data_11121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the second fibronectin type III domain of human Neogenin ; _BMRB_accession_number 11121 _BMRB_flat_file_name bmr11121.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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 598 "13C chemical shifts" 463 "15N chemical shifts" 108 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 second 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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 116 _Mol_residue_sequence ; GSSGSSGRVETQPEVQLPGP APNLRAYAASPTSITVTWET PVSGNGEIQNYKLYYMEKGT DKEQDVDVSSHSYTINGLKK YTEYSFRVVAYNKHGPGVST PDVAVRTLSDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 VAL 10 GLU 11 THR 12 GLN 13 PRO 14 GLU 15 VAL 16 GLN 17 LEU 18 PRO 19 GLY 20 PRO 21 ALA 22 PRO 23 ASN 24 LEU 25 ARG 26 ALA 27 TYR 28 ALA 29 ALA 30 SER 31 PRO 32 THR 33 SER 34 ILE 35 THR 36 VAL 37 THR 38 TRP 39 GLU 40 THR 41 PRO 42 VAL 43 SER 44 GLY 45 ASN 46 GLY 47 GLU 48 ILE 49 GLN 50 ASN 51 TYR 52 LYS 53 LEU 54 TYR 55 TYR 56 MET 57 GLU 58 LYS 59 GLY 60 THR 61 ASP 62 LYS 63 GLU 64 GLN 65 ASP 66 VAL 67 ASP 68 VAL 69 SER 70 SER 71 HIS 72 SER 73 TYR 74 THR 75 ILE 76 ASN 77 GLY 78 LEU 79 LYS 80 LYS 81 TYR 82 THR 83 GLU 84 TYR 85 SER 86 PHE 87 ARG 88 VAL 89 VAL 90 ALA 91 TYR 92 ASN 93 LYS 94 HIS 95 GLY 96 PRO 97 GLY 98 VAL 99 SER 100 THR 101 PRO 102 ASP 103 VAL 104 ALA 105 VAL 106 ARG 107 THR 108 LEU 109 SER 110 ASP 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-06 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 1X5G "The Solution Structure Of The Second Fibronectin Type Iii Domain Of Human Neogenin" 100.00 116 100.00 100.00 6.39e-77 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 . P041213-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.9mM 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 1.9 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $KUJIRA $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 7 7 GLY HA2 H 3.980 0.030 2 2 7 7 GLY C C 173.816 0.300 1 3 7 7 GLY CA C 45.283 0.300 1 4 8 8 ARG H H 8.108 0.030 1 5 8 8 ARG HA H 4.381 0.030 1 6 8 8 ARG HB2 H 1.817 0.030 2 7 8 8 ARG HB3 H 1.740 0.030 2 8 8 8 ARG HD2 H 3.211 0.030 2 9 8 8 ARG HG2 H 1.585 0.030 2 10 8 8 ARG C C 176.212 0.300 1 11 8 8 ARG CA C 55.966 0.300 1 12 8 8 ARG CB C 31.083 0.300 1 13 8 8 ARG CD C 43.385 0.300 1 14 8 8 ARG CG C 27.072 0.300 1 15 8 8 ARG N N 120.875 0.300 1 16 9 9 VAL H H 8.314 0.030 1 17 9 9 VAL HA H 4.112 0.030 1 18 9 9 VAL HB H 2.041 0.030 1 19 9 9 VAL HG1 H 0.921 0.030 1 20 9 9 VAL HG2 H 0.934 0.030 1 21 9 9 VAL C C 176.202 0.300 1 22 9 9 VAL CA C 62.364 0.300 1 23 9 9 VAL CB C 32.764 0.300 1 24 9 9 VAL CG1 C 21.111 0.300 2 25 9 9 VAL CG2 C 20.593 0.300 2 26 9 9 VAL N N 122.678 0.300 1 27 10 10 GLU H H 8.631 0.030 1 28 10 10 GLU HA H 4.369 0.030 1 29 10 10 GLU HB2 H 2.067 0.030 2 30 10 10 GLU HB3 H 1.942 0.030 2 31 10 10 GLU HG2 H 2.248 0.030 2 32 10 10 GLU HG3 H 2.338 0.030 2 33 10 10 GLU C C 176.485 0.300 1 34 10 10 GLU CA C 56.478 0.300 1 35 10 10 GLU CB C 30.388 0.300 1 36 10 10 GLU CG C 36.901 0.300 1 37 10 10 GLU N N 125.410 0.300 1 38 11 11 THR H H 8.185 0.030 1 39 11 11 THR HA H 4.301 0.030 1 40 11 11 THR HB H 4.157 0.030 1 41 11 11 THR HG2 H 1.181 0.030 1 42 11 11 THR C C 174.291 0.300 1 43 11 11 THR CA C 61.782 0.300 1 44 11 11 THR CB C 69.862 0.300 1 45 11 11 THR CG2 C 21.782 0.300 1 46 11 11 THR N N 115.813 0.300 1 47 12 12 GLN H H 8.457 0.030 1 48 12 12 GLN HA H 4.632 0.030 1 49 12 12 GLN HB2 H 2.107 0.030 2 50 12 12 GLN HB3 H 1.929 0.030 2 51 12 12 GLN HE21 H 7.570 0.030 2 52 12 12 GLN HE22 H 6.859 0.030 2 53 12 12 GLN HG2 H 2.380 0.030 1 54 12 12 GLN HG3 H 2.380 0.030 1 55 12 12 GLN C C 173.937 0.300 1 56 12 12 GLN CA C 53.661 0.300 1 57 12 12 GLN CB C 28.967 0.300 1 58 12 12 GLN CG C 33.514 0.300 1 59 12 12 GLN N N 123.943 0.300 1 60 12 12 GLN NE2 N 112.678 0.300 1 61 13 13 PRO HA H 4.370 0.030 1 62 13 13 PRO HB2 H 2.274 0.030 2 63 13 13 PRO HB3 H 1.865 0.030 2 64 13 13 PRO HD2 H 3.774 0.030 2 65 13 13 PRO HD3 H 3.663 0.030 2 66 13 13 PRO HG2 H 2.025 0.030 2 67 13 13 PRO C C 176.889 0.300 1 68 13 13 PRO CA C 63.283 0.300 1 69 13 13 PRO CB C 32.142 0.300 1 70 13 13 PRO CD C 50.649 0.300 1 71 13 13 PRO CG C 27.179 0.300 1 72 14 14 GLU H H 8.570 0.030 1 73 14 14 GLU HA H 4.193 0.030 1 74 14 14 GLU HB2 H 1.973 0.030 2 75 14 14 GLU HB3 H 1.912 0.030 2 76 14 14 GLU HG2 H 2.267 0.030 2 77 14 14 GLU HG3 H 2.204 0.030 2 78 14 14 GLU C C 176.747 0.300 1 79 14 14 GLU CA C 56.826 0.300 1 80 14 14 GLU CB C 30.172 0.300 1 81 14 14 GLU CG C 36.380 0.300 1 82 14 14 GLU N N 121.039 0.300 1 83 15 15 VAL H H 8.049 0.030 1 84 15 15 VAL HA H 3.789 0.030 1 85 15 15 VAL HB H 1.851 0.030 1 86 15 15 VAL HG1 H 0.764 0.030 1 87 15 15 VAL HG2 H 0.685 0.030 1 88 15 15 VAL C C 175.595 0.300 1 89 15 15 VAL CA C 62.221 0.300 1 90 15 15 VAL CB C 32.461 0.300 1 91 15 15 VAL CG1 C 20.311 0.300 2 92 15 15 VAL CG2 C 21.020 0.300 2 93 15 15 VAL N N 120.769 0.300 1 94 16 16 GLN H H 8.036 0.030 1 95 16 16 GLN HA H 4.317 0.030 1 96 16 16 GLN HB2 H 1.784 0.030 2 97 16 16 GLN HB3 H 1.738 0.030 2 98 16 16 GLN HE21 H 7.414 0.030 2 99 16 16 GLN HE22 H 6.773 0.030 2 100 16 16 GLN HG2 H 2.169 0.030 2 101 16 16 GLN HG3 H 2.220 0.030 2 102 16 16 GLN C C 175.746 0.300 1 103 16 16 GLN CA C 55.764 0.300 1 104 16 16 GLN CB C 30.013 0.300 1 105 16 16 GLN CG C 33.738 0.300 1 106 16 16 GLN N N 123.177 0.300 1 107 16 16 GLN NE2 N 111.989 0.300 1 108 17 17 LEU H H 8.124 0.030 1 109 17 17 LEU HA H 4.535 0.030 1 110 17 17 LEU HB2 H 1.568 0.030 2 111 17 17 LEU HB3 H 1.305 0.030 2 112 17 17 LEU HD1 H 0.881 0.030 1 113 17 17 LEU HD2 H 0.656 0.030 1 114 17 17 LEU HG H 1.569 0.030 1 115 17 17 LEU C C 174.038 0.300 1 116 17 17 LEU CA C 53.121 0.300 1 117 17 17 LEU CB C 40.819 0.300 1 118 17 17 LEU CD1 C 24.996 0.300 2 119 17 17 LEU CD2 C 22.488 0.300 2 120 17 17 LEU CG C 27.207 0.300 1 121 17 17 LEU N N 124.777 0.300 1 122 18 18 PRO HA H 4.574 0.030 1 123 18 18 PRO HB2 H 2.233 0.030 2 124 18 18 PRO HB3 H 1.976 0.030 2 125 18 18 PRO HD2 H 3.761 0.030 2 126 18 18 PRO HD3 H 3.189 0.030 2 127 18 18 PRO HG2 H 1.788 0.030 2 128 18 18 PRO HG3 H 1.747 0.030 2 129 18 18 PRO C C 177.576 0.300 1 130 18 18 PRO CA C 63.426 0.300 1 131 18 18 PRO CB C 33.459 0.300 1 132 18 18 PRO CD C 50.227 0.300 1 133 18 18 PRO CG C 28.277 0.300 1 134 19 19 GLY H H 7.737 0.030 1 135 19 19 GLY HA2 H 4.269 0.030 2 136 19 19 GLY HA3 H 3.893 0.030 2 137 19 19 GLY C C 170.581 0.300 1 138 19 19 GLY CA C 44.425 0.300 1 139 19 19 GLY N N 107.558 0.300 1 140 20 20 PRO HA H 4.766 0.030 1 141 20 20 PRO HB2 H 1.910 0.030 2 142 20 20 PRO HB3 H 1.780 0.030 2 143 20 20 PRO HD2 H 3.669 0.030 2 144 20 20 PRO HD3 H 3.396 0.030 2 145 20 20 PRO HG2 H 2.156 0.030 2 146 20 20 PRO HG3 H 2.029 0.030 2 147 20 20 PRO C C 177.981 0.300 1 148 20 20 PRO CA C 61.864 0.300 1 149 20 20 PRO CB C 31.118 0.300 1 150 20 20 PRO CD C 48.756 0.300 1 151 20 20 PRO CG C 26.752 0.300 1 152 21 21 ALA H H 9.467 0.030 1 153 21 21 ALA HA H 4.326 0.030 1 154 21 21 ALA HB H 1.531 0.030 1 155 21 21 ALA C C 174.119 0.300 1 156 21 21 ALA CA C 50.859 0.300 1 157 21 21 ALA CB C 18.543 0.300 1 158 21 21 ALA N N 131.073 0.300 1 159 22 22 PRO HA H 4.477 0.030 1 160 22 22 PRO HB2 H 2.313 0.030 2 161 22 22 PRO HB3 H 1.862 0.030 2 162 22 22 PRO HD2 H 3.338 0.030 2 163 22 22 PRO HD3 H 4.008 0.030 2 164 22 22 PRO HG2 H 1.994 0.030 2 165 22 22 PRO HG3 H 1.946 0.030 2 166 22 22 PRO C C 175.615 0.300 1 167 22 22 PRO CA C 62.076 0.300 1 168 22 22 PRO CB C 32.848 0.300 1 169 22 22 PRO CD C 51.407 0.300 1 170 22 22 PRO CG C 27.383 0.300 1 171 23 23 ASN H H 8.510 0.030 1 172 23 23 ASN HA H 4.231 0.030 1 173 23 23 ASN HB2 H 2.880 0.030 2 174 23 23 ASN HB3 H 2.430 0.030 2 175 23 23 ASN HD21 H 7.822 0.030 2 176 23 23 ASN HD22 H 6.731 0.030 2 177 23 23 ASN C C 173.755 0.300 1 178 23 23 ASN CA C 53.427 0.300 1 179 23 23 ASN CB C 36.932 0.300 1 180 23 23 ASN N N 112.956 0.300 1 181 23 23 ASN ND2 N 113.193 0.300 1 182 24 24 LEU H H 7.810 0.030 1 183 24 24 LEU HA H 5.156 0.030 1 184 24 24 LEU HB2 H 2.021 0.030 2 185 24 24 LEU HB3 H 1.332 0.030 2 186 24 24 LEU HD1 H 1.053 0.030 1 187 24 24 LEU HD2 H 1.058 0.030 1 188 24 24 LEU HG H 1.429 0.030 1 189 24 24 LEU C C 176.666 0.300 1 190 24 24 LEU CA C 55.995 0.300 1 191 24 24 LEU CB C 42.227 0.300 1 192 24 24 LEU CD1 C 25.863 0.300 2 193 24 24 LEU CD2 C 27.686 0.300 2 194 24 24 LEU CG C 27.512 0.300 1 195 24 24 LEU N N 119.333 0.300 1 196 25 25 ARG H H 9.576 0.030 1 197 25 25 ARG HA H 4.682 0.030 1 198 25 25 ARG HB2 H 1.717 0.030 1 199 25 25 ARG HB3 H 1.717 0.030 1 200 25 25 ARG HD2 H 3.192 0.030 2 201 25 25 ARG HD3 H 3.095 0.030 2 202 25 25 ARG HG2 H 1.588 0.030 2 203 25 25 ARG HG3 H 1.547 0.030 2 204 25 25 ARG C C 173.088 0.300 1 205 25 25 ARG CA C 54.865 0.300 1 206 25 25 ARG CB C 34.437 0.300 1 207 25 25 ARG CD C 43.759 0.300 1 208 25 25 ARG CG C 27.012 0.300 1 209 25 25 ARG N N 128.292 0.300 1 210 26 26 ALA H H 8.317 0.030 1 211 26 26 ALA HA H 5.251 0.030 1 212 26 26 ALA HB H 0.862 0.030 1 213 26 26 ALA C C 175.211 0.300 1 214 26 26 ALA CA C 50.463 0.300 1 215 26 26 ALA CB C 23.364 0.300 1 216 26 26 ALA N N 121.162 0.300 1 217 27 27 TYR H H 8.707 0.030 1 218 27 27 TYR HA H 4.828 0.030 1 219 27 27 TYR HB2 H 2.958 0.030 2 220 27 27 TYR HB3 H 2.857 0.030 2 221 27 27 TYR HD1 H 6.846 0.030 1 222 27 27 TYR HD2 H 6.846 0.030 1 223 27 27 TYR HE1 H 6.656 0.030 1 224 27 27 TYR HE2 H 6.656 0.030 1 225 27 27 TYR C C 173.190 0.300 1 226 27 27 TYR CA C 55.834 0.300 1 227 27 27 TYR CB C 40.840 0.300 1 228 27 27 TYR CD1 C 133.813 0.300 1 229 27 27 TYR CD2 C 133.813 0.300 1 230 27 27 TYR CE1 C 117.527 0.300 1 231 27 27 TYR CE2 C 117.527 0.300 1 232 27 27 TYR N N 117.486 0.300 1 233 28 28 ALA H H 9.050 0.030 1 234 28 28 ALA HA H 4.586 0.030 1 235 28 28 ALA HB H 1.582 0.030 1 236 28 28 ALA C C 175.757 0.300 1 237 28 28 ALA CA C 52.414 0.300 1 238 28 28 ALA CB C 19.394 0.300 1 239 28 28 ALA N N 125.354 0.300 1 240 29 29 ALA H H 8.243 0.030 1 241 29 29 ALA HA H 4.474 0.030 1 242 29 29 ALA HB H 1.294 0.030 1 243 29 29 ALA C C 176.889 0.300 1 244 29 29 ALA CA C 52.366 0.300 1 245 29 29 ALA CB C 19.727 0.300 1 246 29 29 ALA N N 127.669 0.300 1 247 30 30 SER H H 8.476 0.030 1 248 30 30 SER HA H 4.888 0.030 1 249 30 30 SER HB2 H 4.400 0.030 2 250 30 30 SER HB3 H 3.937 0.030 2 251 30 30 SER C C 172.481 0.300 1 252 30 30 SER CA C 57.787 0.300 1 253 30 30 SER CB C 63.284 0.300 1 254 30 30 SER N N 114.315 0.300 1 255 31 31 PRO HA H 4.976 0.030 1 256 31 31 PRO HB2 H 2.351 0.030 2 257 31 31 PRO HB3 H 1.895 0.030 2 258 31 31 PRO HD2 H 4.024 0.030 2 259 31 31 PRO HD3 H 3.822 0.030 2 260 31 31 PRO HG2 H 2.183 0.030 2 261 31 31 PRO HG3 H 1.725 0.030 2 262 31 31 PRO C C 173.735 0.300 1 263 31 31 PRO CA C 65.033 0.300 1 264 31 31 PRO CB C 32.863 0.300 1 265 31 31 PRO CD C 51.736 0.300 1 266 31 31 PRO CG C 28.418 0.300 1 267 32 32 THR H H 7.780 0.030 1 268 32 32 THR HA H 4.533 0.030 1 269 32 32 THR HB H 4.643 0.030 1 270 32 32 THR HG2 H 1.087 0.030 1 271 32 32 THR C C 174.169 0.300 1 272 32 32 THR CA C 59.047 0.300 1 273 32 32 THR CB C 70.828 0.300 1 274 32 32 THR CG2 C 21.049 0.300 1 275 32 32 THR N N 97.834 0.300 1 276 33 33 SER H H 7.260 0.030 1 277 33 33 SER HA H 5.623 0.030 1 278 33 33 SER HB2 H 3.664 0.030 2 279 33 33 SER HB3 H 3.459 0.030 2 280 33 33 SER C C 173.068 0.300 1 281 33 33 SER CA C 56.802 0.300 1 282 33 33 SER CB C 67.075 0.300 1 283 33 33 SER N N 114.490 0.300 1 284 34 34 ILE H H 7.998 0.030 1 285 34 34 ILE HA H 4.499 0.030 1 286 34 34 ILE HB H 1.075 0.030 1 287 34 34 ILE HD1 H 0.887 0.030 1 288 34 34 ILE HG12 H 1.496 0.030 2 289 34 34 ILE HG13 H 0.700 0.030 2 290 34 34 ILE HG2 H 0.314 0.030 1 291 34 34 ILE C C 173.209 0.300 1 292 34 34 ILE CA C 59.887 0.300 1 293 34 34 ILE CB C 43.943 0.300 1 294 34 34 ILE CD1 C 15.358 0.300 1 295 34 34 ILE CG1 C 29.424 0.300 1 296 34 34 ILE CG2 C 18.199 0.300 1 297 34 34 ILE N N 122.790 0.300 1 298 35 35 THR H H 8.612 0.030 1 299 35 35 THR HA H 4.686 0.030 1 300 35 35 THR HB H 3.078 0.030 1 301 35 35 THR HG2 H 0.862 0.030 1 302 35 35 THR C C 171.874 0.300 1 303 35 35 THR CA C 62.144 0.300 1 304 35 35 THR CB C 70.505 0.300 1 305 35 35 THR CG2 C 22.060 0.300 1 306 35 35 THR N N 124.680 0.300 1 307 36 36 VAL H H 8.925 0.030 1 308 36 36 VAL HA H 4.826 0.030 1 309 36 36 VAL HB H 1.937 0.030 1 310 36 36 VAL HG1 H 0.974 0.030 1 311 36 36 VAL HG2 H 0.238 0.030 1 312 36 36 VAL C C 174.412 0.300 1 313 36 36 VAL CA C 60.236 0.300 1 314 36 36 VAL CB C 34.094 0.300 1 315 36 36 VAL CG1 C 22.965 0.300 2 316 36 36 VAL CG2 C 21.568 0.300 2 317 36 36 VAL N N 129.216 0.300 1 318 37 37 THR H H 9.143 0.030 1 319 37 37 THR HA H 4.850 0.030 1 320 37 37 THR HB H 4.027 0.030 1 321 37 37 THR HG2 H 1.030 0.030 1 322 37 37 THR C C 172.269 0.300 1 323 37 37 THR CA C 60.485 0.300 1 324 37 37 THR CB C 72.132 0.300 1 325 37 37 THR CG2 C 20.876 0.300 1 326 37 37 THR N N 117.368 0.300 1 327 38 38 TRP H H 7.692 0.030 1 328 38 38 TRP HA H 4.924 0.030 1 329 38 38 TRP HB2 H 3.565 0.030 2 330 38 38 TRP HB3 H 2.918 0.030 2 331 38 38 TRP HD1 H 6.754 0.030 1 332 38 38 TRP HE1 H 5.720 0.030 1 333 38 38 TRP HE3 H 6.965 0.030 1 334 38 38 TRP HH2 H 6.532 0.030 1 335 38 38 TRP HZ2 H 6.948 0.030 1 336 38 38 TRP HZ3 H 6.504 0.030 1 337 38 38 TRP C C 173.755 0.300 1 338 38 38 TRP CA C 57.316 0.300 1 339 38 38 TRP CB C 30.003 0.300 1 340 38 38 TRP CD1 C 125.750 0.300 1 341 38 38 TRP CE3 C 120.262 0.300 1 342 38 38 TRP CH2 C 121.979 0.300 1 343 38 38 TRP CZ2 C 114.569 0.300 1 344 38 38 TRP CZ3 C 120.954 0.300 1 345 38 38 TRP N N 118.439 0.300 1 346 38 38 TRP NE1 N 123.465 0.300 1 347 39 39 GLU H H 7.946 0.030 1 348 39 39 GLU HA H 4.614 0.030 1 349 39 39 GLU HB2 H 2.156 0.030 2 350 39 39 GLU HB3 H 1.790 0.030 2 351 39 39 GLU HG2 H 2.246 0.030 2 352 39 39 GLU HG3 H 2.172 0.030 2 353 39 39 GLU C C 175.110 0.300 1 354 39 39 GLU CA C 54.198 0.300 1 355 39 39 GLU CB C 32.009 0.300 1 356 39 39 GLU CG C 37.205 0.300 1 357 39 39 GLU N N 117.013 0.300 1 358 40 40 THR H H 7.954 0.030 1 359 40 40 THR HA H 5.012 0.030 1 360 40 40 THR HB H 3.998 0.030 1 361 40 40 THR HG2 H 1.605 0.030 1 362 40 40 THR C C 173.836 0.300 1 363 40 40 THR CA C 61.404 0.300 1 364 40 40 THR CB C 70.656 0.300 1 365 40 40 THR CG2 C 21.980 0.300 1 366 40 40 THR N N 115.644 0.300 1 367 41 41 PRO HA H 4.458 0.030 1 368 41 41 PRO HB2 H 2.197 0.030 2 369 41 41 PRO HB3 H 1.954 0.030 2 370 41 41 PRO HD2 H 4.217 0.030 2 371 41 41 PRO HD3 H 4.580 0.030 2 372 41 41 PRO HG2 H 2.017 0.030 2 373 41 41 PRO HG3 H 1.930 0.030 2 374 41 41 PRO C C 176.404 0.300 1 375 41 41 PRO CA C 63.385 0.300 1 376 41 41 PRO CB C 33.089 0.300 1 377 41 41 PRO CD C 51.861 0.300 1 378 41 41 PRO CG C 27.672 0.300 1 379 42 42 VAL H H 8.611 0.030 1 380 42 42 VAL HA H 4.164 0.030 1 381 42 42 VAL HB H 2.265 0.030 1 382 42 42 VAL HG1 H 1.032 0.030 1 383 42 42 VAL HG2 H 1.004 0.030 1 384 42 42 VAL C C 176.333 0.300 1 385 42 42 VAL CA C 62.693 0.300 1 386 42 42 VAL CB C 31.982 0.300 1 387 42 42 VAL CG1 C 21.527 0.300 2 388 42 42 VAL CG2 C 20.013 0.300 2 389 42 42 VAL N N 118.580 0.300 1 390 43 43 SER H H 7.872 0.030 1 391 43 43 SER HA H 4.604 0.030 1 392 43 43 SER HB2 H 3.952 0.030 2 393 43 43 SER HB3 H 3.811 0.030 2 394 43 43 SER C C 174.635 0.300 1 395 43 43 SER CA C 57.712 0.300 1 396 43 43 SER CB C 64.950 0.300 1 397 43 43 SER N N 116.037 0.300 1 398 44 44 GLY H H 8.443 0.030 1 399 44 44 GLY HA2 H 4.012 0.030 2 400 44 44 GLY HA3 H 3.557 0.030 2 401 44 44 GLY C C 173.886 0.300 1 402 44 44 GLY CA C 45.429 0.300 1 403 44 44 GLY N N 111.377 0.300 1 404 45 45 ASN H H 8.087 0.030 1 405 45 45 ASN HA H 4.758 0.030 1 406 45 45 ASN HB2 H 2.814 0.030 1 407 45 45 ASN HB3 H 2.814 0.030 1 408 45 45 ASN HD21 H 7.859 0.030 2 409 45 45 ASN HD22 H 7.004 0.030 2 410 45 45 ASN C C 174.918 0.300 1 411 45 45 ASN CA C 53.412 0.300 1 412 45 45 ASN CB C 39.420 0.300 1 413 45 45 ASN N N 119.017 0.300 1 414 45 45 ASN ND2 N 112.668 0.300 1 415 46 46 GLY H H 8.295 0.030 1 416 46 46 GLY HA2 H 4.205 0.030 2 417 46 46 GLY HA3 H 3.879 0.030 2 418 46 46 GLY C C 173.795 0.300 1 419 46 46 GLY CA C 45.004 0.300 1 420 46 46 GLY N N 110.368 0.300 1 421 47 47 GLU H H 8.388 0.030 1 422 47 47 GLU HA H 4.336 0.030 1 423 47 47 GLU HB2 H 2.029 0.030 2 424 47 47 GLU HB3 H 1.942 0.030 2 425 47 47 GLU HG2 H 2.289 0.030 2 426 47 47 GLU HG3 H 2.240 0.030 2 427 47 47 GLU C C 176.899 0.300 1 428 47 47 GLU CA C 56.142 0.300 1 429 47 47 GLU CB C 30.412 0.300 1 430 47 47 GLU CG C 36.259 0.300 1 431 47 47 GLU N N 120.527 0.300 1 432 48 48 ILE H H 8.553 0.030 1 433 48 48 ILE HA H 4.050 0.030 1 434 48 48 ILE HB H 2.000 0.030 1 435 48 48 ILE HD1 H 0.795 0.030 1 436 48 48 ILE HG12 H 1.538 0.030 2 437 48 48 ILE HG13 H 1.558 0.030 2 438 48 48 ILE HG2 H 0.457 0.030 1 439 48 48 ILE C C 177.001 0.300 1 440 48 48 ILE CA C 60.019 0.300 1 441 48 48 ILE CB C 36.123 0.300 1 442 48 48 ILE CD1 C 11.022 0.300 1 443 48 48 ILE CG1 C 27.522 0.300 1 444 48 48 ILE CG2 C 17.479 0.300 1 445 48 48 ILE N N 122.680 0.300 1 446 49 49 GLN H H 9.013 0.030 1 447 49 49 GLN HA H 4.298 0.030 1 448 49 49 GLN HB2 H 2.018 0.030 2 449 49 49 GLN HB3 H 1.650 0.030 2 450 49 49 GLN HE21 H 7.209 0.030 2 451 49 49 GLN HE22 H 6.897 0.030 2 452 49 49 GLN HG2 H 2.229 0.030 1 453 49 49 GLN HG3 H 2.229 0.030 1 454 49 49 GLN C C 175.200 0.300 1 455 49 49 GLN CA C 56.097 0.300 1 456 49 49 GLN CB C 30.632 0.300 1 457 49 49 GLN CG C 33.804 0.300 1 458 49 49 GLN N N 126.092 0.300 1 459 49 49 GLN NE2 N 111.894 0.300 1 460 50 50 ASN H H 7.372 0.030 1 461 50 50 ASN HA H 4.566 0.030 1 462 50 50 ASN HB2 H 2.634 0.030 2 463 50 50 ASN HB3 H 2.337 0.030 2 464 50 50 ASN HD21 H 6.426 0.030 2 465 50 50 ASN HD22 H 6.283 0.030 2 466 50 50 ASN C C 171.237 0.300 1 467 50 50 ASN CA C 53.470 0.300 1 468 50 50 ASN CB C 41.115 0.300 1 469 50 50 ASN N N 113.510 0.300 1 470 50 50 ASN ND2 N 111.795 0.300 1 471 51 51 TYR H H 8.703 0.030 1 472 51 51 TYR HA H 5.254 0.030 1 473 51 51 TYR HB2 H 3.153 0.030 2 474 51 51 TYR HB3 H 2.500 0.030 2 475 51 51 TYR HD1 H 7.085 0.030 1 476 51 51 TYR HD2 H 7.085 0.030 1 477 51 51 TYR HE1 H 6.514 0.030 1 478 51 51 TYR HE2 H 6.514 0.030 1 479 51 51 TYR C C 174.281 0.300 1 480 51 51 TYR CA C 57.286 0.300 1 481 51 51 TYR CB C 40.605 0.300 1 482 51 51 TYR N N 119.155 0.300 1 483 52 52 LYS H H 9.625 0.030 1 484 52 52 LYS HA H 4.963 0.030 1 485 52 52 LYS HB2 H 1.626 0.030 2 486 52 52 LYS HB3 H 1.479 0.030 2 487 52 52 LYS HD2 H 1.284 0.030 2 488 52 52 LYS HD3 H 1.559 0.030 2 489 52 52 LYS HE2 H 2.838 0.030 2 490 52 52 LYS HE3 H 2.636 0.030 2 491 52 52 LYS HG2 H 0.993 0.030 2 492 52 52 LYS HG3 H 0.810 0.030 2 493 52 52 LYS C C 173.623 0.300 1 494 52 52 LYS CA C 55.760 0.300 1 495 52 52 LYS CB C 35.161 0.300 1 496 52 52 LYS CD C 29.245 0.300 1 497 52 52 LYS CE C 40.224 0.300 1 498 52 52 LYS CG C 24.637 0.300 1 499 52 52 LYS N N 122.953 0.300 1 500 53 53 LEU H H 8.761 0.030 1 501 53 53 LEU HA H 4.802 0.030 1 502 53 53 LEU HB2 H 1.797 0.030 2 503 53 53 LEU HB3 H 0.902 0.030 2 504 53 53 LEU HD1 H 1.016 0.030 1 505 53 53 LEU HD2 H 0.888 0.030 1 506 53 53 LEU HG H 1.566 0.030 1 507 53 53 LEU C C 174.675 0.300 1 508 53 53 LEU CA C 53.281 0.300 1 509 53 53 LEU CB C 43.748 0.300 1 510 53 53 LEU CD1 C 24.912 0.300 2 511 53 53 LEU CD2 C 26.744 0.300 2 512 53 53 LEU CG C 27.948 0.300 1 513 53 53 LEU N N 128.814 0.300 1 514 54 54 TYR H H 9.243 0.030 1 515 54 54 TYR HA H 5.542 0.030 1 516 54 54 TYR HB2 H 2.800 0.030 2 517 54 54 TYR HB3 H 2.702 0.030 2 518 54 54 TYR HD1 H 6.799 0.030 1 519 54 54 TYR HD2 H 6.799 0.030 1 520 54 54 TYR HE1 H 6.608 0.030 1 521 54 54 TYR HE2 H 6.608 0.030 1 522 54 54 TYR C C 176.424 0.300 1 523 54 54 TYR CA C 56.517 0.300 1 524 54 54 TYR CB C 41.306 0.300 1 525 54 54 TYR CD1 C 133.620 0.300 1 526 54 54 TYR CD2 C 133.620 0.300 1 527 54 54 TYR CE1 C 117.500 0.300 1 528 54 54 TYR CE2 C 117.500 0.300 1 529 54 54 TYR N N 125.314 0.300 1 530 55 55 TYR H H 9.056 0.030 1 531 55 55 TYR HA H 5.844 0.030 1 532 55 55 TYR HB2 H 2.941 0.030 2 533 55 55 TYR HB3 H 2.292 0.030 2 534 55 55 TYR HD1 H 6.742 0.030 1 535 55 55 TYR HD2 H 6.742 0.030 1 536 55 55 TYR HE1 H 6.551 0.030 1 537 55 55 TYR HE2 H 6.551 0.030 1 538 55 55 TYR C C 174.088 0.300 1 539 55 55 TYR CA C 54.968 0.300 1 540 55 55 TYR CB C 44.256 0.300 1 541 55 55 TYR CD1 C 133.071 0.300 1 542 55 55 TYR CD2 C 133.071 0.300 1 543 55 55 TYR CE1 C 118.086 0.300 1 544 55 55 TYR CE2 C 118.086 0.300 1 545 55 55 TYR N N 116.930 0.300 1 546 56 56 MET H H 8.499 0.030 1 547 56 56 MET HA H 4.802 0.030 1 548 56 56 MET HB2 H 1.993 0.030 2 549 56 56 MET HB3 H 1.806 0.030 2 550 56 56 MET HE H 1.861 0.030 1 551 56 56 MET HG2 H 2.243 0.030 2 552 56 56 MET HG3 H 2.128 0.030 2 553 56 56 MET C C 174.462 0.300 1 554 56 56 MET CA C 54.513 0.300 1 555 56 56 MET CB C 38.019 0.300 1 556 56 56 MET CE C 16.793 0.300 1 557 56 56 MET CG C 29.680 0.300 1 558 56 56 MET N N 117.844 0.300 1 559 57 57 GLU H H 9.078 0.030 1 560 57 57 GLU HA H 3.697 0.030 1 561 57 57 GLU HB2 H 1.860 0.030 1 562 57 57 GLU HB3 H 1.860 0.030 1 563 57 57 GLU HG2 H 1.944 0.030 2 564 57 57 GLU HG3 H 1.728 0.030 2 565 57 57 GLU C C 176.657 0.300 1 566 57 57 GLU CA C 56.069 0.300 1 567 57 57 GLU CB C 29.369 0.300 1 568 57 57 GLU CG C 34.787 0.300 1 569 57 57 GLU N N 127.356 0.300 1 570 58 58 LYS H H 8.526 0.030 1 571 58 58 LYS HA H 3.907 0.030 1 572 58 58 LYS HB2 H 1.644 0.030 2 573 58 58 LYS HB3 H 1.413 0.030 2 574 58 58 LYS HD2 H 1.499 0.030 2 575 58 58 LYS HE2 H 2.880 0.030 2 576 58 58 LYS HG2 H 1.308 0.030 2 577 58 58 LYS HG3 H 1.238 0.030 2 578 58 58 LYS C C 177.222 0.300 1 579 58 58 LYS CA C 58.651 0.300 1 580 58 58 LYS CB C 32.240 0.300 1 581 58 58 LYS CD C 29.117 0.300 1 582 58 58 LYS CE C 41.953 0.300 1 583 58 58 LYS CG C 24.866 0.300 1 584 58 58 LYS N N 131.941 0.300 1 585 59 59 GLY H H 8.943 0.030 1 586 59 59 GLY HA2 H 4.270 0.030 2 587 59 59 GLY HA3 H 3.690 0.030 2 588 59 59 GLY C C 174.857 0.300 1 589 59 59 GLY CA C 45.107 0.300 1 590 59 59 GLY N N 113.739 0.300 1 591 60 60 THR H H 7.635 0.030 1 592 60 60 THR HA H 4.604 0.030 1 593 60 60 THR HB H 4.352 0.030 1 594 60 60 THR HG2 H 1.065 0.030 1 595 60 60 THR C C 173.856 0.300 1 596 60 60 THR CA C 61.556 0.300 1 597 60 60 THR CB C 71.330 0.300 1 598 60 60 THR CG2 C 21.310 0.300 1 599 60 60 THR N N 109.804 0.300 1 600 61 61 ASP H H 8.166 0.030 1 601 61 61 ASP HA H 4.643 0.030 1 602 61 61 ASP HB2 H 2.729 0.030 2 603 61 61 ASP HB3 H 2.691 0.030 2 604 61 61 ASP C C 175.626 0.300 1 605 61 61 ASP CA C 54.366 0.300 1 606 61 61 ASP CB C 41.013 0.300 1 607 61 61 ASP N N 116.421 0.300 1 608 62 62 LYS H H 7.272 0.030 1 609 62 62 LYS HA H 4.543 0.030 1 610 62 62 LYS HB2 H 1.763 0.030 2 611 62 62 LYS HB3 H 1.671 0.030 2 612 62 62 LYS HD2 H 1.667 0.030 2 613 62 62 LYS HE2 H 2.975 0.030 2 614 62 62 LYS HG2 H 1.376 0.030 2 615 62 62 LYS HG3 H 1.305 0.030 2 616 62 62 LYS C C 174.321 0.300 1 617 62 62 LYS CA C 54.968 0.300 1 618 62 62 LYS CB C 33.676 0.300 1 619 62 62 LYS CD C 29.030 0.300 1 620 62 62 LYS CE C 42.217 0.300 1 621 62 62 LYS CG C 24.462 0.300 1 622 62 62 LYS N N 119.406 0.300 1 623 63 63 GLU H H 8.645 0.030 1 624 63 63 GLU HA H 4.516 0.030 1 625 63 63 GLU HB2 H 2.054 0.030 2 626 63 63 GLU HB3 H 1.861 0.030 2 627 63 63 GLU HG2 H 2.266 0.030 2 628 63 63 GLU HG3 H 2.118 0.030 2 629 63 63 GLU C C 176.029 0.300 1 630 63 63 GLU CA C 55.789 0.300 1 631 63 63 GLU CB C 32.035 0.300 1 632 63 63 GLU CG C 38.578 0.300 1 633 63 63 GLU N N 126.072 0.300 1 634 64 64 GLN H H 8.562 0.030 1 635 64 64 GLN HA H 4.537 0.030 1 636 64 64 GLN HB2 H 1.705 0.030 2 637 64 64 GLN HB3 H 0.849 0.030 2 638 64 64 GLN HE21 H 7.354 0.030 2 639 64 64 GLN HE22 H 6.911 0.030 2 640 64 64 GLN HG2 H 2.116 0.030 2 641 64 64 GLN HG3 H 2.052 0.030 2 642 64 64 GLN C C 173.421 0.300 1 643 64 64 GLN CA C 54.615 0.300 1 644 64 64 GLN CB C 31.552 0.300 1 645 64 64 GLN CG C 34.752 0.300 1 646 64 64 GLN N N 125.217 0.300 1 647 64 64 GLN NE2 N 111.905 0.300 1 648 65 65 ASP H H 8.146 0.030 1 649 65 65 ASP HA H 5.769 0.030 1 650 65 65 ASP HB2 H 2.155 0.030 2 651 65 65 ASP HB3 H 1.510 0.030 2 652 65 65 ASP C C 174.927 0.300 1 653 65 65 ASP CA C 52.801 0.300 1 654 65 65 ASP CB C 45.121 0.300 1 655 65 65 ASP N N 115.339 0.300 1 656 66 66 VAL H H 8.686 0.030 1 657 66 66 VAL HA H 4.320 0.030 1 658 66 66 VAL HB H 1.868 0.030 1 659 66 66 VAL HG1 H 0.721 0.030 1 660 66 66 VAL HG2 H 0.681 0.030 1 661 66 66 VAL C C 173.128 0.300 1 662 66 66 VAL CA C 60.353 0.300 1 663 66 66 VAL CB C 35.692 0.300 1 664 66 66 VAL CG1 C 20.243 0.300 2 665 66 66 VAL CG2 C 20.544 0.300 2 666 66 66 VAL N N 118.117 0.300 1 667 67 67 ASP H H 8.052 0.030 1 668 67 67 ASP HA H 5.322 0.030 1 669 67 67 ASP HB2 H 2.650 0.030 2 670 67 67 ASP HB3 H 2.398 0.030 2 671 67 67 ASP C C 175.818 0.300 1 672 67 67 ASP CA C 54.335 0.300 1 673 67 67 ASP CB C 41.781 0.300 1 674 67 67 ASP N N 124.993 0.300 1 675 68 68 VAL H H 9.383 0.030 1 676 68 68 VAL HA H 4.445 0.030 1 677 68 68 VAL HB H 2.231 0.030 1 678 68 68 VAL HG1 H 1.144 0.030 1 679 68 68 VAL HG2 H 0.804 0.030 1 680 68 68 VAL C C 175.049 0.300 1 681 68 68 VAL CA C 61.604 0.300 1 682 68 68 VAL CB C 35.956 0.300 1 683 68 68 VAL CG1 C 22.274 0.300 2 684 68 68 VAL CG2 C 21.601 0.300 2 685 68 68 VAL N N 123.636 0.300 1 686 69 69 SER H H 8.883 0.030 1 687 69 69 SER HA H 4.950 0.030 1 688 69 69 SER HB2 H 4.046 0.030 1 689 69 69 SER HB3 H 4.046 0.030 1 690 69 69 SER C C 174.517 0.300 1 691 69 69 SER CA C 58.328 0.300 1 692 69 69 SER CB C 63.779 0.300 1 693 69 69 SER N N 120.672 0.300 1 694 70 70 SER H H 7.416 0.030 1 695 70 70 SER HA H 4.607 0.030 1 696 70 70 SER HB2 H 4.156 0.030 2 697 70 70 SER HB3 H 3.942 0.030 2 698 70 70 SER C C 170.267 0.300 1 699 70 70 SER CA C 56.936 0.300 1 700 70 70 SER CB C 63.613 0.300 1 701 70 70 SER N N 116.836 0.300 1 702 71 71 HIS H H 7.477 0.030 1 703 71 71 HIS HA H 3.473 0.030 1 704 71 71 HIS HB2 H 2.298 0.030 2 705 71 71 HIS HB3 H 3.431 0.030 2 706 71 71 HIS HD2 H 6.515 0.030 1 707 71 71 HIS HE1 H 8.126 0.030 1 708 71 71 HIS C C 172.400 0.300 1 709 71 71 HIS CA C 55.413 0.300 1 710 71 71 HIS CB C 28.574 0.300 1 711 71 71 HIS CD2 C 120.493 0.300 1 712 71 71 HIS CE1 C 137.772 0.300 1 713 71 71 HIS N N 112.253 0.300 1 714 72 72 SER H H 6.803 0.030 1 715 72 72 SER HA H 4.749 0.030 1 716 72 72 SER HB2 H 3.454 0.030 2 717 72 72 SER HB3 H 3.400 0.030 2 718 72 72 SER C C 172.866 0.300 1 719 72 72 SER CA C 56.039 0.300 1 720 72 72 SER CB C 65.672 0.300 1 721 72 72 SER N N 108.739 0.300 1 722 73 73 TYR H H 8.989 0.030 1 723 73 73 TYR HA H 4.390 0.030 1 724 73 73 TYR HB2 H 3.162 0.030 2 725 73 73 TYR HB3 H 2.530 0.030 2 726 73 73 TYR HD1 H 6.950 0.030 1 727 73 73 TYR HD2 H 6.950 0.030 1 728 73 73 TYR HE1 H 6.784 0.030 1 729 73 73 TYR HE2 H 6.784 0.030 1 730 73 73 TYR C C 173.260 0.300 1 731 73 73 TYR CA C 59.414 0.300 1 732 73 73 TYR CB C 43.719 0.300 1 733 73 73 TYR CD1 C 133.147 0.300 1 734 73 73 TYR CD2 C 133.147 0.300 1 735 73 73 TYR CE1 C 118.411 0.300 1 736 73 73 TYR CE2 C 118.411 0.300 1 737 73 73 TYR N N 123.383 0.300 1 738 74 74 THR H H 7.355 0.030 1 739 74 74 THR HA H 4.938 0.030 1 740 74 74 THR HB H 3.509 0.030 1 741 74 74 THR HG2 H 0.752 0.030 1 742 74 74 THR C C 171.743 0.300 1 743 74 74 THR CA C 61.645 0.300 1 744 74 74 THR CB C 70.179 0.300 1 745 74 74 THR CG2 C 20.648 0.300 1 746 74 74 THR N N 123.554 0.300 1 747 75 75 ILE H H 8.833 0.030 1 748 75 75 ILE HA H 4.024 0.030 1 749 75 75 ILE HB H 1.460 0.030 1 750 75 75 ILE HD1 H 0.526 0.030 1 751 75 75 ILE HG12 H 1.367 0.030 2 752 75 75 ILE HG13 H 0.880 0.030 2 753 75 75 ILE HG2 H 0.589 0.030 1 754 75 75 ILE C C 173.836 0.300 1 755 75 75 ILE CA C 60.028 0.300 1 756 75 75 ILE CB C 39.420 0.300 1 757 75 75 ILE CD1 C 14.929 0.300 1 758 75 75 ILE CG1 C 28.424 0.300 1 759 75 75 ILE CG2 C 18.766 0.300 1 760 75 75 ILE N N 127.942 0.300 1 761 76 76 ASN H H 8.145 0.030 1 762 76 76 ASN HA H 5.192 0.030 1 763 76 76 ASN HB2 H 2.707 0.030 2 764 76 76 ASN HB3 H 2.579 0.030 2 765 76 76 ASN HD21 H 7.377 0.030 2 766 76 76 ASN HD22 H 6.776 0.030 2 767 76 76 ASN C C 175.099 0.300 1 768 76 76 ASN CA C 51.622 0.300 1 769 76 76 ASN CB C 41.922 0.300 1 770 76 76 ASN N N 124.312 0.300 1 771 76 76 ASN ND2 N 113.775 0.300 1 772 77 77 GLY H H 8.694 0.030 1 773 77 77 GLY HA2 H 3.937 0.030 2 774 77 77 GLY HA3 H 3.841 0.030 2 775 77 77 GLY C C 175.261 0.300 1 776 77 77 GLY CA C 46.353 0.300 1 777 77 77 GLY N N 106.232 0.300 1 778 78 78 LEU H H 8.481 0.030 1 779 78 78 LEU HA H 4.269 0.030 1 780 78 78 LEU HB2 H 1.343 0.030 2 781 78 78 LEU HB3 H 1.062 0.030 2 782 78 78 LEU HD1 H -0.001 0.030 1 783 78 78 LEU HD2 H 0.246 0.030 1 784 78 78 LEU HG H 1.085 0.030 1 785 78 78 LEU C C 175.706 0.300 1 786 78 78 LEU CA C 53.413 0.300 1 787 78 78 LEU CB C 41.163 0.300 1 788 78 78 LEU CD1 C 25.187 0.300 2 789 78 78 LEU CD2 C 19.573 0.300 2 790 78 78 LEU CG C 25.874 0.300 1 791 78 78 LEU N N 119.431 0.300 1 792 79 79 LYS H H 8.086 0.030 1 793 79 79 LYS HA H 4.263 0.030 1 794 79 79 LYS HB2 H 1.886 0.030 2 795 79 79 LYS HB3 H 1.753 0.030 2 796 79 79 LYS HE2 H 3.017 0.030 2 797 79 79 LYS HG2 H 1.471 0.030 2 798 79 79 LYS HG3 H 1.627 0.030 2 799 79 79 LYS C C 176.727 0.300 1 800 79 79 LYS CA C 56.347 0.300 1 801 79 79 LYS CB C 34.633 0.300 1 802 79 79 LYS CD C 30.063 0.300 1 803 79 79 LYS CE C 42.286 0.300 1 804 79 79 LYS CG C 26.011 0.300 1 805 79 79 LYS N N 118.590 0.300 1 806 80 80 LYS H H 8.187 0.030 1 807 80 80 LYS HA H 5.164 0.030 1 808 80 80 LYS HB2 H 1.791 0.030 1 809 80 80 LYS HB3 H 1.791 0.030 1 810 80 80 LYS HD2 H 1.694 0.030 1 811 80 80 LYS HD3 H 1.694 0.030 1 812 80 80 LYS HE2 H 2.984 0.030 2 813 80 80 LYS HG2 H 1.545 0.030 2 814 80 80 LYS HG3 H 1.393 0.030 2 815 80 80 LYS C C 177.668 0.300 1 816 80 80 LYS CA C 56.606 0.300 1 817 80 80 LYS CB C 33.373 0.300 1 818 80 80 LYS CD C 29.978 0.300 1 819 80 80 LYS CE C 42.080 0.300 1 820 80 80 LYS CG C 25.309 0.300 1 821 80 80 LYS N N 119.973 0.300 1 822 81 81 TYR H H 8.101 0.030 1 823 81 81 TYR HA H 4.224 0.030 1 824 81 81 TYR HB2 H 3.418 0.030 2 825 81 81 TYR HB3 H 2.509 0.030 2 826 81 81 TYR HD1 H 7.248 0.030 1 827 81 81 TYR HD2 H 7.248 0.030 1 828 81 81 TYR HE1 H 6.854 0.030 1 829 81 81 TYR HE2 H 6.854 0.030 1 830 81 81 TYR C C 174.938 0.300 1 831 81 81 TYR CA C 57.997 0.300 1 832 81 81 TYR CB C 38.957 0.300 1 833 81 81 TYR CD1 C 133.481 0.300 1 834 81 81 TYR CD2 C 133.481 0.300 1 835 81 81 TYR CE1 C 118.094 0.300 1 836 81 81 TYR CE2 C 118.094 0.300 1 837 81 81 TYR N N 131.946 0.300 1 838 82 82 THR H H 8.525 0.030 1 839 82 82 THR HA H 4.434 0.030 1 840 82 82 THR HB H 3.838 0.030 1 841 82 82 THR HG2 H 0.901 0.030 1 842 82 82 THR C C 171.804 0.300 1 843 82 82 THR CA C 62.901 0.300 1 844 82 82 THR CB C 71.948 0.300 1 845 82 82 THR CG2 C 20.380 0.300 1 846 82 82 THR N N 117.209 0.300 1 847 83 83 GLU H H 8.826 0.030 1 848 83 83 GLU HA H 4.620 0.030 1 849 83 83 GLU HB2 H 1.868 0.030 2 850 83 83 GLU HB3 H 1.716 0.030 2 851 83 83 GLU HG2 H 1.993 0.030 2 852 83 83 GLU HG3 H 1.876 0.030 2 853 83 83 GLU C C 174.068 0.300 1 854 83 83 GLU CA C 56.513 0.300 1 855 83 83 GLU CB C 31.660 0.300 1 856 83 83 GLU CG C 37.742 0.300 1 857 83 83 GLU N N 127.841 0.300 1 858 84 84 TYR H H 8.914 0.030 1 859 84 84 TYR HA H 4.997 0.030 1 860 84 84 TYR HB2 H 2.673 0.030 2 861 84 84 TYR HB3 H 2.421 0.030 2 862 84 84 TYR HD1 H 6.999 0.030 1 863 84 84 TYR HD2 H 6.999 0.030 1 864 84 84 TYR HE1 H 6.875 0.030 1 865 84 84 TYR HE2 H 6.875 0.030 1 866 84 84 TYR C C 173.644 0.300 1 867 84 84 TYR CA C 57.198 0.300 1 868 84 84 TYR CB C 44.644 0.300 1 869 84 84 TYR CE1 C 118.443 0.300 1 870 84 84 TYR CE2 C 118.443 0.300 1 871 84 84 TYR N N 124.748 0.300 1 872 85 85 SER H H 8.754 0.030 1 873 85 85 SER HA H 5.410 0.030 1 874 85 85 SER HB2 H 3.557 0.030 2 875 85 85 SER HB3 H 3.458 0.030 2 876 85 85 SER C C 173.088 0.300 1 877 85 85 SER CA C 56.530 0.300 1 878 85 85 SER CB C 65.838 0.300 1 879 85 85 SER N N 113.600 0.300 1 880 86 86 PHE H H 9.023 0.030 1 881 86 86 PHE HA H 5.710 0.030 1 882 86 86 PHE HB2 H 2.984 0.030 2 883 86 86 PHE HB3 H 2.790 0.030 2 884 86 86 PHE HD1 H 7.245 0.030 1 885 86 86 PHE HD2 H 7.245 0.030 1 886 86 86 PHE HE1 H 6.953 0.030 1 887 86 86 PHE HE2 H 6.953 0.030 1 888 86 86 PHE HZ H 6.675 0.030 1 889 86 86 PHE C C 174.291 0.300 1 890 86 86 PHE CA C 57.078 0.300 1 891 86 86 PHE CB C 43.851 0.300 1 892 86 86 PHE CD1 C 132.465 0.300 1 893 86 86 PHE CD2 C 132.465 0.300 1 894 86 86 PHE CE1 C 130.751 0.300 1 895 86 86 PHE CE2 C 130.751 0.300 1 896 86 86 PHE CZ C 128.262 0.300 1 897 86 86 PHE N N 120.727 0.300 1 898 87 87 ARG H H 8.729 0.030 1 899 87 87 ARG HA H 4.526 0.030 1 900 87 87 ARG HB2 H 1.773 0.030 2 901 87 87 ARG HB3 H 1.545 0.030 2 902 87 87 ARG HD2 H 2.967 0.030 2 903 87 87 ARG HD3 H 2.916 0.030 2 904 87 87 ARG HE H 8.305 0.030 1 905 87 87 ARG HG2 H 1.214 0.030 2 906 87 87 ARG HG3 H 1.642 0.030 2 907 87 87 ARG C C 172.946 0.300 1 908 87 87 ARG CA C 55.431 0.300 1 909 87 87 ARG CB C 31.785 0.300 1 910 87 87 ARG CD C 42.799 0.300 1 911 87 87 ARG CG C 27.385 0.300 1 912 87 87 ARG N N 113.861 0.300 1 913 87 87 ARG NE N 86.604 0.300 1 914 88 88 VAL H H 8.403 0.030 1 915 88 88 VAL HA H 5.254 0.030 1 916 88 88 VAL HB H 1.340 0.030 1 917 88 88 VAL HG1 H 0.089 0.030 1 918 88 88 VAL HG2 H 0.009 0.030 1 919 88 88 VAL C C 175.686 0.300 1 920 88 88 VAL CA C 60.924 0.300 1 921 88 88 VAL CB C 36.481 0.300 1 922 88 88 VAL CG1 C 21.057 0.300 2 923 88 88 VAL CG2 C 23.080 0.300 2 924 88 88 VAL N N 119.481 0.300 1 925 89 89 VAL H H 9.125 0.030 1 926 89 89 VAL HA H 3.982 0.030 1 927 89 89 VAL HB H 2.145 0.030 1 928 89 89 VAL HG1 H 0.792 0.030 1 929 89 89 VAL HG2 H 1.005 0.030 1 930 89 89 VAL C C 173.522 0.300 1 931 89 89 VAL CA C 62.611 0.300 1 932 89 89 VAL CB C 36.268 0.300 1 933 89 89 VAL CG1 C 22.153 0.300 2 934 89 89 VAL CG2 C 21.934 0.300 2 935 89 89 VAL N N 129.313 0.300 1 936 90 90 ALA H H 8.695 0.030 1 937 90 90 ALA HA H 5.032 0.030 1 938 90 90 ALA HB H 1.470 0.030 1 939 90 90 ALA C C 175.181 0.300 1 940 90 90 ALA CA C 50.903 0.300 1 941 90 90 ALA CB C 22.335 0.300 1 942 90 90 ALA N N 129.625 0.300 1 943 91 91 TYR H H 8.679 0.030 1 944 91 91 TYR HA H 5.093 0.030 1 945 91 91 TYR HB2 H 2.895 0.030 2 946 91 91 TYR HB3 H 2.677 0.030 2 947 91 91 TYR HD1 H 7.042 0.030 1 948 91 91 TYR HD2 H 7.042 0.030 1 949 91 91 TYR HE1 H 6.706 0.030 1 950 91 91 TYR HE2 H 6.706 0.030 1 951 91 91 TYR C C 177.020 0.300 1 952 91 91 TYR CA C 56.831 0.300 1 953 91 91 TYR CB C 40.744 0.300 1 954 91 91 TYR CD1 C 132.473 0.300 1 955 91 91 TYR CD2 C 132.473 0.300 1 956 91 91 TYR CE1 C 118.601 0.300 1 957 91 91 TYR CE2 C 118.601 0.300 1 958 91 91 TYR N N 118.693 0.300 1 959 92 92 ASN H H 8.235 0.030 1 960 92 92 ASN HA H 4.967 0.030 1 961 92 92 ASN HB2 H 3.477 0.030 2 962 92 92 ASN HB3 H 2.718 0.030 2 963 92 92 ASN HD21 H 7.957 0.030 2 964 92 92 ASN HD22 H 7.457 0.030 2 965 92 92 ASN C C 176.272 0.300 1 966 92 92 ASN CA C 51.152 0.300 1 967 92 92 ASN CB C 39.994 0.300 1 968 92 92 ASN N N 121.077 0.300 1 969 92 92 ASN ND2 N 110.234 0.300 1 970 93 93 LYS H H 8.836 0.030 1 971 93 93 LYS HA H 4.015 0.030 1 972 93 93 LYS HB2 H 1.670 0.030 2 973 93 93 LYS HB3 H 1.549 0.030 2 974 93 93 LYS HD2 H 1.520 0.030 2 975 93 93 LYS HE2 H 2.837 0.030 1 976 93 93 LYS HE3 H 2.837 0.030 1 977 93 93 LYS HG2 H 1.081 0.030 2 978 93 93 LYS HG3 H 0.660 0.030 2 979 93 93 LYS C C 176.545 0.300 1 980 93 93 LYS CA C 58.844 0.300 1 981 93 93 LYS CB C 31.459 0.300 1 982 93 93 LYS CD C 29.299 0.300 1 983 93 93 LYS CE C 41.943 0.300 1 984 93 93 LYS CG C 23.647 0.300 1 985 93 93 LYS N N 116.924 0.300 1 986 94 94 HIS H H 8.035 0.030 1 987 94 94 HIS HA H 4.566 0.030 1 988 94 94 HIS HB2 H 3.146 0.030 2 989 94 94 HIS HB3 H 3.057 0.030 2 990 94 94 HIS HD2 H 7.028 0.030 1 991 94 94 HIS HE1 H 7.769 0.030 1 992 94 94 HIS C C 175.625 0.300 1 993 94 94 HIS CA C 56.728 0.300 1 994 94 94 HIS CB C 30.882 0.300 1 995 94 94 HIS CD2 C 120.766 0.300 1 996 94 94 HIS CE1 C 138.913 0.300 1 997 94 94 HIS N N 117.690 0.300 1 998 95 95 GLY H H 7.811 0.030 1 999 95 95 GLY HA2 H 3.894 0.030 2 1000 95 95 GLY HA3 H 4.653 0.030 2 1001 95 95 GLY C C 169.347 0.300 1 1002 95 95 GLY CA C 44.667 0.300 1 1003 95 95 GLY N N 108.630 0.300 1 1004 96 96 PRO HA H 3.912 0.030 1 1005 96 96 PRO HB2 H 1.584 0.030 2 1006 96 96 PRO HB3 H 1.081 0.030 2 1007 96 96 PRO HD2 H 3.738 0.030 2 1008 96 96 PRO HD3 H 3.499 0.030 2 1009 96 96 PRO HG2 H 2.052 0.030 2 1010 96 96 PRO HG3 H 1.910 0.030 2 1011 96 96 PRO C C 177.940 0.300 1 1012 96 96 PRO CA C 61.398 0.300 1 1013 96 96 PRO CB C 32.009 0.300 1 1014 96 96 PRO CD C 49.703 0.300 1 1015 96 96 PRO CG C 25.886 0.300 1 1016 97 97 GLY H H 8.369 0.030 1 1017 97 97 GLY HA2 H 4.268 0.030 2 1018 97 97 GLY HA3 H 4.051 0.030 2 1019 97 97 GLY C C 172.653 0.300 1 1020 97 97 GLY CA C 43.698 0.300 1 1021 97 97 GLY N N 107.805 0.300 1 1022 98 98 VAL H H 7.270 0.030 1 1023 98 98 VAL HA H 3.866 0.030 1 1024 98 98 VAL HB H 1.798 0.030 1 1025 98 98 VAL HG1 H 1.014 0.030 1 1026 98 98 VAL C C 176.808 0.300 1 1027 98 98 VAL CA C 61.850 0.300 1 1028 98 98 VAL CB C 33.166 0.300 1 1029 98 98 VAL CG1 C 20.955 0.300 2 1030 98 98 VAL N N 115.765 0.300 1 1031 99 99 SER H H 8.526 0.030 1 1032 99 99 SER HA H 4.622 0.030 1 1033 99 99 SER HB2 H 3.627 0.030 2 1034 99 99 SER HB3 H 3.481 0.030 2 1035 99 99 SER C C 177.192 0.300 1 1036 99 99 SER CA C 58.431 0.300 1 1037 99 99 SER CB C 63.592 0.300 1 1038 99 99 SER N N 117.419 0.300 1 1039 100 100 THR H H 8.290 0.030 1 1040 100 100 THR HA H 4.528 0.030 1 1041 100 100 THR HB H 4.810 0.030 1 1042 100 100 THR HG2 H 1.772 0.030 1 1043 100 100 THR C C 174.281 0.300 1 1044 100 100 THR CA C 62.934 0.300 1 1045 100 100 THR CB C 68.915 0.300 1 1046 100 100 THR CG2 C 23.326 0.300 1 1047 100 100 THR N N 116.221 0.300 1 1048 101 101 PRO HA H 4.642 0.030 1 1049 101 101 PRO HB2 H 2.502 0.030 2 1050 101 101 PRO HB3 H 1.943 0.030 2 1051 101 101 PRO HD2 H 3.875 0.030 2 1052 101 101 PRO HD3 H 3.802 0.030 2 1053 101 101 PRO HG2 H 2.060 0.030 2 1054 101 101 PRO C C 175.089 0.300 1 1055 101 101 PRO CA C 63.185 0.300 1 1056 101 101 PRO CB C 32.305 0.300 1 1057 101 101 PRO CD C 50.770 0.300 1 1058 101 101 PRO CG C 27.612 0.300 1 1059 102 102 ASP H H 8.221 0.030 1 1060 102 102 ASP HA H 5.203 0.030 1 1061 102 102 ASP HB2 H 2.417 0.030 1 1062 102 102 ASP HB3 H 2.417 0.030 1 1063 102 102 ASP C C 177.404 0.300 1 1064 102 102 ASP CA C 53.911 0.300 1 1065 102 102 ASP CB C 42.090 0.300 1 1066 102 102 ASP N N 119.734 0.300 1 1067 103 103 VAL H H 9.145 0.030 1 1068 103 103 VAL HA H 4.471 0.030 1 1069 103 103 VAL HB H 1.976 0.030 1 1070 103 103 VAL HG1 H 0.984 0.030 1 1071 103 103 VAL HG2 H 0.984 0.030 1 1072 103 103 VAL C C 173.492 0.300 1 1073 103 103 VAL CA C 61.523 0.300 1 1074 103 103 VAL CB C 35.200 0.300 1 1075 103 103 VAL CG1 C 21.431 0.300 1 1076 103 103 VAL CG2 C 21.431 0.300 1 1077 103 103 VAL N N 121.074 0.300 1 1078 104 104 ALA H H 8.518 0.030 1 1079 104 104 ALA HA H 5.953 0.030 1 1080 104 104 ALA HB H 1.340 0.030 1 1081 104 104 ALA C C 177.708 0.300 1 1082 104 104 ALA CA C 50.577 0.300 1 1083 104 104 ALA CB C 22.285 0.300 1 1084 104 104 ALA N N 127.466 0.300 1 1085 105 105 VAL H H 9.079 0.030 1 1086 105 105 VAL HA H 4.506 0.030 1 1087 105 105 VAL HB H 2.112 0.030 1 1088 105 105 VAL HG1 H 0.879 0.030 1 1089 105 105 VAL HG2 H 1.073 0.030 1 1090 105 105 VAL C C 171.905 0.300 1 1091 105 105 VAL CA C 61.204 0.300 1 1092 105 105 VAL CB C 36.084 0.300 1 1093 105 105 VAL CG1 C 21.736 0.300 2 1094 105 105 VAL CG2 C 22.578 0.300 2 1095 105 105 VAL N N 120.002 0.300 1 1096 106 106 ARG H H 8.223 0.030 1 1097 106 106 ARG HA H 5.308 0.030 1 1098 106 106 ARG HB2 H 1.676 0.030 2 1099 106 106 ARG HB3 H 1.532 0.030 2 1100 106 106 ARG HD2 H 1.912 0.030 2 1101 106 106 ARG HD3 H 2.439 0.030 2 1102 106 106 ARG HG2 H 1.735 0.030 2 1103 106 106 ARG HG3 H 0.983 0.030 2 1104 106 106 ARG C C 177.425 0.300 1 1105 106 106 ARG CA C 54.073 0.300 1 1106 106 106 ARG CB C 33.339 0.300 1 1107 106 106 ARG CD C 43.069 0.300 1 1108 106 106 ARG CG C 27.657 0.300 1 1109 106 106 ARG N N 126.224 0.300 1 1110 107 107 THR H H 8.685 0.030 1 1111 107 107 THR HA H 4.139 0.030 1 1112 107 107 THR HB H 4.829 0.030 1 1113 107 107 THR HG2 H 1.316 0.030 1 1114 107 107 THR C C 174.948 0.300 1 1115 107 107 THR CA C 62.341 0.300 1 1116 107 107 THR CB C 69.615 0.300 1 1117 107 107 THR CG2 C 24.212 0.300 1 1118 107 107 THR N N 114.008 0.300 1 1119 108 108 LEU H H 6.553 0.030 1 1120 108 108 LEU HA H 4.467 0.030 1 1121 108 108 LEU HB2 H 1.876 0.030 2 1122 108 108 LEU HB3 H 1.192 0.030 2 1123 108 108 LEU HD1 H 0.810 0.030 1 1124 108 108 LEU HD2 H 0.954 0.030 1 1125 108 108 LEU HG H 1.424 0.030 1 1126 108 108 LEU C C 176.434 0.300 1 1127 108 108 LEU CA C 55.300 0.300 1 1128 108 108 LEU CB C 42.485 0.300 1 1129 108 108 LEU CD1 C 25.508 0.300 2 1130 108 108 LEU CD2 C 21.975 0.300 2 1131 108 108 LEU CG C 27.188 0.300 1 1132 108 108 LEU N N 115.147 0.300 1 1133 109 109 SER H H 8.230 0.030 1 1134 109 109 SER HA H 4.574 0.030 1 1135 109 109 SER HB2 H 3.686 0.030 2 1136 109 109 SER HB3 H 3.565 0.030 2 1137 109 109 SER C C 174.624 0.300 1 1138 109 109 SER CA C 57.572 0.300 1 1139 109 109 SER CB C 64.317 0.300 1 1140 109 109 SER N N 111.352 0.300 1 1141 110 110 ASP H H 8.420 0.030 1 1142 110 110 ASP HA H 4.713 0.030 1 1143 110 110 ASP HB2 H 2.668 0.030 1 1144 110 110 ASP HB3 H 2.668 0.030 1 1145 110 110 ASP C C 176.181 0.300 1 1146 110 110 ASP CA C 54.205 0.300 1 1147 110 110 ASP CB C 41.900 0.300 1 1148 110 110 ASP N N 120.734 0.300 1 1149 111 111 SER H H 8.337 0.030 1 1150 111 111 SER HA H 4.486 0.030 1 1151 111 111 SER HB2 H 3.845 0.030 2 1152 111 111 SER C C 174.645 0.300 1 1153 111 111 SER CA C 58.436 0.300 1 1154 111 111 SER CB C 63.986 0.300 1 1155 111 111 SER N N 115.888 0.300 1 1156 112 112 GLY H H 8.280 0.030 1 1157 112 112 GLY HA2 H 4.109 0.030 2 1158 112 112 GLY C C 171.875 0.300 1 1159 112 112 GLY CA C 44.712 0.300 1 1160 112 112 GLY N N 110.750 0.300 1 1161 113 113 PRO HA H 4.471 0.030 1 1162 113 113 PRO HB2 H 2.285 0.030 2 1163 113 113 PRO HB3 H 1.976 0.030 2 1164 113 113 PRO HD2 H 3.628 0.030 2 1165 113 113 PRO HG2 H 2.016 0.030 2 1166 113 113 PRO CA C 63.262 0.300 1 1167 113 113 PRO CB C 32.215 0.300 1 1168 113 113 PRO CD C 49.841 0.300 1 1169 113 113 PRO CG C 27.171 0.300 1 stop_ save_