data_11096 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first fibronectin type III domain of human Netrin receptor DCC ; _BMRB_accession_number 11096 _BMRB_flat_file_name bmr11096.str _Entry_type original _Submission_date 2010-02-19 _Accession_date 2010-02-22 _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 Tomizawa T. . . 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" 607 "13C chemical shifts" 468 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-17 original author . stop_ _Original_release_date 2011-02-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first fibronectin type III domain of human Netrin receptor DCC ; _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 Tomizawa T. . . 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 'Netrin receptor DCC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'first fn3 domain, Fibronectin type-III 1' $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 'first fn3 domain, Fibronectin type-III 1' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSSGSSGKPAIPSSSVLPSA PRDVVPVLVSSRFVRLSWRP PAEAKGNIQTFTVFFSREGD NRERALNTTQPGSLQLTVGN LKPEAMYTFRVVAYNEWGPG ESSQPIKVATQPESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 PRO 10 ALA 11 ILE 12 PRO 13 SER 14 SER 15 SER 16 VAL 17 LEU 18 PRO 19 SER 20 ALA 21 PRO 22 ARG 23 ASP 24 VAL 25 VAL 26 PRO 27 VAL 28 LEU 29 VAL 30 SER 31 SER 32 ARG 33 PHE 34 VAL 35 ARG 36 LEU 37 SER 38 TRP 39 ARG 40 PRO 41 PRO 42 ALA 43 GLU 44 ALA 45 LYS 46 GLY 47 ASN 48 ILE 49 GLN 50 THR 51 PHE 52 THR 53 VAL 54 PHE 55 PHE 56 SER 57 ARG 58 GLU 59 GLY 60 ASP 61 ASN 62 ARG 63 GLU 64 ARG 65 ALA 66 LEU 67 ASN 68 THR 69 THR 70 GLN 71 PRO 72 GLY 73 SER 74 LEU 75 GLN 76 LEU 77 THR 78 VAL 79 GLY 80 ASN 81 LEU 82 LYS 83 PRO 84 GLU 85 ALA 86 MET 87 TYR 88 THR 89 PHE 90 ARG 91 VAL 92 VAL 93 ALA 94 TYR 95 ASN 96 GLU 97 TRP 98 GLY 99 PRO 100 GLY 101 GLU 102 SER 103 SER 104 GLN 105 PRO 106 ILE 107 LYS 108 VAL 109 ALA 110 THR 111 GLN 112 PRO 113 GLU 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 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 2ED7 "Solution Structure Of The First Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" 100.00 119 100.00 100.00 3.09e-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 . P050905-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.3mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' d-DTT 1 mM [U-2H] 'sodium azide' 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_NMNMRView _Saveframe_category software _Name NMNMRView _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 0.955 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 $NMNMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'first fn3 domain, Fibronectin type-III 1' _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 9 9 PRO HA H 4.356 0.030 1 2 9 9 PRO HB2 H 2.248 0.030 2 3 9 9 PRO HB3 H 1.834 0.030 2 4 9 9 PRO HD2 H 3.780 0.030 2 5 9 9 PRO HD3 H 3.594 0.030 2 6 9 9 PRO C C 176.444 0.300 1 7 9 9 PRO CA C 62.972 0.300 1 8 9 9 PRO CB C 32.154 0.300 1 9 9 9 PRO CD C 50.618 0.300 1 10 9 9 PRO CG C 27.351 0.300 1 11 10 10 ALA H H 8.422 0.030 1 12 10 10 ALA HA H 4.249 0.030 1 13 10 10 ALA HB H 1.302 0.030 1 14 10 10 ALA C C 177.475 0.300 1 15 10 10 ALA CA C 52.209 0.300 1 16 10 10 ALA CB C 19.070 0.300 1 17 10 10 ALA N N 124.857 0.300 1 18 11 11 ILE H H 8.143 0.030 1 19 11 11 ILE HA H 4.410 0.030 1 20 11 11 ILE HB H 1.783 0.030 1 21 11 11 ILE HD1 H 0.805 0.030 1 22 11 11 ILE HG12 H 1.439 0.030 2 23 11 11 ILE HG13 H 1.120 0.030 2 24 11 11 ILE HG2 H 0.879 0.030 1 25 11 11 ILE C C 174.741 0.300 1 26 11 11 ILE CA C 58.463 0.300 1 27 11 11 ILE CB C 38.660 0.300 1 28 11 11 ILE CD1 C 12.760 0.300 1 29 11 11 ILE CG1 C 26.867 0.300 1 30 11 11 ILE CG2 C 17.156 0.300 1 31 11 11 ILE N N 121.722 0.300 1 32 12 12 PRO HA H 4.323 0.030 1 33 12 12 PRO HB2 H 2.199 0.030 1 34 12 12 PRO HB3 H 2.199 0.030 1 35 12 12 PRO HD2 H 3.594 0.030 2 36 12 12 PRO HD3 H 3.823 0.030 2 37 12 12 PRO HG2 H 1.969 0.030 1 38 12 12 PRO HG3 H 1.969 0.030 1 39 12 12 PRO CA C 63.152 0.300 1 40 12 12 PRO CB C 32.042 0.300 1 41 12 12 PRO CD C 51.023 0.300 1 42 12 12 PRO CG C 27.422 0.300 1 43 15 15 SER HA H 4.193 0.030 1 44 15 15 SER HB2 H 3.682 0.030 2 45 15 15 SER HB3 H 3.760 0.030 2 46 15 15 SER C C 175.062 0.300 1 47 15 15 SER CA C 58.972 0.300 1 48 15 15 SER CB C 63.398 0.300 1 49 16 16 VAL H H 7.487 0.030 1 50 16 16 VAL HA H 4.231 0.030 1 51 16 16 VAL HB H 1.844 0.030 1 52 16 16 VAL HG1 H 0.433 0.030 1 53 16 16 VAL HG2 H 0.363 0.030 1 54 16 16 VAL C C 174.478 0.300 1 55 16 16 VAL CA C 61.160 0.300 1 56 16 16 VAL CB C 31.661 0.300 1 57 16 16 VAL CG1 C 21.019 0.300 2 58 16 16 VAL CG2 C 18.381 0.300 2 59 16 16 VAL N N 115.534 0.300 1 60 17 17 LEU H H 7.349 0.030 1 61 17 17 LEU HA H 4.650 0.030 1 62 17 17 LEU HB2 H 1.536 0.030 2 63 17 17 LEU HB3 H 1.279 0.030 2 64 17 17 LEU HD1 H 0.631 0.030 1 65 17 17 LEU HD2 H 0.854 0.030 1 66 17 17 LEU HG H 1.574 0.030 1 67 17 17 LEU C C 174.298 0.300 1 68 17 17 LEU CA C 52.473 0.300 1 69 17 17 LEU CB C 40.993 0.300 1 70 17 17 LEU CD1 C 21.731 0.300 2 71 17 17 LEU CD2 C 24.988 0.300 2 72 17 17 LEU CG C 26.650 0.300 1 73 17 17 LEU N N 122.393 0.300 1 74 18 18 PRO HA H 4.525 0.030 1 75 18 18 PRO HB2 H 2.321 0.030 2 76 18 18 PRO HB3 H 2.047 0.030 2 77 18 18 PRO HD2 H 3.195 0.030 2 78 18 18 PRO HD3 H 3.779 0.030 2 79 18 18 PRO HG2 H 1.796 0.030 2 80 18 18 PRO C C 177.149 0.300 1 81 18 18 PRO CA C 63.267 0.300 1 82 18 18 PRO CB C 33.217 0.300 1 83 18 18 PRO CD C 49.903 0.300 1 84 18 18 PRO CG C 27.695 0.300 1 85 19 19 SER H H 8.364 0.030 1 86 19 19 SER HA H 4.533 0.030 1 87 19 19 SER HB2 H 3.973 0.030 2 88 19 19 SER HB3 H 4.452 0.030 2 89 19 19 SER C C 173.096 0.300 1 90 19 19 SER CA C 58.487 0.300 1 91 19 19 SER CB C 63.550 0.300 1 92 19 19 SER N N 116.256 0.300 1 93 20 20 ALA H H 8.390 0.030 1 94 20 20 ALA HA H 4.720 0.030 1 95 20 20 ALA HB H 1.095 0.030 1 96 20 20 ALA C C 177.044 0.300 1 97 20 20 ALA CA C 51.145 0.300 1 98 20 20 ALA CB C 18.551 0.300 1 99 20 20 ALA N N 121.045 0.300 1 100 21 21 PRO HA H 4.244 0.030 1 101 21 21 PRO HB2 H 2.200 0.030 2 102 21 21 PRO HB3 H 1.303 0.030 2 103 21 21 PRO HD2 H 3.553 0.030 1 104 21 21 PRO HD3 H 3.553 0.030 1 105 21 21 PRO HG2 H 1.700 0.030 2 106 21 21 PRO C C 174.547 0.300 1 107 21 21 PRO CA C 63.394 0.300 1 108 21 21 PRO CB C 31.740 0.300 1 109 21 21 PRO CD C 50.623 0.300 1 110 21 21 PRO CG C 29.347 0.300 1 111 22 22 ARG H H 7.736 0.030 1 112 22 22 ARG HA H 4.561 0.030 1 113 22 22 ARG HB2 H 1.792 0.030 2 114 22 22 ARG HB3 H 1.442 0.030 2 115 22 22 ARG HD2 H 3.219 0.030 1 116 22 22 ARG HD3 H 3.219 0.030 1 117 22 22 ARG HG2 H 1.647 0.030 2 118 22 22 ARG HG3 H 1.828 0.030 2 119 22 22 ARG C C 174.711 0.300 1 120 22 22 ARG CA C 54.784 0.300 1 121 22 22 ARG CB C 34.882 0.300 1 122 22 22 ARG CD C 43.645 0.300 1 123 22 22 ARG CG C 27.489 0.300 1 124 22 22 ARG N N 119.165 0.300 1 125 23 23 ASP H H 8.835 0.030 1 126 23 23 ASP HA H 4.122 0.030 1 127 23 23 ASP HB2 H 2.690 0.030 2 128 23 23 ASP HB3 H 2.503 0.030 2 129 23 23 ASP C C 173.639 0.300 1 130 23 23 ASP CA C 55.046 0.300 1 131 23 23 ASP CB C 39.631 0.300 1 132 23 23 ASP N N 118.141 0.300 1 133 24 24 VAL H H 7.822 0.030 1 134 24 24 VAL HA H 4.650 0.030 1 135 24 24 VAL HB H 2.116 0.030 1 136 24 24 VAL HG1 H 0.850 0.030 1 137 24 24 VAL HG2 H 0.895 0.030 1 138 24 24 VAL C C 177.103 0.300 1 139 24 24 VAL CA C 63.081 0.300 1 140 24 24 VAL CB C 31.009 0.300 1 141 24 24 VAL CG1 C 21.914 0.300 2 142 24 24 VAL CG2 C 20.312 0.300 2 143 24 24 VAL N N 118.410 0.300 1 144 25 25 VAL H H 9.153 0.030 1 145 25 25 VAL HA H 4.848 0.030 1 146 25 25 VAL HB H 1.929 0.030 1 147 25 25 VAL HG1 H 0.779 0.030 1 148 25 25 VAL HG2 H 0.777 0.030 1 149 25 25 VAL C C 173.310 0.300 1 150 25 25 VAL CA C 58.011 0.300 1 151 25 25 VAL CB C 36.005 0.300 1 152 25 25 VAL CG1 C 21.212 0.300 2 153 25 25 VAL CG2 C 19.460 0.300 2 154 25 25 VAL N N 124.314 0.300 1 155 26 26 PRO HA H 4.867 0.030 1 156 26 26 PRO HB2 H 1.759 0.030 2 157 26 26 PRO HB3 H 1.504 0.030 2 158 26 26 PRO HD2 H 3.532 0.030 2 159 26 26 PRO HD3 H 3.718 0.030 2 160 26 26 PRO HG2 H 2.275 0.030 2 161 26 26 PRO HG3 H 1.844 0.030 2 162 26 26 PRO C C 176.216 0.300 1 163 26 26 PRO CA C 61.031 0.300 1 164 26 26 PRO CB C 30.499 0.300 1 165 26 26 PRO CD C 50.310 0.300 1 166 26 26 PRO CG C 27.211 0.300 1 167 27 27 VAL H H 8.716 0.030 1 168 27 27 VAL HA H 4.124 0.030 1 169 27 27 VAL HB H 1.921 0.030 1 170 27 27 VAL HG1 H 0.806 0.030 1 171 27 27 VAL HG2 H 0.641 0.030 1 172 27 27 VAL C C 176.003 0.300 1 173 27 27 VAL CA C 62.304 0.300 1 174 27 27 VAL CB C 32.714 0.300 1 175 27 27 VAL CG1 C 22.046 0.300 2 176 27 27 VAL CG2 C 19.804 0.300 2 177 27 27 VAL N N 121.355 0.300 1 178 28 28 LEU H H 7.292 0.030 1 179 28 28 LEU HA H 4.521 0.030 1 180 28 28 LEU HB2 H 1.561 0.030 1 181 28 28 LEU HB3 H 1.561 0.030 1 182 28 28 LEU HD1 H 0.924 0.030 1 183 28 28 LEU HD2 H 0.927 0.030 1 184 28 28 LEU HG H 1.461 0.030 1 185 28 28 LEU C C 174.273 0.300 1 186 28 28 LEU CA C 55.721 0.300 1 187 28 28 LEU CB C 45.784 0.300 1 188 28 28 LEU CD1 C 24.995 0.300 2 189 28 28 LEU CD2 C 23.989 0.300 2 190 28 28 LEU CG C 27.674 0.300 1 191 28 28 LEU N N 120.540 0.300 1 192 29 29 VAL H H 8.728 0.030 1 193 29 29 VAL HA H 4.087 0.030 1 194 29 29 VAL HB H 1.922 0.030 1 195 29 29 VAL HG1 H 1.055 0.030 1 196 29 29 VAL HG2 H 0.850 0.030 1 197 29 29 VAL C C 173.957 0.300 1 198 29 29 VAL CA C 62.479 0.300 1 199 29 29 VAL CB C 34.007 0.300 1 200 29 29 VAL CG1 C 22.239 0.300 2 201 29 29 VAL CG2 C 21.799 0.300 2 202 29 29 VAL N N 126.408 0.300 1 203 30 30 SER H H 7.677 0.030 1 204 30 30 SER HA H 4.586 0.030 1 205 30 30 SER HB2 H 2.802 0.030 2 206 30 30 SER HB3 H 2.227 0.030 2 207 30 30 SER C C 174.608 0.300 1 208 30 30 SER CA C 54.168 0.300 1 209 30 30 SER CB C 63.376 0.300 1 210 30 30 SER N N 122.086 0.300 1 211 31 31 SER H H 8.364 0.030 1 212 31 31 SER HA H 4.933 0.030 1 213 31 31 SER HB2 H 3.678 0.030 2 214 31 31 SER HB3 H 3.601 0.030 2 215 31 31 SER C C 174.624 0.300 1 216 31 31 SER CA C 59.481 0.300 1 217 31 31 SER CB C 63.696 0.300 1 218 31 31 SER N N 116.003 0.300 1 219 32 32 ARG H H 7.347 0.030 1 220 32 32 ARG HA H 4.650 0.030 1 221 32 32 ARG HB2 H 2.210 0.030 2 222 32 32 ARG HB3 H 1.548 0.030 2 223 32 32 ARG HD2 H 3.295 0.030 2 224 32 32 ARG HD3 H 3.104 0.030 2 225 32 32 ARG HG2 H 1.593 0.030 2 226 32 32 ARG HG3 H 1.533 0.030 2 227 32 32 ARG C C 176.386 0.300 1 228 32 32 ARG CA C 54.243 0.300 1 229 32 32 ARG CB C 31.769 0.300 1 230 32 32 ARG CD C 43.320 0.300 1 231 32 32 ARG CG C 28.079 0.300 1 232 32 32 ARG N N 111.577 0.300 1 233 33 33 PHE H H 6.918 0.030 1 234 33 33 PHE HA H 5.347 0.030 1 235 33 33 PHE HB2 H 2.980 0.030 2 236 33 33 PHE HB3 H 2.603 0.030 2 237 33 33 PHE HD1 H 6.780 0.030 1 238 33 33 PHE HD2 H 6.780 0.030 1 239 33 33 PHE HE1 H 7.119 0.030 1 240 33 33 PHE HE2 H 7.119 0.030 1 241 33 33 PHE HZ H 7.227 0.030 1 242 33 33 PHE C C 172.244 0.300 1 243 33 33 PHE CA C 56.129 0.300 1 244 33 33 PHE CB C 41.812 0.300 1 245 33 33 PHE CD1 C 132.479 0.300 1 246 33 33 PHE CD2 C 132.479 0.300 1 247 33 33 PHE CE1 C 131.003 0.300 1 248 33 33 PHE CE2 C 131.003 0.300 1 249 33 33 PHE CZ C 129.872 0.300 1 250 33 33 PHE N N 112.447 0.300 1 251 34 34 VAL H H 8.237 0.030 1 252 34 34 VAL HA H 4.319 0.030 1 253 34 34 VAL HB H 1.431 0.030 1 254 34 34 VAL HG1 H 0.388 0.030 1 255 34 34 VAL HG2 H 0.699 0.030 1 256 34 34 VAL C C 173.733 0.300 1 257 34 34 VAL CA C 61.056 0.300 1 258 34 34 VAL CB C 36.972 0.300 1 259 34 34 VAL CG1 C 20.897 0.300 2 260 34 34 VAL CG2 C 21.977 0.300 2 261 34 34 VAL N N 117.477 0.300 1 262 35 35 ARG H H 9.375 0.030 1 263 35 35 ARG HA H 5.193 0.030 1 264 35 35 ARG HB2 H 1.751 0.030 2 265 35 35 ARG HB3 H 1.522 0.030 2 266 35 35 ARG HD2 H 2.879 0.030 2 267 35 35 ARG HG2 H 1.099 0.030 2 268 35 35 ARG HG3 H 1.350 0.030 2 269 35 35 ARG C C 174.452 0.300 1 270 35 35 ARG CA C 54.654 0.300 1 271 35 35 ARG CB C 32.664 0.300 1 272 35 35 ARG CD C 43.493 0.300 1 273 35 35 ARG CG C 27.674 0.300 1 274 35 35 ARG N N 127.803 0.300 1 275 36 36 LEU H H 8.581 0.030 1 276 36 36 LEU HA H 5.007 0.030 1 277 36 36 LEU HB2 H 1.606 0.030 2 278 36 36 LEU HB3 H 1.458 0.030 2 279 36 36 LEU HD1 H 0.323 0.030 1 280 36 36 LEU HD2 H 0.202 0.030 1 281 36 36 LEU HG H 1.218 0.030 1 282 36 36 LEU C C 174.747 0.300 1 283 36 36 LEU CA C 53.441 0.300 1 284 36 36 LEU CB C 46.302 0.300 1 285 36 36 LEU CD1 C 25.735 0.300 2 286 36 36 LEU CD2 C 23.529 0.300 2 287 36 36 LEU CG C 26.870 0.300 1 288 36 36 LEU N N 128.456 0.300 1 289 37 37 SER H H 8.693 0.030 1 290 37 37 SER HA H 4.890 0.030 1 291 37 37 SER HB2 H 3.540 0.030 2 292 37 37 SER HB3 H 3.406 0.030 2 293 37 37 SER C C 172.085 0.300 1 294 37 37 SER CA C 56.094 0.300 1 295 37 37 SER CB C 66.846 0.300 1 296 37 37 SER N N 113.949 0.300 1 297 38 38 TRP H H 7.494 0.030 1 298 38 38 TRP HA H 5.040 0.030 1 299 38 38 TRP HB2 H 3.358 0.030 2 300 38 38 TRP HB3 H 2.985 0.030 2 301 38 38 TRP HD1 H 6.239 0.030 1 302 38 38 TRP HE1 H 5.251 0.030 1 303 38 38 TRP HE3 H 6.773 0.030 1 304 38 38 TRP HH2 H 6.358 0.030 1 305 38 38 TRP HZ2 H 6.614 0.030 1 306 38 38 TRP HZ3 H 6.369 0.030 1 307 38 38 TRP C C 173.233 0.300 1 308 38 38 TRP CA C 56.776 0.300 1 309 38 38 TRP CB C 30.668 0.300 1 310 38 38 TRP CD1 C 124.650 0.300 1 311 38 38 TRP CE3 C 119.420 0.300 1 312 38 38 TRP CH2 C 122.838 0.300 1 313 38 38 TRP CZ2 C 113.235 0.300 1 314 38 38 TRP CZ3 C 120.688 0.300 1 315 38 38 TRP N N 118.022 0.300 1 316 39 39 ARG H H 9.230 0.030 1 317 39 39 ARG HB2 H 1.501 0.030 2 318 39 39 ARG HB3 H 1.849 0.030 2 319 39 39 ARG HD2 H 3.323 0.030 2 320 39 39 ARG HD3 H 3.195 0.030 2 321 39 39 ARG HG2 H 1.360 0.030 2 322 39 39 ARG C C 174.488 0.300 1 323 39 39 ARG CA C 52.865 0.300 1 324 39 39 ARG CB C 30.865 0.300 1 325 39 39 ARG CD C 43.742 0.300 1 326 39 39 ARG N N 116.412 0.300 1 327 40 40 PRO HA H 4.678 0.030 1 328 40 40 PRO HB2 H 2.635 0.030 2 329 40 40 PRO HB3 H 2.026 0.030 2 330 40 40 PRO HD2 H 3.648 0.030 2 331 40 40 PRO HD3 H 3.828 0.030 2 332 40 40 PRO HG2 H 2.199 0.030 2 333 40 40 PRO HG3 H 2.119 0.030 2 334 40 40 PRO CA C 61.717 0.300 1 335 40 40 PRO CB C 30.818 0.300 1 336 40 40 PRO CD C 50.605 0.300 1 337 40 40 PRO CG C 27.762 0.300 1 338 41 41 PRO HA H 4.293 0.030 1 339 41 41 PRO HB2 H 1.425 0.030 2 340 41 41 PRO HB3 H 2.276 0.030 2 341 41 41 PRO HD2 H 3.725 0.030 2 342 41 41 PRO HD3 H 3.788 0.030 2 343 41 41 PRO HG2 H 1.808 0.030 2 344 41 41 PRO HG3 H 1.733 0.030 2 345 41 41 PRO C C 175.615 0.300 1 346 41 41 PRO CA C 62.418 0.300 1 347 41 41 PRO CB C 33.050 0.300 1 348 41 41 PRO CD C 50.585 0.300 1 349 41 41 PRO CG C 28.299 0.300 1 350 42 42 ALA H H 9.030 0.030 1 351 42 42 ALA HA H 3.959 0.030 1 352 42 42 ALA HB H 1.362 0.030 1 353 42 42 ALA C C 178.182 0.300 1 354 42 42 ALA CA C 54.731 0.300 1 355 42 42 ALA CB C 18.639 0.300 1 356 42 42 ALA N N 125.322 0.300 1 357 43 43 GLU H H 8.078 0.030 1 358 43 43 GLU HA H 4.528 0.030 1 359 43 43 GLU HB2 H 1.873 0.030 2 360 43 43 GLU HG2 H 2.130 0.030 2 361 43 43 GLU HG3 H 2.104 0.030 2 362 43 43 GLU C C 174.778 0.300 1 363 43 43 GLU CA C 54.607 0.300 1 364 43 43 GLU CB C 30.709 0.300 1 365 43 43 GLU CG C 35.611 0.300 1 366 43 43 GLU N N 115.231 0.300 1 367 44 44 ALA H H 8.578 0.030 1 368 44 44 ALA HA H 4.010 0.030 1 369 44 44 ALA HB H 1.422 0.030 1 370 44 44 ALA C C 176.603 0.300 1 371 44 44 ALA CA C 53.792 0.300 1 372 44 44 ALA CB C 19.630 0.300 1 373 44 44 ALA N N 127.143 0.300 1 374 45 45 LYS H H 8.413 0.030 1 375 45 45 LYS HA H 3.936 0.030 1 376 45 45 LYS HB2 H 1.722 0.030 2 377 45 45 LYS HB3 H 1.498 0.030 2 378 45 45 LYS HD2 H 1.606 0.030 2 379 45 45 LYS HD3 H 1.359 0.030 2 380 45 45 LYS HE2 H 2.906 0.030 2 381 45 45 LYS HE3 H 2.820 0.030 2 382 45 45 LYS HG2 H 1.159 0.030 2 383 45 45 LYS HG3 H 1.080 0.030 2 384 45 45 LYS C C 175.413 0.300 1 385 45 45 LYS CA C 56.005 0.300 1 386 45 45 LYS CB C 30.747 0.300 1 387 45 45 LYS CD C 29.149 0.300 1 388 45 45 LYS CE C 42.907 0.300 1 389 45 45 LYS CG C 25.269 0.300 1 390 45 45 LYS N N 113.269 0.300 1 391 46 46 GLY H H 7.772 0.030 1 392 46 46 GLY HA2 H 4.509 0.030 2 393 46 46 GLY HA3 H 3.789 0.030 2 394 46 46 GLY C C 172.587 0.300 1 395 46 46 GLY CA C 44.928 0.300 1 396 46 46 GLY N N 106.137 0.300 1 397 47 47 ASN H H 9.783 0.030 1 398 47 47 ASN HA H 4.795 0.030 1 399 47 47 ASN HB2 H 2.594 0.030 2 400 47 47 ASN HB3 H 2.521 0.030 2 401 47 47 ASN HD21 H 7.770 0.030 2 402 47 47 ASN HD22 H 6.908 0.030 2 403 47 47 ASN C C 175.001 0.300 1 404 47 47 ASN CA C 52.618 0.300 1 405 47 47 ASN CB C 39.772 0.300 1 406 47 47 ASN N N 121.829 0.300 1 407 47 47 ASN ND2 N 114.455 0.300 1 408 48 48 ILE H H 8.691 0.030 1 409 48 48 ILE HA H 4.203 0.030 1 410 48 48 ILE HB H 1.906 0.030 1 411 48 48 ILE HD1 H 0.687 0.030 1 412 48 48 ILE HG12 H 1.339 0.030 1 413 48 48 ILE HG13 H 1.339 0.030 1 414 48 48 ILE HG2 H 0.373 0.030 1 415 48 48 ILE C C 176.483 0.300 1 416 48 48 ILE CA C 59.812 0.300 1 417 48 48 ILE CB C 35.972 0.300 1 418 48 48 ILE CD1 C 11.750 0.300 1 419 48 48 ILE CG1 C 27.423 0.300 1 420 48 48 ILE CG2 C 18.096 0.300 1 421 48 48 ILE N N 123.531 0.300 1 422 49 49 GLN H H 8.850 0.030 1 423 49 49 GLN HA H 4.269 0.030 1 424 49 49 GLN HB2 H 2.015 0.030 2 425 49 49 GLN HB3 H 1.704 0.030 2 426 49 49 GLN HE21 H 7.193 0.030 2 427 49 49 GLN HE22 H 6.862 0.030 2 428 49 49 GLN HG2 H 2.171 0.030 2 429 49 49 GLN HG3 H 2.087 0.030 2 430 49 49 GLN C C 175.589 0.300 1 431 49 49 GLN CA C 56.203 0.300 1 432 49 49 GLN CB C 30.715 0.300 1 433 49 49 GLN CG C 33.450 0.300 1 434 49 49 GLN N N 126.733 0.300 1 435 49 49 GLN NE2 N 112.274 0.300 1 436 50 50 THR H H 7.279 0.030 1 437 50 50 THR HA H 4.320 0.030 1 438 50 50 THR HB H 3.939 0.030 1 439 50 50 THR HG2 H 0.739 0.030 1 440 50 50 THR C C 170.799 0.300 1 441 50 50 THR CA C 60.709 0.300 1 442 50 50 THR CB C 70.601 0.300 1 443 50 50 THR CG2 C 20.511 0.300 1 444 50 50 THR N N 111.200 0.300 1 445 51 51 PHE H H 8.305 0.030 1 446 51 51 PHE HA H 5.587 0.030 1 447 51 51 PHE HB2 H 2.885 0.030 2 448 51 51 PHE HB3 H 2.513 0.030 2 449 51 51 PHE HD1 H 7.308 0.030 1 450 51 51 PHE HD2 H 7.308 0.030 1 451 51 51 PHE HE1 H 7.371 0.030 1 452 51 51 PHE HE2 H 7.371 0.030 1 453 51 51 PHE HZ H 7.368 0.030 1 454 51 51 PHE C C 174.832 0.300 1 455 51 51 PHE CA C 56.632 0.300 1 456 51 51 PHE CB C 43.167 0.300 1 457 51 51 PHE CD1 C 133.460 0.300 1 458 51 51 PHE CD2 C 133.460 0.300 1 459 51 51 PHE CE1 C 131.556 0.300 1 460 51 51 PHE CE2 C 131.556 0.300 1 461 51 51 PHE CZ C 128.556 0.300 1 462 51 51 PHE N N 118.292 0.300 1 463 52 52 THR H H 9.190 0.030 1 464 52 52 THR HA H 4.816 0.030 1 465 52 52 THR HB H 3.567 0.030 1 466 52 52 THR HG2 H 0.254 0.030 1 467 52 52 THR C C 172.487 0.300 1 468 52 52 THR CA C 62.112 0.300 1 469 52 52 THR CB C 71.605 0.300 1 470 52 52 THR CG2 C 22.991 0.300 1 471 52 52 THR N N 117.456 0.300 1 472 53 53 VAL H H 9.048 0.030 1 473 53 53 VAL HA H 4.635 0.030 1 474 53 53 VAL HB H 1.941 0.030 1 475 53 53 VAL HG1 H 0.985 0.030 1 476 53 53 VAL HG2 H 0.661 0.030 1 477 53 53 VAL C C 174.531 0.300 1 478 53 53 VAL CA C 60.813 0.300 1 479 53 53 VAL CB C 32.872 0.300 1 480 53 53 VAL CG1 C 22.095 0.300 2 481 53 53 VAL CG2 C 23.082 0.300 2 482 53 53 VAL N N 126.175 0.300 1 483 54 54 PHE H H 9.180 0.030 1 484 54 54 PHE HA H 5.753 0.030 1 485 54 54 PHE HB2 H 2.788 0.030 2 486 54 54 PHE HB3 H 2.640 0.030 2 487 54 54 PHE HD1 H 6.879 0.030 1 488 54 54 PHE HD2 H 6.879 0.030 1 489 54 54 PHE HE1 H 7.145 0.030 1 490 54 54 PHE HE2 H 7.145 0.030 1 491 54 54 PHE HZ H 7.252 0.030 1 492 54 54 PHE C C 176.697 0.300 1 493 54 54 PHE CA C 56.403 0.300 1 494 54 54 PHE CB C 42.088 0.300 1 495 54 54 PHE CD1 C 131.920 0.300 1 496 54 54 PHE CD2 C 131.920 0.300 1 497 54 54 PHE CE1 C 130.985 0.300 1 498 54 54 PHE CE2 C 130.985 0.300 1 499 54 54 PHE CZ C 129.624 0.300 1 500 54 54 PHE N N 126.255 0.300 1 501 55 55 PHE H H 9.075 0.030 1 502 55 55 PHE HA H 6.006 0.030 1 503 55 55 PHE HB2 H 3.003 0.030 2 504 55 55 PHE HB3 H 2.241 0.030 2 505 55 55 PHE HD1 H 6.853 0.030 1 506 55 55 PHE HD2 H 6.853 0.030 1 507 55 55 PHE HE1 H 7.021 0.030 1 508 55 55 PHE HE2 H 7.021 0.030 1 509 55 55 PHE HZ H 7.198 0.030 1 510 55 55 PHE C C 173.908 0.300 1 511 55 55 PHE CA C 54.959 0.300 1 512 55 55 PHE CB C 44.004 0.300 1 513 55 55 PHE CD1 C 132.111 0.300 1 514 55 55 PHE CD2 C 132.111 0.300 1 515 55 55 PHE CE1 C 131.173 0.300 1 516 55 55 PHE CE2 C 131.173 0.300 1 517 55 55 PHE CZ C 130.332 0.300 1 518 55 55 PHE N N 117.700 0.300 1 519 56 56 SER H H 8.287 0.030 1 520 56 56 SER HA H 4.773 0.030 1 521 56 56 SER HB2 H 3.749 0.030 1 522 56 56 SER HB3 H 3.749 0.030 1 523 56 56 SER C C 172.268 0.300 1 524 56 56 SER CA C 56.685 0.300 1 525 56 56 SER CB C 66.141 0.300 1 526 56 56 SER N N 113.003 0.300 1 527 57 57 ARG H H 8.796 0.030 1 528 57 57 ARG HA H 4.226 0.030 1 529 57 57 ARG HB2 H 1.381 0.030 1 530 57 57 ARG HB3 H 1.381 0.030 1 531 57 57 ARG HD2 H 2.957 0.030 1 532 57 57 ARG HD3 H 2.957 0.030 1 533 57 57 ARG HG2 H 0.980 0.030 2 534 57 57 ARG HG3 H 1.432 0.030 2 535 57 57 ARG C C 176.151 0.300 1 536 57 57 ARG CA C 54.617 0.300 1 537 57 57 ARG CB C 31.596 0.300 1 538 57 57 ARG CD C 43.510 0.300 1 539 57 57 ARG CG C 27.077 0.300 1 540 57 57 ARG N N 123.743 0.300 1 541 58 58 GLU H H 8.234 0.030 1 542 58 58 GLU HA H 3.916 0.030 1 543 58 58 GLU HB2 H 1.856 0.030 2 544 58 58 GLU HB3 H 1.808 0.030 2 545 58 58 GLU HG2 H 2.107 0.030 1 546 58 58 GLU HG3 H 2.107 0.030 1 547 58 58 GLU C C 177.191 0.300 1 548 58 58 GLU CA C 58.371 0.300 1 549 58 58 GLU CB C 29.566 0.300 1 550 58 58 GLU CG C 35.819 0.300 1 551 58 58 GLU N N 126.196 0.300 1 552 59 59 GLY H H 8.821 0.030 1 553 59 59 GLY HA2 H 3.562 0.030 2 554 59 59 GLY HA3 H 4.274 0.030 2 555 59 59 GLY C C 174.008 0.300 1 556 59 59 GLY CA C 45.037 0.300 1 557 59 59 GLY N N 115.732 0.300 1 558 60 60 ASP H H 8.096 0.030 1 559 60 60 ASP HA H 4.667 0.030 1 560 60 60 ASP HB2 H 2.615 0.030 2 561 60 60 ASP HB3 H 2.850 0.030 2 562 60 60 ASP C C 176.338 0.300 1 563 60 60 ASP CA C 53.932 0.300 1 564 60 60 ASP CB C 42.285 0.300 1 565 60 60 ASP N N 121.358 0.300 1 566 61 61 ASN HA H 4.527 0.030 1 567 61 61 ASN HB2 H 2.824 0.030 2 568 61 61 ASN HB3 H 2.782 0.030 2 569 61 61 ASN HD21 H 7.520 0.030 2 570 61 61 ASN HD22 H 6.833 0.030 2 571 61 61 ASN C C 174.790 0.300 1 572 61 61 ASN CA C 53.656 0.300 1 573 61 61 ASN CB C 38.310 0.300 1 574 61 61 ASN ND2 N 112.227 0.300 1 575 62 62 ARG H H 7.643 0.030 1 576 62 62 ARG HA H 4.387 0.030 1 577 62 62 ARG HB2 H 1.725 0.030 1 578 62 62 ARG HB3 H 1.725 0.030 1 579 62 62 ARG HD2 H 3.134 0.030 2 580 62 62 ARG HG2 H 1.494 0.030 1 581 62 62 ARG HG3 H 1.494 0.030 1 582 62 62 ARG C C 175.049 0.300 1 583 62 62 ARG CA C 55.322 0.300 1 584 62 62 ARG CB C 31.541 0.300 1 585 62 62 ARG CD C 43.435 0.300 1 586 62 62 ARG CG C 26.357 0.300 1 587 62 62 ARG N N 118.531 0.300 1 588 63 63 GLU H H 8.658 0.030 1 589 63 63 GLU HA H 4.370 0.030 1 590 63 63 GLU HB2 H 1.973 0.030 2 591 63 63 GLU HB3 H 1.855 0.030 2 592 63 63 GLU HG2 H 2.130 0.030 2 593 63 63 GLU HG3 H 1.980 0.030 2 594 63 63 GLU C C 176.498 0.300 1 595 63 63 GLU CA C 55.793 0.300 1 596 63 63 GLU CB C 31.874 0.300 1 597 63 63 GLU CG C 37.813 0.300 1 598 63 63 GLU N N 123.793 0.300 1 599 64 64 ARG H H 8.358 0.030 1 600 64 64 ARG HA H 4.315 0.030 1 601 64 64 ARG HB2 H 1.381 0.030 2 602 64 64 ARG HB3 H 0.324 0.030 2 603 64 64 ARG HD2 H 3.068 0.030 1 604 64 64 ARG HD3 H 3.068 0.030 1 605 64 64 ARG HG2 H 1.441 0.030 1 606 64 64 ARG HG3 H 1.441 0.030 1 607 64 64 ARG C C 173.380 0.300 1 608 64 64 ARG CA C 54.863 0.300 1 609 64 64 ARG CB C 32.939 0.300 1 610 64 64 ARG CD C 43.561 0.300 1 611 64 64 ARG CG C 27.847 0.300 1 612 64 64 ARG N N 125.095 0.300 1 613 65 65 ALA H H 7.900 0.030 1 614 65 65 ALA HA H 5.368 0.030 1 615 65 65 ALA HB H 0.911 0.030 1 616 65 65 ALA C C 177.576 0.300 1 617 65 65 ALA CA C 50.717 0.300 1 618 65 65 ALA CB C 23.359 0.300 1 619 65 65 ALA N N 120.621 0.300 1 620 66 66 LEU H H 8.924 0.030 1 621 66 66 LEU HA H 4.618 0.030 1 622 66 66 LEU HB2 H 1.503 0.030 2 623 66 66 LEU HB3 H 1.676 0.030 2 624 66 66 LEU HD1 H 1.083 0.030 1 625 66 66 LEU HD2 H 1.053 0.030 1 626 66 66 LEU HG H 1.719 0.030 1 627 66 66 LEU C C 174.023 0.300 1 628 66 66 LEU CA C 54.468 0.300 1 629 66 66 LEU CB C 47.234 0.300 1 630 66 66 LEU CD1 C 25.562 0.300 2 631 66 66 LEU CD2 C 25.399 0.300 2 632 66 66 LEU CG C 27.446 0.300 1 633 66 66 LEU N N 123.963 0.300 1 634 67 67 ASN H H 8.410 0.030 1 635 67 67 ASN HA H 5.716 0.030 1 636 67 67 ASN HB2 H 2.818 0.030 2 637 67 67 ASN HB3 H 2.594 0.030 2 638 67 67 ASN HD21 H 7.328 0.030 2 639 67 67 ASN HD22 H 6.653 0.030 2 640 67 67 ASN C C 176.853 0.300 1 641 67 67 ASN CA C 51.457 0.300 1 642 67 67 ASN CB C 40.518 0.300 1 643 67 67 ASN N N 120.741 0.300 1 644 67 67 ASN ND2 N 113.255 0.300 1 645 68 68 THR H H 8.686 0.030 1 646 68 68 THR HA H 4.432 0.030 1 647 68 68 THR HB H 4.348 0.030 1 648 68 68 THR HG2 H 1.191 0.030 1 649 68 68 THR C C 175.710 0.300 1 650 68 68 THR CA C 62.381 0.300 1 651 68 68 THR CB C 69.876 0.300 1 652 68 68 THR CG2 C 21.857 0.300 1 653 68 68 THR N N 110.122 0.300 1 654 69 69 THR H H 6.515 0.030 1 655 69 69 THR HA H 4.518 0.030 1 656 69 69 THR HB H 4.699 0.030 1 657 69 69 THR HG2 H 1.680 0.030 1 658 69 69 THR C C 174.776 0.300 1 659 69 69 THR CA C 62.039 0.300 1 660 69 69 THR CB C 70.312 0.300 1 661 69 69 THR CG2 C 23.843 0.300 1 662 70 70 GLN H H 7.822 0.030 1 663 70 70 GLN HA H 4.901 0.030 1 664 70 70 GLN HB2 H 1.994 0.030 2 665 70 70 GLN HB3 H 2.105 0.030 2 666 70 70 GLN HE21 H 7.540 0.030 2 667 70 70 GLN HE22 H 6.879 0.030 2 668 70 70 GLN HG2 H 2.369 0.030 1 669 70 70 GLN HG3 H 2.369 0.030 1 670 70 70 GLN C C 174.454 0.300 1 671 70 70 GLN CA C 52.997 0.300 1 672 70 70 GLN CB C 29.713 0.300 1 673 70 70 GLN CG C 33.165 0.300 1 674 70 70 GLN N N 121.679 0.300 1 675 70 70 GLN NE2 N 112.505 0.300 1 676 71 71 PRO HA H 4.425 0.030 1 677 71 71 PRO HB2 H 2.326 0.030 2 678 71 71 PRO HB3 H 1.930 0.030 2 679 71 71 PRO HD2 H 3.731 0.030 2 680 71 71 PRO HD3 H 3.952 0.030 2 681 71 71 PRO HG2 H 2.108 0.030 2 682 71 71 PRO HG3 H 2.024 0.030 2 683 71 71 PRO C C 177.716 0.300 1 684 71 71 PRO CA C 63.946 0.300 1 685 71 71 PRO CB C 31.900 0.300 1 686 71 71 PRO CD C 51.272 0.300 1 687 71 71 PRO CG C 27.558 0.300 1 688 72 72 GLY H H 8.938 0.030 1 689 72 72 GLY HA2 H 4.083 0.030 2 690 72 72 GLY HA3 H 3.858 0.030 2 691 72 72 GLY C C 174.332 0.300 1 692 72 72 GLY CA C 45.484 0.300 1 693 72 72 GLY N N 111.037 0.300 1 694 73 73 SER H H 7.549 0.030 1 695 73 73 SER HA H 4.245 0.030 1 696 73 73 SER HB2 H 4.004 0.030 2 697 73 73 SER HB3 H 3.964 0.030 2 698 73 73 SER C C 174.078 0.300 1 699 73 73 SER CA C 59.234 0.300 1 700 73 73 SER CB C 64.332 0.300 1 701 73 73 SER N N 114.985 0.300 1 702 74 74 LEU H H 8.012 0.030 1 703 74 74 LEU HA H 3.496 0.030 1 704 74 74 LEU HB2 H 1.503 0.030 2 705 74 74 LEU HB3 H 0.929 0.030 2 706 74 74 LEU HD1 H 0.858 0.030 1 707 74 74 LEU HD2 H 0.582 0.030 1 708 74 74 LEU HG H 1.432 0.030 1 709 74 74 LEU C C 172.701 0.300 1 710 74 74 LEU CA C 52.881 0.300 1 711 74 74 LEU CB C 40.944 0.300 1 712 74 74 LEU CD1 C 26.192 0.300 2 713 74 74 LEU CD2 C 23.630 0.300 2 714 74 74 LEU CG C 26.256 0.300 1 715 74 74 LEU N N 125.760 0.300 1 716 75 75 GLN H H 6.556 0.030 1 717 75 75 GLN HA H 4.423 0.030 1 718 75 75 GLN HB2 H 1.600 0.030 2 719 75 75 GLN HB3 H 1.552 0.030 2 720 75 75 GLN HE21 H 7.216 0.030 2 721 75 75 GLN HE22 H 6.657 0.030 2 722 75 75 GLN HG2 H 1.957 0.030 1 723 75 75 GLN HG3 H 1.957 0.030 1 724 75 75 GLN C C 175.050 0.300 1 725 75 75 GLN CA C 53.385 0.300 1 726 75 75 GLN CB C 32.834 0.300 1 727 75 75 GLN CG C 33.184 0.300 1 728 75 75 GLN N N 110.843 0.300 1 729 75 75 GLN NE2 N 111.068 0.300 1 730 76 76 LEU H H 8.097 0.030 1 731 76 76 LEU HA H 4.385 0.030 1 732 76 76 LEU HB2 H 1.712 0.030 2 733 76 76 LEU HB3 H 1.596 0.030 2 734 76 76 LEU HD1 H 0.966 0.030 1 735 76 76 LEU HD2 H 0.694 0.030 1 736 76 76 LEU HG H 1.478 0.030 1 737 76 76 LEU C C 174.954 0.300 1 738 76 76 LEU CA C 55.481 0.300 1 739 76 76 LEU CB C 47.022 0.300 1 740 76 76 LEU CD1 C 24.138 0.300 2 741 76 76 LEU CD2 C 26.712 0.300 2 742 76 76 LEU CG C 26.808 0.300 1 743 76 76 LEU N N 118.821 0.300 1 744 77 77 THR H H 8.692 0.030 1 745 77 77 THR HA H 4.409 0.030 1 746 77 77 THR HB H 3.880 0.030 1 747 77 77 THR HG2 H 0.669 0.030 1 748 77 77 THR C C 172.358 0.300 1 749 77 77 THR CA C 63.057 0.300 1 750 77 77 THR CB C 68.609 0.300 1 751 77 77 THR CG2 C 22.232 0.300 1 752 77 77 THR N N 123.862 0.300 1 753 78 78 VAL H H 9.034 0.030 1 754 78 78 VAL HA H 3.636 0.030 1 755 78 78 VAL HB H 1.833 0.030 1 756 78 78 VAL HG1 H 0.565 0.030 1 757 78 78 VAL HG2 H -0.021 0.030 1 758 78 78 VAL C C 174.388 0.300 1 759 78 78 VAL CA C 62.017 0.300 1 760 78 78 VAL CB C 30.856 0.300 1 761 78 78 VAL CG1 C 19.978 0.300 2 762 78 78 VAL CG2 C 21.060 0.300 2 763 78 78 VAL N N 131.161 0.300 1 764 79 79 GLY H H 7.712 0.030 1 765 79 79 GLY HA2 H 4.890 0.030 2 766 79 79 GLY HA3 H 3.559 0.030 2 767 79 79 GLY C C 172.821 0.300 1 768 79 79 GLY CA C 43.215 0.300 1 769 79 79 GLY N N 112.517 0.300 1 770 80 80 ASN H H 8.517 0.030 1 771 80 80 ASN HA H 4.340 0.030 1 772 80 80 ASN HB2 H 3.124 0.030 2 773 80 80 ASN HB3 H 2.800 0.030 2 774 80 80 ASN HD21 H 7.586 0.030 2 775 80 80 ASN HD22 H 6.925 0.030 2 776 80 80 ASN C C 175.108 0.300 1 777 80 80 ASN CA C 54.249 0.300 1 778 80 80 ASN CB C 37.778 0.300 1 779 80 80 ASN N N 111.397 0.300 1 780 80 80 ASN ND2 N 113.224 0.300 1 781 81 81 LEU H H 8.319 0.030 1 782 81 81 LEU HA H 4.395 0.030 1 783 81 81 LEU HB2 H 1.161 0.030 2 784 81 81 LEU HB3 H 0.903 0.030 2 785 81 81 LEU HD1 H 0.055 0.030 1 786 81 81 LEU HD2 H 0.050 0.030 1 787 81 81 LEU HG H 1.137 0.030 1 788 81 81 LEU C C 175.963 0.300 1 789 81 81 LEU CA C 53.278 0.300 1 790 81 81 LEU CB C 41.413 0.300 1 791 81 81 LEU CD1 C 26.043 0.300 2 792 81 81 LEU CD2 C 20.357 0.300 2 793 81 81 LEU CG C 25.922 0.300 1 794 81 81 LEU N N 117.124 0.300 1 795 82 82 LYS H H 8.409 0.030 1 796 82 82 LYS HA H 4.699 0.030 1 797 82 82 LYS HB2 H 1.770 0.030 2 798 82 82 LYS HB3 H 1.698 0.030 2 799 82 82 LYS HD2 H 1.525 0.030 2 800 82 82 LYS HD3 H 1.595 0.030 2 801 82 82 LYS HE2 H 2.984 0.030 1 802 82 82 LYS HE3 H 2.984 0.030 1 803 82 82 LYS HG2 H 1.567 0.030 2 804 82 82 LYS HG3 H 1.476 0.030 2 805 82 82 LYS C C 174.166 0.300 1 806 82 82 LYS CA C 53.190 0.300 1 807 82 82 LYS CB C 33.852 0.300 1 808 82 82 LYS CD C 29.187 0.300 1 809 82 82 LYS CE C 42.316 0.300 1 810 82 82 LYS CG C 24.399 0.300 1 811 82 82 LYS N N 121.558 0.300 1 812 83 83 PRO HA H 4.986 0.030 1 813 83 83 PRO HB2 H 2.447 0.030 2 814 83 83 PRO HB3 H 1.901 0.030 2 815 83 83 PRO HD2 H 3.572 0.030 2 816 83 83 PRO HD3 H 3.902 0.030 2 817 83 83 PRO HG2 H 1.693 0.030 2 818 83 83 PRO HG3 H 1.972 0.030 2 819 83 83 PRO C C 176.208 0.300 1 820 83 83 PRO CA C 63.008 0.300 1 821 83 83 PRO CB C 33.296 0.300 1 822 83 83 PRO CD C 51.277 0.300 1 823 83 83 PRO CG C 27.392 0.300 1 824 84 84 GLU H H 6.926 0.030 1 825 84 84 GLU HA H 3.630 0.030 1 826 84 84 GLU HB2 H 2.156 0.030 2 827 84 84 GLU HB3 H 1.758 0.030 2 828 84 84 GLU HG2 H 2.085 0.030 2 829 84 84 GLU HG3 H 2.033 0.030 2 830 84 84 GLU C C 174.086 0.300 1 831 84 84 GLU CA C 56.397 0.300 1 832 84 84 GLU CB C 29.399 0.300 1 833 84 84 GLU CG C 38.295 0.300 1 834 84 84 GLU N N 120.497 0.300 1 835 85 85 ALA H H 8.182 0.030 1 836 85 85 ALA HA H 4.614 0.030 1 837 85 85 ALA HB H 1.127 0.030 1 838 85 85 ALA C C 174.766 0.300 1 839 85 85 ALA CA C 50.529 0.300 1 840 85 85 ALA CB C 22.487 0.300 1 841 85 85 ALA N N 122.402 0.300 1 842 86 86 MET H H 8.163 0.030 1 843 86 86 MET HA H 4.912 0.030 1 844 86 86 MET HB2 H 1.893 0.030 1 845 86 86 MET HB3 H 1.893 0.030 1 846 86 86 MET HE H 1.990 0.030 1 847 86 86 MET HG2 H 2.516 0.030 2 848 86 86 MET HG3 H 2.122 0.030 2 849 86 86 MET C C 175.005 0.300 1 850 86 86 MET CA C 54.257 0.300 1 851 86 86 MET CB C 32.331 0.300 1 852 86 86 MET CE C 16.692 0.300 1 853 86 86 MET CG C 31.757 0.300 1 854 86 86 MET N N 118.966 0.300 1 855 87 87 TYR H H 9.033 0.030 1 856 87 87 TYR HA H 5.086 0.030 1 857 87 87 TYR HB2 H 2.936 0.030 2 858 87 87 TYR HB3 H 2.170 0.030 2 859 87 87 TYR HE1 H 7.001 0.030 1 860 87 87 TYR HE2 H 7.001 0.030 1 861 87 87 TYR C C 174.837 0.300 1 862 87 87 TYR CA C 57.562 0.300 1 863 87 87 TYR CB C 44.126 0.300 1 864 87 87 TYR CE1 C 118.759 0.300 1 865 87 87 TYR CE2 C 118.759 0.300 1 866 87 87 TYR N N 128.457 0.300 1 867 88 88 THR H H 8.752 0.030 1 868 88 88 THR HA H 5.342 0.030 1 869 88 88 THR HB H 3.820 0.030 1 870 88 88 THR HG2 H 1.097 0.030 1 871 88 88 THR C C 174.132 0.300 1 872 88 88 THR CA C 60.973 0.300 1 873 88 88 THR CB C 70.425 0.300 1 874 88 88 THR CG2 C 21.921 0.300 1 875 88 88 THR N N 114.590 0.300 1 876 89 89 PHE H H 9.159 0.030 1 877 89 89 PHE HA H 5.683 0.030 1 878 89 89 PHE HB2 H 2.709 0.030 1 879 89 89 PHE HB3 H 2.709 0.030 1 880 89 89 PHE HD1 H 7.014 0.030 1 881 89 89 PHE HD2 H 7.014 0.030 1 882 89 89 PHE HE1 H 6.885 0.030 1 883 89 89 PHE HE2 H 6.885 0.030 1 884 89 89 PHE HZ H 6.528 0.030 1 885 89 89 PHE C C 175.387 0.300 1 886 89 89 PHE CA C 56.759 0.300 1 887 89 89 PHE CB C 43.969 0.300 1 888 89 89 PHE CD1 C 132.362 0.300 1 889 89 89 PHE CD2 C 132.362 0.300 1 890 89 89 PHE CE1 C 130.686 0.300 1 891 89 89 PHE CE2 C 130.686 0.300 1 892 89 89 PHE CZ C 128.356 0.300 1 893 89 89 PHE N N 121.258 0.300 1 894 90 90 ARG H H 9.226 0.030 1 895 90 90 ARG HA H 4.571 0.030 1 896 90 90 ARG HB2 H 1.807 0.030 2 897 90 90 ARG HG2 H 1.622 0.030 2 898 90 90 ARG HG3 H 1.467 0.030 2 899 90 90 ARG C C 172.577 0.300 1 900 90 90 ARG CA C 55.077 0.300 1 901 90 90 ARG CB C 32.545 0.300 1 902 90 90 ARG CD C 42.907 0.300 1 903 90 90 ARG CG C 27.489 0.300 1 904 90 90 ARG N N 119.179 0.300 1 905 91 91 VAL H H 8.676 0.030 1 906 91 91 VAL HA H 5.146 0.030 1 907 91 91 VAL HB H 1.172 0.030 1 908 91 91 VAL HG1 H -0.308 0.030 1 909 91 91 VAL HG2 H 0.384 0.030 1 910 91 91 VAL C C 174.197 0.300 1 911 91 91 VAL CA C 60.942 0.300 1 912 91 91 VAL CB C 34.569 0.300 1 913 91 91 VAL CG1 C 20.221 0.300 2 914 91 91 VAL CG2 C 21.922 0.300 2 915 91 91 VAL N N 120.871 0.300 1 916 92 92 VAL H H 8.943 0.030 1 917 92 92 VAL HA H 4.230 0.030 1 918 92 92 VAL HB H 1.951 0.030 1 919 92 92 VAL HG1 H 0.778 0.030 1 920 92 92 VAL HG2 H 0.969 0.030 1 921 92 92 VAL C C 174.067 0.300 1 922 92 92 VAL CA C 61.285 0.300 1 923 92 92 VAL CB C 37.084 0.300 1 924 92 92 VAL CG1 C 21.820 0.300 2 925 92 92 VAL CG2 C 22.078 0.300 2 926 92 92 VAL N N 125.711 0.300 1 927 93 93 ALA H H 9.214 0.030 1 928 93 93 ALA HA H 4.756 0.030 1 929 93 93 ALA HB H 1.239 0.030 1 930 93 93 ALA C C 174.848 0.300 1 931 93 93 ALA CA C 50.400 0.300 1 932 93 93 ALA CB C 22.502 0.300 1 933 93 93 ALA N N 127.695 0.300 1 934 94 94 TYR H H 8.024 0.030 1 935 94 94 TYR HA H 5.066 0.030 1 936 94 94 TYR HB2 H 2.736 0.030 2 937 94 94 TYR HB3 H 2.653 0.030 2 938 94 94 TYR HD1 H 6.899 0.030 1 939 94 94 TYR HD2 H 6.899 0.030 1 940 94 94 TYR HE1 H 6.774 0.030 1 941 94 94 TYR HE2 H 6.774 0.030 1 942 94 94 TYR C C 177.534 0.300 1 943 94 94 TYR CA C 56.508 0.300 1 944 94 94 TYR CB C 40.258 0.300 1 945 94 94 TYR CD1 C 132.634 0.300 1 946 94 94 TYR CD2 C 132.634 0.300 1 947 94 94 TYR CE1 C 118.517 0.300 1 948 94 94 TYR CE2 C 118.517 0.300 1 949 94 94 TYR N N 117.543 0.300 1 950 95 95 ASN H H 8.092 0.030 1 951 95 95 ASN HA H 5.307 0.030 1 952 95 95 ASN HB2 H 3.381 0.030 2 953 95 95 ASN HB3 H 2.618 0.030 2 954 95 95 ASN HD21 H 7.589 0.030 2 955 95 95 ASN HD22 H 7.979 0.030 2 956 95 95 ASN C C 175.751 0.300 1 957 95 95 ASN CA C 51.176 0.300 1 958 95 95 ASN CB C 38.872 0.300 1 959 95 95 ASN N N 121.908 0.300 1 960 95 95 ASN ND2 N 110.612 0.300 1 961 96 96 GLU H H 10.387 0.030 1 962 96 96 GLU HA H 3.809 0.030 1 963 96 96 GLU HB2 H 1.334 0.030 2 964 96 96 GLU HB3 H 1.488 0.030 2 965 96 96 GLU HG2 H 1.515 0.030 2 966 96 96 GLU HG3 H 1.680 0.030 2 967 96 96 GLU C C 176.796 0.300 1 968 96 96 GLU CA C 59.472 0.300 1 969 96 96 GLU CB C 27.959 0.300 1 970 96 96 GLU CG C 35.580 0.300 1 971 96 96 GLU N N 118.335 0.300 1 972 97 97 TRP H H 8.100 0.030 1 973 97 97 TRP HA H 4.667 0.030 1 974 97 97 TRP HB2 H 3.247 0.030 1 975 97 97 TRP HB3 H 3.247 0.030 1 976 97 97 TRP HD1 H 7.283 0.030 1 977 97 97 TRP HE1 H 10.064 0.030 1 978 97 97 TRP HE3 H 7.666 0.030 1 979 97 97 TRP HH2 H 7.154 0.030 1 980 97 97 TRP HZ2 H 7.437 0.030 1 981 97 97 TRP HZ3 H 7.091 0.030 1 982 97 97 TRP C C 176.412 0.300 1 983 97 97 TRP CA C 57.383 0.300 1 984 97 97 TRP CB C 30.235 0.300 1 985 97 97 TRP CD1 C 128.084 0.300 1 986 97 97 TRP CE3 C 120.772 0.300 1 987 97 97 TRP CH2 C 124.277 0.300 1 988 97 97 TRP CZ2 C 114.643 0.300 1 989 97 97 TRP CZ3 C 121.784 0.300 1 990 97 97 TRP N N 119.124 0.300 1 991 97 97 TRP NE1 N 128.977 0.300 1 992 98 98 GLY H H 7.756 0.030 1 993 98 98 GLY HA2 H 3.898 0.030 2 994 98 98 GLY HA3 H 4.569 0.030 2 995 98 98 GLY C C 169.173 0.300 1 996 98 98 GLY CA C 45.100 0.300 1 997 98 98 GLY N N 108.174 0.300 1 998 99 99 PRO HA H 4.273 0.030 1 999 99 99 PRO HB2 H 1.536 0.030 2 1000 99 99 PRO HB3 H 1.057 0.030 2 1001 99 99 PRO HD2 H 3.499 0.030 2 1002 99 99 PRO HD3 H 3.698 0.030 2 1003 99 99 PRO HG2 H 1.919 0.030 2 1004 99 99 PRO HG3 H 2.063 0.030 2 1005 99 99 PRO C C 177.944 0.300 1 1006 99 99 PRO CA C 61.149 0.300 1 1007 99 99 PRO CB C 31.763 0.300 1 1008 99 99 PRO CD C 49.512 0.300 1 1009 99 99 PRO CG C 25.873 0.300 1 1010 100 100 GLY H H 8.217 0.030 1 1011 100 100 GLY HA2 H 4.296 0.030 2 1012 100 100 GLY HA3 H 3.990 0.030 2 1013 100 100 GLY C C 173.177 0.300 1 1014 100 100 GLY CA C 43.744 0.300 1 1015 100 100 GLY N N 107.531 0.300 1 1016 101 101 GLU H H 7.111 0.030 1 1017 101 101 GLU HA H 3.982 0.030 1 1018 101 101 GLU HB2 H 1.865 0.030 2 1019 101 101 GLU HB3 H 1.764 0.030 2 1020 101 101 GLU HG2 H 2.368 0.030 1 1021 101 101 GLU HG3 H 2.368 0.030 1 1022 101 101 GLU C C 177.039 0.300 1 1023 101 101 GLU CA C 55.931 0.300 1 1024 101 101 GLU CB C 31.407 0.300 1 1025 101 101 GLU CG C 36.166 0.300 1 1026 101 101 GLU N N 118.111 0.300 1 1027 102 102 SER H H 8.656 0.030 1 1028 102 102 SER HA H 4.656 0.030 1 1029 102 102 SER HB2 H 3.684 0.030 2 1030 102 102 SER HB3 H 3.502 0.030 2 1031 102 102 SER C C 176.514 0.300 1 1032 102 102 SER CA C 57.883 0.300 1 1033 102 102 SER CB C 63.689 0.300 1 1034 102 102 SER N N 116.267 0.300 1 1035 103 103 SER H H 9.099 0.030 1 1036 103 103 SER HA H 4.383 0.030 1 1037 103 103 SER HB2 H 3.857 0.030 2 1038 103 103 SER HB3 H 4.278 0.030 2 1039 103 103 SER C C 174.885 0.300 1 1040 103 103 SER CA C 59.621 0.300 1 1041 103 103 SER CB C 64.177 0.300 1 1042 103 103 SER N N 120.625 0.300 1 1043 104 104 GLN H H 8.842 0.030 1 1044 104 104 GLN HA H 4.517 0.030 1 1045 104 104 GLN HB2 H 2.158 0.030 2 1046 104 104 GLN HB3 H 2.051 0.030 2 1047 104 104 GLN HE21 H 7.750 0.030 2 1048 104 104 GLN HE22 H 6.956 0.030 2 1049 104 104 GLN HG2 H 2.516 0.030 1 1050 104 104 GLN HG3 H 2.516 0.030 1 1051 104 104 GLN C C 175.069 0.300 1 1052 104 104 GLN CA C 54.483 0.300 1 1053 104 104 GLN CB C 27.867 0.300 1 1054 104 104 GLN CG C 33.611 0.300 1 1055 104 104 GLN N N 123.026 0.300 1 1056 104 104 GLN NE2 N 113.546 0.300 1 1057 105 105 PRO HA H 4.798 0.030 1 1058 105 105 PRO HB2 H 2.026 0.030 2 1059 105 105 PRO HB3 H 1.749 0.030 2 1060 105 105 PRO HD2 H 3.663 0.030 2 1061 105 105 PRO HD3 H 3.920 0.030 2 1062 105 105 PRO HG2 H 1.845 0.030 2 1063 105 105 PRO HG3 H 2.094 0.030 2 1064 105 105 PRO C C 176.855 0.300 1 1065 105 105 PRO CA C 62.772 0.300 1 1066 105 105 PRO CB C 32.531 0.300 1 1067 105 105 PRO CD C 50.747 0.300 1 1068 105 105 PRO CG C 27.729 0.300 1 1069 106 106 ILE H H 8.735 0.030 1 1070 106 106 ILE HA H 4.826 0.030 1 1071 106 106 ILE HB H 1.911 0.030 1 1072 106 106 ILE HD1 H 0.726 0.030 1 1073 106 106 ILE HG12 H 1.600 0.030 2 1074 106 106 ILE HG13 H 1.107 0.030 2 1075 106 106 ILE HG2 H 1.019 0.030 1 1076 106 106 ILE C C 174.258 0.300 1 1077 106 106 ILE CA C 59.277 0.300 1 1078 106 106 ILE CB C 41.723 0.300 1 1079 106 106 ILE CD1 C 14.421 0.300 1 1080 106 106 ILE CG1 C 26.608 0.300 1 1081 106 106 ILE CG2 C 17.901 0.300 1 1082 106 106 ILE N N 117.149 0.300 1 1083 107 107 LYS H H 8.514 0.030 1 1084 107 107 LYS HA H 5.651 0.030 1 1085 107 107 LYS HB2 H 1.977 0.030 2 1086 107 107 LYS HB3 H 1.640 0.030 2 1087 107 107 LYS HD2 H 1.582 0.030 1 1088 107 107 LYS HD3 H 1.582 0.030 1 1089 107 107 LYS HE2 H 2.852 0.030 1 1090 107 107 LYS HE3 H 2.852 0.030 1 1091 107 107 LYS HG2 H 1.410 0.030 1 1092 107 107 LYS HG3 H 1.410 0.030 1 1093 107 107 LYS C C 176.745 0.300 1 1094 107 107 LYS CA C 54.979 0.300 1 1095 107 107 LYS CB C 34.105 0.300 1 1096 107 107 LYS CD C 29.386 0.300 1 1097 107 107 LYS CE C 42.103 0.300 1 1098 107 107 LYS CG C 25.073 0.300 1 1099 107 107 LYS N N 123.116 0.300 1 1100 108 108 VAL H H 9.412 0.030 1 1101 108 108 VAL HA H 4.247 0.030 1 1102 108 108 VAL HB H 2.138 0.030 1 1103 108 108 VAL HG1 H 0.937 0.030 1 1104 108 108 VAL HG2 H 0.899 0.030 1 1105 108 108 VAL C C 173.009 0.300 1 1106 108 108 VAL CA C 61.476 0.300 1 1107 108 108 VAL CB C 36.752 0.300 1 1108 108 108 VAL CG1 C 21.929 0.300 2 1109 108 108 VAL CG2 C 21.654 0.300 2 1110 108 108 VAL N N 124.925 0.300 1 1111 109 109 ALA H H 8.372 0.030 1 1112 109 109 ALA HA H 5.767 0.030 1 1113 109 109 ALA HB H 1.247 0.030 1 1114 109 109 ALA C C 178.815 0.300 1 1115 109 109 ALA CA C 49.728 0.300 1 1116 109 109 ALA CB C 19.857 0.300 1 1117 109 109 ALA N N 129.800 0.300 1 1118 110 110 THR H H 8.995 0.030 1 1119 110 110 THR HA H 4.148 0.030 1 1120 110 110 THR HB H 4.741 0.030 1 1121 110 110 THR HG2 H 0.982 0.030 1 1122 110 110 THR C C 176.288 0.300 1 1123 110 110 THR CA C 60.659 0.300 1 1124 110 110 THR CB C 69.481 0.300 1 1125 110 110 THR CG2 C 24.327 0.300 1 1126 110 110 THR N N 111.910 0.300 1 1127 111 111 GLN H H 7.431 0.030 1 1128 111 111 GLN HA H 4.337 0.030 1 1129 111 111 GLN HB2 H 2.156 0.030 2 1130 111 111 GLN HB3 H 1.264 0.030 2 1131 111 111 GLN HE21 H 7.255 0.030 2 1132 111 111 GLN HE22 H 6.794 0.030 2 1133 111 111 GLN HG2 H 2.260 0.030 2 1134 111 111 GLN HG3 H 2.194 0.030 2 1135 111 111 GLN C C 174.211 0.300 1 1136 111 111 GLN CA C 54.368 0.300 1 1137 111 111 GLN CB C 28.604 0.300 1 1138 111 111 GLN CG C 33.821 0.300 1 1139 111 111 GLN N N 118.812 0.300 1 1140 111 111 GLN NE2 N 111.671 0.300 1 1141 112 112 PRO HA H 4.480 0.030 1 1142 112 112 PRO HB2 H 2.208 0.030 2 1143 112 112 PRO HB3 H 1.806 0.030 2 1144 112 112 PRO HD2 H 3.689 0.030 2 1145 112 112 PRO HD3 H 3.542 0.030 2 1146 112 112 PRO HG2 H 1.931 0.030 2 1147 112 112 PRO HG3 H 1.889 0.030 2 1148 112 112 PRO C C 176.639 0.300 1 1149 112 112 PRO CA C 62.506 0.300 1 1150 112 112 PRO CB C 32.076 0.300 1 1151 112 112 PRO CD C 49.960 0.300 1 1152 112 112 PRO CG C 27.426 0.300 1 1153 113 113 GLU H H 8.889 0.030 1 1154 113 113 GLU HA H 4.328 0.030 1 1155 113 113 GLU HB2 H 2.008 0.030 2 1156 113 113 GLU HB3 H 1.833 0.030 2 1157 113 113 GLU HG2 H 2.228 0.030 1 1158 113 113 GLU HG3 H 2.228 0.030 1 1159 113 113 GLU C C 176.319 0.300 1 1160 113 113 GLU CA C 56.497 0.300 1 1161 113 113 GLU CB C 31.063 0.300 1 1162 113 113 GLU CG C 36.885 0.300 1 1163 113 113 GLU N N 121.158 0.300 1 1164 114 114 SER H H 8.408 0.030 1 1165 114 114 SER HA H 4.448 0.030 1 1166 114 114 SER HB2 H 3.800 0.030 2 1167 114 114 SER C C 174.487 0.300 1 1168 114 114 SER CA C 58.151 0.300 1 1169 114 114 SER CB C 63.944 0.300 1 1170 114 114 SER N N 117.769 0.300 1 1171 115 115 GLY H H 8.278 0.030 1 1172 115 115 GLY HA2 H 4.116 0.030 2 1173 115 115 GLY HA3 H 4.056 0.030 2 1174 115 115 GLY C C 171.719 0.300 1 1175 115 115 GLY CA C 44.611 0.300 1 1176 115 115 GLY N N 110.842 0.300 1 stop_ save_