H 3.872 0.030 2 1292 124 124 PRO HD3 H 3.674 0.030 2 1293 124 124 PRO HG2 H 2.022 0.030 2 1294 124 124 PRO HG3 H 1.964 0.030 2 1295 124 124 PRO C C 176.790 0.300 1 1296 124 124 PRO CA C 63.218 0.300 1 1297 124 124 PRO CB C 32.220 0.300 1 1298 124 124 PRO CD C 50.979 0.300 1 1299 124 124 PRO CG C 27.478 0.300 1 1300 125 125 GLU H H 8.499 0.030 1 1301 125 125 GLU HA H 4.254 0.030 1 1302 125 125 GLU HB2 H 2.005 0.030 2 1303 125 125 GLU HB3 H 1.923 0.030 2 1304 125 125 GLU HG2 H 2.287 0.030 2 1305 125 125 GLU HG3 H 2.254 0.030 2 1306 125 125 GLU C C 176.637 0.300 1 1307 125 125 GLU CA C 56.621 0.300 1 1308 125 125 GLU CB C 30.323 0.300 1 1309 125 125 GLU CG C 36.269 0.300 1 1310 125 125 GLU N N 121.629 0.300 1 1311 126 126 VAL H H 8.254 0.030 1 1312 126 126 VAL HA H 4.167 0.030 1 1313 126 126 VAL HB H 2.065 0.030 1 1314 126 126 VAL HG1 H 0.913 0.030 1 1315 126 126 VAL HG2 H 0.921 0.030 1 1316 126 126 VAL C C 176.098 0.300 1 1317 126 126 VAL CA C 62.126 0.300 1 1318 126 126 VAL CB C 32.910 0.300 1 1319 126 126 VAL CG1 C 20.703 0.300 2 1320 126 126 VAL CG2 C 20.703 0.300 2 1321 126 126 VAL N N 121.481 0.300 1 1322 127 127 SER H H 8.442 0.030 1 1323 127 127 SER HA H 4.498 0.030 1 1324 127 127 SER HB2 H 3.844 0.030 2 1325 127 127 SER HB3 H 3.909 0.030 2 1326 127 127 SER C C 174.535 0.300 1 1327 127 127 SER CA C 58.416 0.300 1 1328 127 127 SER CB C 64.053 0.300 1 1329 127 127 SER N N 119.903 0.300 1 1330 128 128 GLY H H 8.273 0.030 1 1331 128 128 GLY HA2 H 4.174 0.030 2 1332 128 128 GLY HA3 H 4.055 0.030 2 1333 128 128 GLY C C 171.700 0.300 1 1334 128 128 GLY CA C 44.644 0.300 1 1335 128 128 GLY N N 110.931 0.300 1 1336 129 129 PRO HA H 4.466 0.030 1 1337 129 129 PRO HB2 H 2.278 0.030 2 1338 129 129 PRO HB3 H 1.947 0.030 2 1339 129 129 PRO HD2 H 3.616 0.030 1 1340 129 129 PRO HD3 H 3.616 0.030 1 1341 129 129 PRO HG2 H 2.001 0.030 1 1342 129 129 PRO HG3 H 2.001 0.030 1 1343 129 129 PRO C C 177.374 0.300 1 1344 129 129 PRO CA C 63.210 0.300 1 1345 129 129 PRO CB C 32.086 0.300 1 1346 129 129 PRO CD C 49.789 0.300 1 1347 129 129 PRO CG C 27.191 0.300 1 1348 130 130 SER H H 8.541 0.030 1 1349 130 130 SER C C 174.686 0.300 1 1350 130 130 SER CA C 58.368 0.300 1 1351 130 130 SER CB C 63.958 0.300 1 1352 130 130 SER N N 116.564 0.300 1 stop_ save_