data_10162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 23th filamin domain from human Filamin-B ; _BMRB_accession_number 10162 _BMRB_flat_file_name bmr10162.str _Entry_type new _Submission_date 2007-12-28 _Accession_date 2008-01-06 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 612 "13C chemical shifts" 453 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 23th filamin domain from human Filamin-B' _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Filamin-B $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 'filamin domain, Filamin 23' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSSGSSGFKVRVGEPGQAGN PALVSAYGTGLEGGTTGIQS EFFINTTRAGPGTLSVTIEG PSKVKMDCQETPEGYKVMYT PMAPGNYLISVKYGGPNHIV GSPFKAKVTGQRLVSPGSAN ETSSI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 LYS 10 VAL 11 ARG 12 VAL 13 GLY 14 GLU 15 PRO 16 GLY 17 GLN 18 ALA 19 GLY 20 ASN 21 PRO 22 ALA 23 LEU 24 VAL 25 SER 26 ALA 27 TYR 28 GLY 29 THR 30 GLY 31 LEU 32 GLU 33 GLY 34 GLY 35 THR 36 THR 37 GLY 38 ILE 39 GLN 40 SER 41 GLU 42 PHE 43 PHE 44 ILE 45 ASN 46 THR 47 THR 48 ARG 49 ALA 50 GLY 51 PRO 52 GLY 53 THR 54 LEU 55 SER 56 VAL 57 THR 58 ILE 59 GLU 60 GLY 61 PRO 62 SER 63 LYS 64 VAL 65 LYS 66 MET 67 ASP 68 CYS 69 GLN 70 GLU 71 THR 72 PRO 73 GLU 74 GLY 75 TYR 76 LYS 77 VAL 78 MET 79 TYR 80 THR 81 PRO 82 MET 83 ALA 84 PRO 85 GLY 86 ASN 87 TYR 88 LEU 89 ILE 90 SER 91 VAL 92 LYS 93 TYR 94 GLY 95 GLY 96 PRO 97 ASN 98 HIS 99 ILE 100 VAL 101 GLY 102 SER 103 PRO 104 PHE 105 LYS 106 ALA 107 LYS 108 VAL 109 THR 110 GLY 111 GLN 112 ARG 113 LEU 114 VAL 115 SER 116 PRO 117 GLY 118 SER 119 ALA 120 ASN 121 GLU 122 THR 123 SER 124 SER 125 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EEC "Solution Structure Of The 23th Filamin Domain From Human Filamin-B" 100.00 125 100.00 100.00 8.35e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P060619-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name Filamin-B _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 LYS N N 120.806 0.300 1 2 9 9 LYS H H 8.548 0.030 1 3 9 9 LYS CA C 56.358 0.300 1 4 9 9 LYS HA H 4.261 0.030 1 5 9 9 LYS CB C 32.673 0.300 1 6 9 9 LYS HB3 H 1.839 0.030 2 7 9 9 LYS CG C 25.189 0.300 1 8 9 9 LYS HG3 H 1.468 0.030 2 9 9 9 LYS CD C 29.357 0.300 1 10 9 9 LYS HD3 H 1.740 0.030 1 11 9 9 LYS CE C 42.315 0.300 1 12 9 9 LYS HE3 H 3.112 0.030 1 13 9 9 LYS HB2 H 1.694 0.030 2 14 9 9 LYS HD2 H 1.740 0.030 1 15 9 9 LYS HE2 H 3.112 0.030 1 16 9 9 LYS HG2 H 1.297 0.030 2 17 10 10 VAL HA H 4.307 0.030 1 18 10 10 VAL CB C 34.845 0.300 1 19 10 10 VAL HB H 1.943 0.030 1 20 10 10 VAL CG1 C 20.641 0.300 2 21 10 10 VAL HG1 H 0.838 0.030 1 22 11 11 ARG N N 125.757 0.300 1 23 11 11 ARG H H 8.546 0.030 1 24 11 11 ARG CA C 55.966 0.300 1 25 11 11 ARG HA H 4.463 0.030 1 26 11 11 ARG CB C 30.834 0.300 1 27 11 11 ARG HB3 H 1.831 0.030 2 28 11 11 ARG CG C 27.293 0.300 1 29 11 11 ARG HG3 H 1.535 0.030 1 30 11 11 ARG CD C 43.384 0.300 1 31 11 11 ARG HD3 H 3.129 0.030 1 32 11 11 ARG HB2 H 1.714 0.030 2 33 11 11 ARG HD2 H 3.129 0.030 1 34 11 11 ARG HG2 H 1.535 0.030 1 35 12 12 VAL CA C 62.370 0.300 1 36 12 12 VAL HA H 4.205 0.030 1 37 12 12 VAL CB C 32.571 0.300 1 38 12 12 VAL CG1 C 21.521 0.300 2 39 12 12 VAL HG1 H 1.012 0.030 1 40 12 12 VAL CG2 C 21.445 0.300 2 41 12 12 VAL HG2 H 1.075 0.030 1 42 13 13 GLY N N 113.294 0.300 1 43 13 13 GLY H H 8.608 0.030 1 44 13 13 GLY CA C 44.973 0.300 1 45 13 13 GLY HA3 H 4.024 0.030 2 46 13 13 GLY HA2 H 3.891 0.030 2 47 14 14 GLU N N 120.644 0.300 1 48 14 14 GLU H H 8.139 0.030 1 49 14 14 GLU CA C 54.101 0.300 1 50 14 14 GLU HA H 4.626 0.030 1 51 14 14 GLU CB C 30.026 0.300 1 52 14 14 GLU HB3 H 2.038 0.030 2 53 14 14 GLU CG C 35.826 0.300 1 54 14 14 GLU HG3 H 2.269 0.030 1 55 14 14 GLU HB2 H 1.810 0.030 2 56 14 14 GLU HG2 H 2.269 0.030 1 57 15 15 PRO CA C 63.731 0.300 1 58 15 15 PRO HA H 4.319 0.030 1 59 15 15 PRO CB C 31.974 0.300 1 60 15 15 PRO HB3 H 1.917 0.030 2 61 15 15 PRO CG C 27.545 0.300 1 62 15 15 PRO HG3 H 2.084 0.030 2 63 15 15 PRO CD C 50.712 0.300 1 64 15 15 PRO HD3 H 3.706 0.030 2 65 15 15 PRO C C 177.450 0.300 1 66 15 15 PRO HB2 H 2.262 0.030 2 67 15 15 PRO HD2 H 3.830 0.030 2 68 15 15 PRO HG2 H 1.941 0.030 2 69 16 16 GLY N N 109.768 0.300 1 70 16 16 GLY H H 8.577 0.030 1 71 16 16 GLY CA C 45.424 0.300 1 72 16 16 GLY HA3 H 3.804 0.030 2 73 16 16 GLY C C 174.160 0.300 1 74 16 16 GLY HA2 H 4.086 0.030 2 75 17 17 GLN N N 119.726 0.300 1 76 17 17 GLN H H 7.868 0.030 1 77 17 17 GLN CA C 55.403 0.300 1 78 17 17 GLN HA H 4.389 0.030 1 79 17 17 GLN CB C 29.894 0.300 1 80 17 17 GLN HB3 H 1.976 0.030 2 81 17 17 GLN CG C 33.807 0.300 1 82 17 17 GLN HG3 H 2.359 0.030 1 83 17 17 GLN NE2 N 112.690 0.300 1 84 17 17 GLN HE21 H 7.585 0.030 2 85 17 17 GLN HE22 H 6.900 0.030 2 86 17 17 GLN C C 175.290 0.300 1 87 17 17 GLN HB2 H 2.121 0.030 2 88 17 17 GLN HG2 H 2.359 0.030 1 89 18 18 ALA N N 125.593 0.300 1 90 18 18 ALA H H 8.469 0.030 1 91 18 18 ALA CA C 52.389 0.300 1 92 18 18 ALA HA H 4.448 0.030 1 93 18 18 ALA CB C 19.959 0.300 1 94 18 18 ALA HB H 1.436 0.030 1 95 18 18 ALA C C 177.464 0.300 1 96 19 19 GLY N N 109.162 0.300 1 97 19 19 GLY H H 8.294 0.030 1 98 19 19 GLY CA C 45.270 0.300 1 99 19 19 GLY HA3 H 3.853 0.030 2 100 19 19 GLY C C 173.012 0.300 1 101 19 19 GLY HA2 H 4.207 0.030 2 102 20 20 ASN N N 118.861 0.300 1 103 20 20 ASN H H 8.479 0.030 1 104 20 20 ASN CA C 50.128 0.300 1 105 20 20 ASN HA H 5.236 0.030 1 106 20 20 ASN CB C 39.697 0.300 1 107 20 20 ASN HB3 H 2.852 0.030 2 108 20 20 ASN ND2 N 111.711 0.300 1 109 20 20 ASN HD21 H 7.200 0.030 2 110 20 20 ASN HD22 H 7.802 0.030 2 111 20 20 ASN C C 174.482 0.300 1 112 20 20 ASN HB2 H 3.060 0.030 2 113 21 21 PRO CA C 64.588 0.300 1 114 21 21 PRO HA H 4.312 0.030 1 115 21 21 PRO CB C 31.950 0.300 1 116 21 21 PRO HB3 H 2.114 0.030 2 117 21 21 PRO CG C 27.311 0.300 1 118 21 21 PRO HG3 H 2.195 0.030 2 119 21 21 PRO CD C 51.201 0.300 1 120 21 21 PRO HD3 H 4.029 0.030 2 121 21 21 PRO C C 177.141 0.300 1 122 21 21 PRO HB2 H 2.581 0.030 2 123 21 21 PRO HD2 H 4.120 0.030 2 124 21 21 PRO HG2 H 2.137 0.030 2 125 22 22 ALA N N 118.898 0.300 1 126 22 22 ALA H H 7.918 0.030 1 127 22 22 ALA CA C 53.499 0.300 1 128 22 22 ALA HA H 4.386 0.030 1 129 22 22 ALA CB C 18.288 0.300 1 130 22 22 ALA HB H 1.445 0.030 1 131 22 22 ALA C C 178.115 0.300 1 132 23 23 LEU N N 116.219 0.300 1 133 23 23 LEU H H 7.696 0.030 1 134 23 23 LEU CA C 53.851 0.300 1 135 23 23 LEU HA H 4.475 0.030 1 136 23 23 LEU CB C 41.958 0.300 1 137 23 23 LEU HB3 H 1.576 0.030 1 138 23 23 LEU CG C 27.048 0.300 1 139 23 23 LEU HG H 1.470 0.030 1 140 23 23 LEU CD1 C 25.959 0.300 2 141 23 23 LEU HD1 H 1.006 0.030 1 142 23 23 LEU CD2 C 22.185 0.300 2 143 23 23 LEU HD2 H 0.800 0.030 1 144 23 23 LEU C C 176.653 0.300 1 145 23 23 LEU HB2 H 1.576 0.030 1 146 24 24 VAL N N 122.233 0.300 1 147 24 24 VAL H H 7.207 0.030 1 148 24 24 VAL CA C 62.768 0.300 1 149 24 24 VAL HA H 4.081 0.030 1 150 24 24 VAL CB C 32.408 0.300 1 151 24 24 VAL HB H 1.892 0.030 1 152 24 24 VAL CG1 C 23.025 0.300 2 153 24 24 VAL HG1 H 0.701 0.030 1 154 24 24 VAL CG2 C 23.360 0.300 2 155 24 24 VAL HG2 H 0.333 0.030 1 156 24 24 VAL C C 174.702 0.300 1 157 25 25 SER N N 120.181 0.300 1 158 25 25 SER H H 8.109 0.030 1 159 25 25 SER CA C 56.489 0.300 1 160 25 25 SER HA H 5.159 0.030 1 161 25 25 SER CB C 66.443 0.300 1 162 25 25 SER HB3 H 3.984 0.030 2 163 25 25 SER C C 172.102 0.300 1 164 25 25 SER HB2 H 3.899 0.030 2 165 26 26 ALA N N 124.850 0.300 1 166 26 26 ALA H H 8.839 0.030 1 167 26 26 ALA CA C 50.395 0.300 1 168 26 26 ALA HA H 5.796 0.030 1 169 26 26 ALA CB C 22.868 0.300 1 170 26 26 ALA HB H 1.228 0.030 1 171 26 26 ALA C C 175.694 0.300 1 172 27 27 TYR N N 117.541 0.300 1 173 27 27 TYR H H 8.831 0.030 1 174 27 27 TYR CA C 56.610 0.300 1 175 27 27 TYR HA H 4.851 0.030 1 176 27 27 TYR CB C 39.737 0.300 1 177 27 27 TYR HB3 H 3.067 0.030 2 178 27 27 TYR CD1 C 133.845 0.300 1 179 27 27 TYR HD1 H 6.943 0.030 1 180 27 27 TYR CD2 C 133.845 0.300 1 181 27 27 TYR HD2 H 6.943 0.030 1 182 27 27 TYR CE1 C 118.111 0.300 1 183 27 27 TYR HE1 H 6.607 0.030 1 184 27 27 TYR CE2 C 118.111 0.300 1 185 27 27 TYR HE2 H 6.607 0.030 1 186 27 27 TYR C C 173.299 0.300 1 187 27 27 TYR HB2 H 3.223 0.030 2 188 28 28 GLY N N 108.355 0.300 1 189 28 28 GLY H H 8.788 0.030 1 190 28 28 GLY CA C 44.056 0.300 1 191 28 28 GLY HA3 H 4.304 0.030 2 192 28 28 GLY C C 176.208 0.300 1 193 28 28 GLY HA2 H 5.047 0.030 2 194 29 29 THR N N 115.659 0.300 1 195 29 29 THR H H 9.027 0.030 1 196 29 29 THR CA C 65.419 0.300 1 197 29 29 THR HA H 4.171 0.030 1 198 29 29 THR CB C 68.659 0.300 1 199 29 29 THR HB H 4.446 0.030 1 200 29 29 THR CG2 C 22.671 0.300 1 201 29 29 THR HG2 H 1.480 0.030 1 202 29 29 THR C C 178.141 0.300 1 203 30 30 GLY N N 107.400 0.300 1 204 30 30 GLY H H 8.747 0.030 1 205 30 30 GLY CA C 46.719 0.300 1 206 30 30 GLY HA3 H 3.556 0.030 2 207 30 30 GLY C C 173.896 0.300 1 208 30 30 GLY HA2 H 4.483 0.030 2 209 31 31 LEU N N 118.075 0.300 1 210 31 31 LEU H H 7.389 0.030 1 211 31 31 LEU CA C 55.799 0.300 1 212 31 31 LEU HA H 3.778 0.030 1 213 31 31 LEU CB C 41.564 0.300 1 214 31 31 LEU HB3 H 1.037 0.030 2 215 31 31 LEU CG C 25.956 0.300 1 216 31 31 LEU HG H 0.693 0.030 1 217 31 31 LEU CD1 C 23.632 0.300 2 218 31 31 LEU HD1 H -0.048 0.030 1 219 31 31 LEU CD2 C 19.785 0.300 2 220 31 31 LEU HD2 H -0.992 0.030 1 221 31 31 LEU C C 176.045 0.300 1 222 31 31 LEU HB2 H 1.507 0.030 2 223 32 32 GLU N N 112.872 0.300 1 224 32 32 GLU H H 7.509 0.030 1 225 32 32 GLU CA C 56.330 0.300 1 226 32 32 GLU HA H 4.717 0.030 1 227 32 32 GLU CB C 31.924 0.300 1 228 32 32 GLU HB3 H 2.240 0.030 2 229 32 32 GLU CG C 36.534 0.300 1 230 32 32 GLU HG3 H 2.369 0.030 2 231 32 32 GLU C C 177.958 0.300 1 232 32 32 GLU HB2 H 2.159 0.030 2 233 32 32 GLU HG2 H 2.320 0.030 2 234 33 33 GLY N N 107.880 0.300 1 235 33 33 GLY H H 7.822 0.030 1 236 33 33 GLY CA C 45.568 0.300 1 237 33 33 GLY HA3 H 4.125 0.030 2 238 33 33 GLY C C 172.046 0.300 1 239 33 33 GLY HA2 H 4.661 0.030 2 240 34 34 GLY N N 105.841 0.300 1 241 34 34 GLY H H 7.740 0.030 1 242 34 34 GLY CA C 45.215 0.300 1 243 34 34 GLY HA3 H 3.988 0.030 2 244 34 34 GLY C C 171.280 0.300 1 245 34 34 GLY HA2 H 4.030 0.030 2 246 35 35 THR N N 119.173 0.300 1 247 35 35 THR H H 9.363 0.030 1 248 35 35 THR CA C 60.844 0.300 1 249 35 35 THR HA H 5.177 0.030 1 250 35 35 THR CB C 72.095 0.300 1 251 35 35 THR HB H 3.612 0.030 1 252 35 35 THR CG2 C 21.340 0.300 1 253 35 35 THR HG2 H 1.238 0.030 1 254 35 35 THR C C 173.460 0.300 1 255 36 36 THR N N 116.864 0.300 1 256 36 36 THR H H 8.425 0.030 1 257 36 36 THR CA C 62.841 0.300 1 258 36 36 THR HA H 3.701 0.030 1 259 36 36 THR CB C 68.447 0.300 1 260 36 36 THR HB H 3.884 0.030 1 261 36 36 THR CG2 C 23.421 0.300 1 262 36 36 THR HG2 H 0.719 0.030 1 263 36 36 THR C C 175.396 0.300 1 264 37 37 GLY N N 107.461 0.300 1 265 37 37 GLY H H 8.548 0.030 1 266 37 37 GLY CA C 45.434 0.300 1 267 37 37 GLY HA3 H 3.386 0.030 2 268 37 37 GLY C C 172.598 0.300 1 269 37 37 GLY HA2 H 4.024 0.030 2 270 38 38 ILE N N 122.313 0.300 1 271 38 38 ILE H H 7.871 0.030 1 272 38 38 ILE CA C 58.566 0.300 1 273 38 38 ILE HA H 4.274 0.030 1 274 38 38 ILE CB C 38.476 0.300 1 275 38 38 ILE HB H 1.804 0.030 1 276 38 38 ILE CG1 C 26.949 0.300 1 277 38 38 ILE HG13 H 1.254 0.030 2 278 38 38 ILE CG2 C 17.109 0.300 1 279 38 38 ILE HG2 H 0.894 0.030 1 280 38 38 ILE CD1 C 10.982 0.300 1 281 38 38 ILE HD1 H 0.736 0.030 1 282 38 38 ILE C C 175.081 0.300 1 283 38 38 ILE HG12 H 1.099 0.030 2 284 39 39 GLN N N 127.942 0.300 1 285 39 39 GLN H H 8.487 0.030 1 286 39 39 GLN CA C 57.394 0.300 1 287 39 39 GLN HA H 4.312 0.030 1 288 39 39 GLN CB C 31.057 0.300 1 289 39 39 GLN HB3 H 1.860 0.030 2 290 39 39 GLN CG C 35.427 0.300 1 291 39 39 GLN HG3 H 2.043 0.030 2 292 39 39 GLN NE2 N 113.841 0.300 1 293 39 39 GLN HE21 H 7.840 0.030 2 294 39 39 GLN HE22 H 6.850 0.030 2 295 39 39 GLN C C 176.011 0.300 1 296 39 39 GLN HB2 H 1.816 0.030 2 297 39 39 GLN HG2 H 1.882 0.030 2 298 40 40 SER N N 125.784 0.300 1 299 40 40 SER H H 9.167 0.030 1 300 40 40 SER CA C 58.188 0.300 1 301 40 40 SER HA H 4.633 0.030 1 302 40 40 SER CB C 66.149 0.300 1 303 40 40 SER HB3 H 2.534 0.030 2 304 40 40 SER C C 172.625 0.300 1 305 40 40 SER HB2 H 3.432 0.030 2 306 41 41 GLU N N 117.679 0.300 1 307 41 41 GLU H H 8.773 0.030 1 308 41 41 GLU CA C 54.060 0.300 1 309 41 41 GLU HA H 5.629 0.030 1 310 41 41 GLU CB C 34.053 0.300 1 311 41 41 GLU HB3 H 1.618 0.030 2 312 41 41 GLU CG C 35.367 0.300 1 313 41 41 GLU HG3 H 2.043 0.030 2 314 41 41 GLU C C 175.607 0.300 1 315 41 41 GLU HB2 H 1.774 0.030 2 316 41 41 GLU HG2 H 2.007 0.030 2 317 42 42 PHE N N 116.557 0.300 1 318 42 42 PHE H H 8.753 0.030 1 319 42 42 PHE CA C 56.847 0.300 1 320 42 42 PHE HA H 4.743 0.030 1 321 42 42 PHE CB C 40.908 0.300 1 322 42 42 PHE HB3 H 2.670 0.030 2 323 42 42 PHE CD1 C 132.497 0.300 1 324 42 42 PHE HD1 H 6.675 0.030 1 325 42 42 PHE CD2 C 132.497 0.300 1 326 42 42 PHE HD2 H 6.675 0.030 1 327 42 42 PHE CE1 C 129.977 0.300 1 328 42 42 PHE HE1 H 6.808 0.030 1 329 42 42 PHE CE2 C 129.977 0.300 1 330 42 42 PHE HE2 H 6.808 0.030 1 331 42 42 PHE CZ C 128.968 0.300 1 332 42 42 PHE HZ H 6.700 0.030 1 333 42 42 PHE C C 170.204 0.300 1 334 42 42 PHE HB2 H 3.048 0.030 2 335 43 43 PHE N N 118.643 0.300 1 336 43 43 PHE H H 9.234 0.030 1 337 43 43 PHE CA C 57.292 0.300 1 338 43 43 PHE HA H 5.041 0.030 1 339 43 43 PHE CB C 42.583 0.300 1 340 43 43 PHE HB3 H 1.838 0.030 2 341 43 43 PHE CD1 C 132.041 0.300 1 342 43 43 PHE HD1 H 7.051 0.030 1 343 43 43 PHE CD2 C 132.041 0.300 1 344 43 43 PHE HD2 H 7.051 0.030 1 345 43 43 PHE CE1 C 130.669 0.300 1 346 43 43 PHE HE1 H 7.282 0.030 1 347 43 43 PHE CE2 C 130.669 0.300 1 348 43 43 PHE HE2 H 7.282 0.030 1 349 43 43 PHE CZ C 129.358 0.300 1 350 43 43 PHE HZ H 7.174 0.030 1 351 43 43 PHE C C 174.177 0.300 1 352 43 43 PHE HB2 H 2.651 0.030 2 353 44 44 ILE N N 120.124 0.300 1 354 44 44 ILE H H 8.876 0.030 1 355 44 44 ILE CA C 59.698 0.300 1 356 44 44 ILE HA H 4.717 0.030 1 357 44 44 ILE CB C 40.591 0.300 1 358 44 44 ILE HB H 1.806 0.030 1 359 44 44 ILE CG1 C 27.387 0.300 1 360 44 44 ILE HG13 H 1.068 0.030 2 361 44 44 ILE CG2 C 18.477 0.300 1 362 44 44 ILE HG2 H 0.790 0.030 1 363 44 44 ILE CD1 C 15.758 0.300 1 364 44 44 ILE HD1 H 0.900 0.030 1 365 44 44 ILE C C 174.483 0.300 1 366 44 44 ILE HG12 H 1.597 0.030 2 367 45 45 ASN N N 127.058 0.300 1 368 45 45 ASN H H 9.553 0.030 1 369 45 45 ASN CA C 52.099 0.300 1 370 45 45 ASN HA H 5.380 0.030 1 371 45 45 ASN CB C 39.596 0.300 1 372 45 45 ASN HB3 H 2.760 0.030 2 373 45 45 ASN ND2 N 114.340 0.300 1 374 45 45 ASN HD21 H 7.288 0.030 2 375 45 45 ASN HD22 H 7.813 0.030 2 376 45 45 ASN C C 176.821 0.300 1 377 45 45 ASN HB2 H 3.480 0.030 2 378 46 46 THR H H 9.223 0.030 1 379 46 46 THR CA C 61.534 0.300 1 380 46 46 THR HA H 4.368 0.030 1 381 46 46 THR CB C 68.352 0.300 1 382 46 46 THR HB H 4.654 0.030 1 383 46 46 THR CG2 C 22.524 0.300 1 384 46 46 THR HG2 H 1.013 0.030 1 385 46 46 THR C C 176.816 0.300 1 386 47 47 THR N N 116.732 0.300 1 387 47 47 THR H H 8.368 0.030 1 388 47 47 THR CA C 65.916 0.300 1 389 47 47 THR HA H 4.032 0.030 1 390 47 47 THR CB C 69.870 0.300 1 391 47 47 THR HB H 4.226 0.030 1 392 47 47 THR CG2 C 22.088 0.300 1 393 47 47 THR HG2 H 1.554 0.030 1 394 47 47 THR C C 176.865 0.300 1 395 48 48 ARG N N 119.205 0.300 1 396 48 48 ARG H H 8.785 0.030 1 397 48 48 ARG CA C 56.273 0.300 1 398 48 48 ARG HA H 4.488 0.030 1 399 48 48 ARG CB C 30.862 0.300 1 400 48 48 ARG HB3 H 1.766 0.030 2 401 48 48 ARG CG C 27.655 0.300 1 402 48 48 ARG HG3 H 1.780 0.030 2 403 48 48 ARG CD C 43.526 0.300 1 404 48 48 ARG HD3 H 3.237 0.030 1 405 48 48 ARG C C 176.314 0.300 1 406 48 48 ARG HB2 H 2.085 0.030 2 407 48 48 ARG HD2 H 3.237 0.030 1 408 48 48 ARG HG2 H 1.643 0.030 2 409 49 49 ALA N N 120.807 0.300 1 410 49 49 ALA H H 7.440 0.030 1 411 49 49 ALA CA C 53.138 0.300 1 412 49 49 ALA HA H 4.341 0.030 1 413 49 49 ALA CB C 22.427 0.300 1 414 49 49 ALA HB H 1.225 0.030 1 415 49 49 ALA C C 177.914 0.300 1 416 50 50 GLY N N 105.941 0.300 1 417 50 50 GLY H H 7.924 0.030 1 418 50 50 GLY CA C 44.229 0.300 1 419 50 50 GLY HA3 H 4.325 0.030 2 420 50 50 GLY C C 171.089 0.300 1 421 50 50 GLY HA2 H 3.948 0.030 2 422 51 51 PRO CA C 63.140 0.300 1 423 51 51 PRO HA H 4.588 0.030 1 424 51 51 PRO CB C 33.004 0.300 1 425 51 51 PRO HB3 H 1.917 0.030 2 426 51 51 PRO CG C 27.297 0.300 1 427 51 51 PRO HG3 H 2.022 0.030 1 428 51 51 PRO CD C 49.715 0.300 1 429 51 51 PRO HD3 H 3.612 0.030 1 430 51 51 PRO HB2 H 2.290 0.030 2 431 51 51 PRO HD2 H 3.612 0.030 1 432 51 51 PRO HG2 H 2.022 0.030 1 433 52 52 GLY CA C 45.195 0.300 1 434 52 52 GLY HA3 H 3.275 0.030 2 435 52 52 GLY HA2 H 3.852 0.030 2 436 53 53 THR N N 114.003 0.300 1 437 53 53 THR H H 8.049 0.030 1 438 53 53 THR CA C 62.352 0.300 1 439 53 53 THR HA H 4.436 0.030 1 440 53 53 THR CB C 69.631 0.300 1 441 53 53 THR HB H 3.807 0.030 1 442 53 53 THR CG2 C 21.775 0.300 1 443 53 53 THR HG2 H 0.991 0.030 1 444 54 54 LEU CA C 53.891 0.300 1 445 54 54 LEU HA H 5.077 0.030 1 446 54 54 LEU CB C 44.515 0.300 1 447 54 54 LEU CG C 27.447 0.300 1 448 54 54 LEU HG H 1.287 0.030 1 449 54 54 LEU CD1 C 25.595 0.300 2 450 54 54 LEU HD1 H 0.379 0.030 1 451 54 54 LEU CD2 C 24.103 0.300 2 452 54 54 LEU HD2 H 0.934 0.030 1 453 55 55 SER N N 120.726 0.300 1 454 55 55 SER H H 8.783 0.030 1 455 55 55 SER CA C 56.249 0.300 1 456 55 55 SER HA H 5.092 0.030 1 457 55 55 SER CB C 65.032 0.300 1 458 55 55 SER HB3 H 3.577 0.030 1 459 55 55 SER C C 173.165 0.300 1 460 55 55 SER HB2 H 3.577 0.030 1 461 56 56 VAL N N 126.234 0.300 1 462 56 56 VAL H H 8.336 0.030 1 463 56 56 VAL CA C 60.515 0.300 1 464 56 56 VAL HA H 5.134 0.030 1 465 56 56 VAL CB C 34.463 0.300 1 466 56 56 VAL CG1 C 21.421 0.300 2 467 56 56 VAL HG1 H 0.835 0.030 1 468 56 56 VAL C C 174.718 0.300 1 469 57 57 THR N N 120.539 0.300 1 470 57 57 THR H H 8.828 0.030 1 471 57 57 THR CA C 60.580 0.300 1 472 57 57 THR HA H 5.132 0.030 1 473 57 57 THR CB C 72.187 0.300 1 474 57 57 THR HB H 3.959 0.030 1 475 57 57 THR CG2 C 21.768 0.300 1 476 57 57 THR HG2 H 1.139 0.030 1 477 57 57 THR C C 172.970 0.300 1 478 58 58 ILE N N 123.949 0.300 1 479 58 58 ILE H H 9.249 0.030 1 480 58 58 ILE CA C 61.297 0.300 1 481 58 58 ILE HA H 5.001 0.030 1 482 58 58 ILE CB C 39.755 0.300 1 483 58 58 ILE HB H 1.524 0.030 1 484 58 58 ILE CG1 C 27.616 0.300 1 485 58 58 ILE HG13 H 1.382 0.030 2 486 58 58 ILE CG2 C 17.002 0.300 1 487 58 58 ILE HG2 H 0.604 0.030 1 488 58 58 ILE CD1 C 12.879 0.300 1 489 58 58 ILE HD1 H 0.077 0.030 1 490 58 58 ILE C C 174.848 0.300 1 491 58 58 ILE HG12 H 0.818 0.030 2 492 59 59 GLU N N 129.027 0.300 1 493 59 59 GLU H H 8.966 0.030 1 494 59 59 GLU CA C 53.911 0.300 1 495 59 59 GLU HA H 5.427 0.030 1 496 59 59 GLU CB C 33.843 0.300 1 497 59 59 GLU HB3 H 2.088 0.030 2 498 59 59 GLU CG C 36.830 0.300 1 499 59 59 GLU HG3 H 2.202 0.030 1 500 59 59 GLU C C 175.342 0.300 1 501 59 59 GLU HB2 H 1.980 0.030 2 502 59 59 GLU HG2 H 2.202 0.030 1 503 60 60 GLY N N 110.765 0.300 1 504 60 60 GLY H H 8.597 0.030 1 505 60 60 GLY CA C 45.997 0.300 1 506 60 60 GLY HA3 H 3.908 0.030 2 507 60 60 GLY C C 171.205 0.300 1 508 60 60 GLY HA2 H 3.685 0.030 2 509 61 61 PRO CA C 64.057 0.300 1 510 61 61 PRO HA H 4.415 0.030 1 511 61 61 PRO CB C 32.143 0.300 1 512 61 61 PRO HB3 H 1.846 0.030 2 513 61 61 PRO CG C 26.855 0.300 1 514 61 61 PRO HG3 H 1.815 0.030 2 515 61 61 PRO CD C 49.338 0.300 1 516 61 61 PRO HD3 H 1.753 0.030 2 517 61 61 PRO C C 175.925 0.300 1 518 61 61 PRO HB2 H 2.262 0.030 2 519 61 61 PRO HD2 H 2.966 0.030 2 520 61 61 PRO HG2 H 1.550 0.030 2 521 62 62 SER N N 108.413 0.300 1 522 62 62 SER H H 7.144 0.030 1 523 62 62 SER CA C 57.037 0.300 1 524 62 62 SER HA H 4.596 0.030 1 525 62 62 SER CB C 66.522 0.300 1 526 62 62 SER HB3 H 3.823 0.030 2 527 62 62 SER C C 172.446 0.300 1 528 62 62 SER HB2 H 3.766 0.030 2 529 63 63 LYS N N 122.539 0.300 1 530 63 63 LYS H H 8.620 0.030 1 531 63 63 LYS CA C 56.407 0.300 1 532 63 63 LYS HA H 4.267 0.030 1 533 63 63 LYS CB C 32.576 0.300 1 534 63 63 LYS HB3 H 1.844 0.030 2 535 63 63 LYS CG C 25.070 0.300 1 536 63 63 LYS CD C 29.274 0.300 1 537 63 63 LYS CE C 42.297 0.300 1 538 63 63 LYS C C 176.658 0.300 1 539 63 63 LYS HB2 H 1.694 0.030 2 540 63 63 LYS HD2 H 1.680 0.030 2 541 63 63 LYS HE2 H 2.995 0.030 2 542 63 63 LYS HG2 H 1.377 0.030 2 543 64 64 VAL N N 120.278 0.300 1 544 64 64 VAL H H 8.554 0.030 1 545 64 64 VAL CA C 60.425 0.300 1 546 64 64 VAL HA H 4.460 0.030 1 547 64 64 VAL CB C 32.938 0.300 1 548 64 64 VAL HB H 1.957 0.030 1 549 64 64 VAL CG1 C 22.954 0.300 2 550 64 64 VAL HG1 H 0.927 0.030 1 551 64 64 VAL CG2 C 19.915 0.300 2 552 64 64 VAL HG2 H 0.791 0.030 1 553 64 64 VAL C C 176.629 0.300 1 554 65 65 LYS N N 121.529 0.300 1 555 65 65 LYS H H 8.139 0.030 1 556 65 65 LYS CA C 56.181 0.300 1 557 65 65 LYS HA H 4.474 0.030 1 558 65 65 LYS CB C 32.960 0.300 1 559 65 65 LYS HB3 H 1.828 0.030 2 560 65 65 LYS CG C 24.994 0.300 1 561 65 65 LYS HG3 H 1.488 0.030 2 562 65 65 LYS CD C 29.274 0.300 1 563 65 65 LYS CE C 42.163 0.300 1 564 65 65 LYS HE3 H 2.998 0.030 1 565 65 65 LYS C C 176.309 0.300 1 566 65 65 LYS HB2 H 1.765 0.030 2 567 65 65 LYS HD2 H 1.700 0.030 2 568 65 65 LYS HE2 H 2.998 0.030 1 569 65 65 LYS HG2 H 1.393 0.030 2 570 66 66 MET N N 125.382 0.300 1 571 66 66 MET H H 8.811 0.030 1 572 66 66 MET CA C 55.055 0.300 1 573 66 66 MET HA H 5.393 0.030 1 574 66 66 MET CB C 37.398 0.300 1 575 66 66 MET HB3 H 1.927 0.030 2 576 66 66 MET CG C 31.773 0.300 1 577 66 66 MET HG3 H 2.319 0.030 2 578 66 66 MET CE C 17.122 0.300 1 579 66 66 MET HE H 1.763 0.030 1 580 66 66 MET C C 174.026 0.300 1 581 66 66 MET HB2 H 1.848 0.030 2 582 66 66 MET HG2 H 2.250 0.030 2 583 67 67 ASP N N 122.714 0.300 1 584 67 67 ASP H H 8.995 0.030 1 585 67 67 ASP CA C 53.231 0.300 1 586 67 67 ASP HA H 4.854 0.030 1 587 67 67 ASP CB C 44.980 0.300 1 588 67 67 ASP HB3 H 2.485 0.030 1 589 67 67 ASP HB2 H 2.485 0.030 1 590 68 68 CYS H H 8.412 0.030 1 591 68 68 CYS CA C 56.390 0.300 1 592 68 68 CYS HA H 5.288 0.030 1 593 68 68 CYS CB C 28.188 0.300 1 594 68 68 CYS HB3 H 2.940 0.030 1 595 68 68 CYS HB2 H 2.940 0.030 1 596 69 69 GLN N N 125.044 0.300 1 597 69 69 GLN H H 9.116 0.030 1 598 69 69 GLN CA C 56.403 0.300 1 599 69 69 GLN HA H 5.290 0.030 1 600 69 69 GLN CB C 32.962 0.300 1 601 69 69 GLN CG C 33.355 0.300 1 602 69 69 GLN NE2 N 112.166 0.300 1 603 69 69 GLN HE21 H 7.688 0.030 2 604 69 69 GLN HE22 H 6.786 0.030 2 605 69 69 GLN HB2 H 1.815 0.030 2 606 69 69 GLN HG2 H 2.240 0.030 2 607 70 70 GLU N N 125.781 0.300 1 608 70 70 GLU H H 8.979 0.030 1 609 70 70 GLU CA C 56.418 0.300 1 610 70 70 GLU HA H 4.029 0.030 1 611 70 70 GLU CB C 30.585 0.300 1 612 70 70 GLU HB3 H 1.907 0.030 1 613 70 70 GLU CG C 36.745 0.300 1 614 70 70 GLU HG3 H 2.148 0.030 1 615 70 70 GLU HB2 H 1.907 0.030 1 616 70 70 GLU HG2 H 2.148 0.030 1 617 71 71 THR N N 118.158 0.300 1 618 71 71 THR H H 8.455 0.030 1 619 71 71 THR CA C 59.209 0.300 1 620 71 71 THR HA H 4.902 0.030 1 621 71 71 THR CB C 68.926 0.300 1 622 71 71 THR HB H 4.611 0.030 1 623 71 71 THR CG2 C 22.167 0.300 1 624 71 71 THR HG2 H 1.197 0.030 1 625 72 72 PRO CA C 65.290 0.300 1 626 72 72 PRO HA H 4.296 0.030 1 627 72 72 PRO CB C 31.848 0.300 1 628 72 72 PRO HB3 H 2.411 0.030 2 629 72 72 PRO CG C 28.144 0.300 1 630 72 72 PRO HG3 H 1.935 0.030 2 631 72 72 PRO CD C 50.681 0.300 1 632 72 72 PRO HD3 H 3.770 0.030 2 633 72 72 PRO C C 177.476 0.300 1 634 72 72 PRO HB2 H 1.837 0.030 2 635 72 72 PRO HD2 H 3.863 0.030 2 636 72 72 PRO HG2 H 2.121 0.030 2 637 73 73 GLU N N 112.293 0.300 1 638 73 73 GLU H H 7.562 0.030 1 639 73 73 GLU CA C 55.577 0.300 1 640 73 73 GLU HA H 4.370 0.030 1 641 73 73 GLU CB C 30.787 0.300 1 642 73 73 GLU HB3 H 2.160 0.030 2 643 73 73 GLU CG C 36.527 0.300 1 644 73 73 GLU HG3 H 2.257 0.030 2 645 73 73 GLU C C 174.438 0.300 1 646 73 73 GLU HB2 H 2.002 0.030 2 647 73 73 GLU HG2 H 2.131 0.030 2 648 74 74 GLY N N 109.223 0.300 1 649 74 74 GLY H H 7.324 0.030 1 650 74 74 GLY CA C 47.146 0.300 1 651 74 74 GLY HA3 H 3.551 0.030 2 652 74 74 GLY C C 172.589 0.300 1 653 74 74 GLY HA2 H 4.949 0.030 2 654 75 75 TYR N N 123.117 0.300 1 655 75 75 TYR H H 8.883 0.030 1 656 75 75 TYR CA C 57.566 0.300 1 657 75 75 TYR HA H 5.171 0.030 1 658 75 75 TYR CB C 44.111 0.300 1 659 75 75 TYR HB3 H 2.281 0.030 2 660 75 75 TYR CD1 C 132.514 0.300 1 661 75 75 TYR HD1 H 6.703 0.030 1 662 75 75 TYR CD2 C 132.514 0.300 1 663 75 75 TYR HD2 H 6.703 0.030 1 664 75 75 TYR CE1 C 118.269 0.300 1 665 75 75 TYR HE1 H 6.826 0.030 1 666 75 75 TYR CE2 C 118.269 0.300 1 667 75 75 TYR HE2 H 6.826 0.030 1 668 75 75 TYR C C 173.925 0.300 1 669 75 75 TYR HB2 H 2.718 0.030 2 670 76 76 LYS N N 124.633 0.300 1 671 76 76 LYS H H 9.390 0.030 1 672 76 76 LYS CA C 55.055 0.300 1 673 76 76 LYS HA H 4.594 0.030 1 674 76 76 LYS CB C 35.124 0.300 1 675 76 76 LYS HB3 H 1.630 0.030 2 676 76 76 LYS CG C 25.014 0.300 1 677 76 76 LYS HG3 H 0.813 0.030 2 678 76 76 LYS CD C 29.603 0.300 1 679 76 76 LYS HD3 H 1.518 0.030 2 680 76 76 LYS CE C 42.174 0.300 1 681 76 76 LYS HE3 H 2.683 0.030 1 682 76 76 LYS C C 174.069 0.300 1 683 76 76 LYS HB2 H 1.517 0.030 2 684 76 76 LYS HD2 H 1.595 0.030 2 685 76 76 LYS HE2 H 2.683 0.030 1 686 76 76 LYS HG2 H 0.748 0.030 2 687 77 77 VAL N N 126.947 0.300 1 688 77 77 VAL H H 8.607 0.030 1 689 77 77 VAL CA C 60.894 0.300 1 690 77 77 VAL HA H 4.280 0.030 1 691 77 77 VAL CB C 32.115 0.300 1 692 77 77 VAL HB H -0.078 0.030 1 693 77 77 VAL CG1 C 22.302 0.300 2 694 77 77 VAL HG1 H 0.551 0.030 1 695 77 77 VAL CG2 C 21.638 0.300 2 696 77 77 VAL HG2 H 0.488 0.030 1 697 77 77 VAL C C 173.586 0.300 1 698 78 78 MET N N 123.986 0.300 1 699 78 78 MET H H 8.410 0.030 1 700 78 78 MET CA C 53.236 0.300 1 701 78 78 MET HA H 5.290 0.030 1 702 78 78 MET CB C 36.873 0.300 1 703 78 78 MET HB3 H 1.798 0.030 2 704 78 78 MET CG C 32.442 0.300 1 705 78 78 MET HG3 H 2.396 0.030 2 706 78 78 MET CE C 16.975 0.300 1 707 78 78 MET HE H 1.754 0.030 1 708 78 78 MET C C 174.665 0.300 1 709 78 78 MET HB2 H 1.688 0.030 2 710 78 78 MET HG2 H 1.986 0.030 2 711 79 79 TYR N N 117.488 0.300 1 712 79 79 TYR H H 8.739 0.030 1 713 79 79 TYR CA C 56.011 0.300 1 714 79 79 TYR HA H 5.654 0.030 1 715 79 79 TYR CB C 41.549 0.300 1 716 79 79 TYR HB3 H 2.711 0.030 2 717 79 79 TYR CD1 C 132.453 0.300 1 718 79 79 TYR HD1 H 6.379 0.030 1 719 79 79 TYR CD2 C 132.453 0.300 1 720 79 79 TYR HD2 H 6.379 0.030 1 721 79 79 TYR CE1 C 116.280 0.300 1 722 79 79 TYR HE1 H 6.137 0.030 1 723 79 79 TYR CE2 C 116.280 0.300 1 724 79 79 TYR HE2 H 6.137 0.030 1 725 79 79 TYR C C 172.927 0.300 1 726 79 79 TYR HB2 H 2.555 0.030 2 727 80 80 THR H H 8.383 0.030 1 728 80 80 THR CA C 58.611 0.300 1 729 80 80 THR HA H 4.978 0.030 1 730 80 80 THR CB C 70.258 0.300 1 731 80 80 THR HB H 3.955 0.030 1 732 80 80 THR CG2 C 20.164 0.300 1 733 80 80 THR HG2 H 0.820 0.030 1 734 81 81 PRO CA C 61.531 0.300 1 735 81 81 PRO HA H 4.532 0.030 1 736 81 81 PRO CB C 32.774 0.300 1 737 81 81 PRO HB3 H 1.440 0.030 2 738 81 81 PRO CG C 27.010 0.300 1 739 81 81 PRO HG3 H 1.943 0.030 2 740 81 81 PRO CD C 50.607 0.300 1 741 81 81 PRO HD3 H 3.456 0.030 2 742 81 81 PRO HB2 H 1.700 0.030 2 743 81 81 PRO HD2 H 4.319 0.030 2 744 81 81 PRO HG2 H 1.671 0.030 2 745 82 82 MET N N 117.590 0.300 1 746 82 82 MET H H 8.299 0.030 1 747 82 82 MET CA C 53.882 0.300 1 748 82 82 MET HA H 4.851 0.030 1 749 82 82 MET CB C 33.337 0.300 1 750 82 82 MET HB3 H 1.859 0.030 2 751 82 82 MET CG C 32.386 0.300 1 752 82 82 MET HG3 H 2.749 0.030 2 753 82 82 MET CE C 17.573 0.300 1 754 82 82 MET HE H 2.052 0.030 1 755 82 82 MET C C 174.339 0.300 1 756 82 82 MET HB2 H 2.292 0.030 2 757 82 82 MET HG2 H 2.475 0.030 2 758 83 83 ALA N N 119.196 0.300 1 759 83 83 ALA H H 7.076 0.030 1 760 83 83 ALA CA C 49.425 0.300 1 761 83 83 ALA HA H 4.791 0.030 1 762 83 83 ALA CB C 20.682 0.300 1 763 83 83 ALA HB H 1.322 0.030 1 764 83 83 ALA C C 174.364 0.300 1 765 84 84 PRO CA C 62.540 0.300 1 766 84 84 PRO HA H 4.244 0.030 1 767 84 84 PRO CB C 32.615 0.300 1 768 84 84 PRO HB3 H 2.159 0.030 1 769 84 84 PRO CG C 26.777 0.300 1 770 84 84 PRO HG3 H 2.023 0.030 2 771 84 84 PRO CD C 50.335 0.300 1 772 84 84 PRO HD3 H 3.386 0.030 2 773 84 84 PRO C C 174.214 0.300 1 774 84 84 PRO HB2 H 2.159 0.030 1 775 84 84 PRO HD2 H 3.702 0.030 2 776 84 84 PRO HG2 H 2.181 0.030 2 777 85 85 GLY N N 105.436 0.300 1 778 85 85 GLY H H 8.855 0.030 1 779 85 85 GLY CA C 44.156 0.300 1 780 85 85 GLY HA3 H 3.761 0.030 2 781 85 85 GLY C C 171.801 0.300 1 782 85 85 GLY HA2 H 4.515 0.030 2 783 86 86 ASN N N 119.042 0.300 1 784 86 86 ASN H H 8.573 0.030 1 785 86 86 ASN CA C 52.499 0.300 1 786 86 86 ASN HA H 5.517 0.030 1 787 86 86 ASN CB C 39.390 0.300 1 788 86 86 ASN HB3 H 2.637 0.030 2 789 86 86 ASN ND2 N 113.645 0.300 1 790 86 86 ASN HD21 H 7.604 0.030 2 791 86 86 ASN HD22 H 6.886 0.030 2 792 86 86 ASN C C 174.453 0.300 1 793 86 86 ASN HB2 H 2.522 0.030 2 794 87 87 TYR N N 122.992 0.300 1 795 87 87 TYR H H 9.369 0.030 1 796 87 87 TYR CA C 56.366 0.300 1 797 87 87 TYR HA H 5.140 0.030 1 798 87 87 TYR CB C 40.267 0.300 1 799 87 87 TYR HB3 H 2.465 0.030 2 800 87 87 TYR CD1 C 133.767 0.300 1 801 87 87 TYR HD1 H 6.998 0.030 1 802 87 87 TYR CD2 C 133.767 0.300 1 803 87 87 TYR HD2 H 6.998 0.030 1 804 87 87 TYR CE1 C 116.557 0.300 1 805 87 87 TYR HE1 H 6.808 0.030 1 806 87 87 TYR CE2 C 116.557 0.300 1 807 87 87 TYR HE2 H 6.808 0.030 1 808 87 87 TYR C C 174.332 0.300 1 809 87 87 TYR HB2 H 2.808 0.030 2 810 88 88 LEU N N 124.720 0.300 1 811 88 88 LEU H H 9.306 0.030 1 812 88 88 LEU CA C 53.426 0.300 1 813 88 88 LEU HA H 5.253 0.030 1 814 88 88 LEU CB C 44.487 0.300 1 815 88 88 LEU HB3 H 1.607 0.030 2 816 88 88 LEU CG C 27.373 0.300 1 817 88 88 LEU HG H 1.463 0.030 1 818 88 88 LEU CD1 C 24.626 0.300 1 819 88 88 LEU HD1 H 0.805 0.030 1 820 88 88 LEU CD2 C 24.626 0.300 1 821 88 88 LEU HD2 H 0.805 0.030 1 822 88 88 LEU C C 177.074 0.300 1 823 88 88 LEU HB2 H 1.554 0.030 2 824 89 89 ILE N N 130.469 0.300 1 825 89 89 ILE H H 9.807 0.030 1 826 89 89 ILE CA C 60.792 0.300 1 827 89 89 ILE HA H 4.851 0.030 1 828 89 89 ILE CB C 39.662 0.300 1 829 89 89 ILE HB H 1.923 0.030 1 830 89 89 ILE CG1 C 27.402 0.300 1 831 89 89 ILE HG13 H 0.614 0.030 2 832 89 89 ILE CG2 C 17.121 0.300 1 833 89 89 ILE HG2 H 0.497 0.030 1 834 89 89 ILE CD1 C 14.823 0.300 1 835 89 89 ILE HD1 H 0.585 0.030 1 836 89 89 ILE C C 175.605 0.300 1 837 89 89 ILE HG12 H 1.448 0.030 2 838 90 90 SER N N 123.845 0.300 1 839 90 90 SER H H 9.540 0.030 1 840 90 90 SER CA C 58.036 0.300 1 841 90 90 SER HA H 5.199 0.030 1 842 90 90 SER CB C 64.133 0.300 1 843 90 90 SER HB3 H 3.452 0.030 2 844 90 90 SER C C 173.566 0.300 1 845 90 90 SER HB2 H 3.952 0.030 2 846 91 91 VAL N N 128.427 0.300 1 847 91 91 VAL H H 9.918 0.030 1 848 91 91 VAL CA C 61.447 0.300 1 849 91 91 VAL HA H 4.837 0.030 1 850 91 91 VAL CB C 33.761 0.300 1 851 91 91 VAL HB H 2.137 0.030 1 852 91 91 VAL CG1 C 22.382 0.300 2 853 91 91 VAL HG1 H 0.957 0.030 1 854 91 91 VAL CG2 C 20.701 0.300 2 855 91 91 VAL HG2 H 1.016 0.030 1 856 91 91 VAL C C 173.296 0.300 1 857 92 92 LYS N N 125.779 0.300 1 858 92 92 LYS H H 8.892 0.030 1 859 92 92 LYS CA C 54.468 0.300 1 860 92 92 LYS HA H 5.065 0.030 1 861 92 92 LYS CB C 36.106 0.300 1 862 92 92 LYS HB3 H 1.732 0.030 2 863 92 92 LYS CG C 24.822 0.300 1 864 92 92 LYS HG3 H 0.380 0.030 2 865 92 92 LYS CD C 29.475 0.300 1 866 92 92 LYS HD3 H 1.052 0.030 2 867 92 92 LYS CE C 41.587 0.300 1 868 92 92 LYS HE3 H 2.202 0.030 2 869 92 92 LYS C C 175.189 0.300 1 870 92 92 LYS HB2 H 1.393 0.030 2 871 92 92 LYS HD2 H 1.172 0.030 2 872 92 92 LYS HE2 H 1.926 0.030 2 873 92 92 LYS HG2 H 0.715 0.030 2 874 93 93 TYR N N 120.251 0.300 1 875 93 93 TYR H H 8.061 0.030 1 876 93 93 TYR CA C 56.884 0.300 1 877 93 93 TYR HA H 5.522 0.030 1 878 93 93 TYR CB C 44.120 0.300 1 879 93 93 TYR HB3 H 2.581 0.030 1 880 93 93 TYR CD1 C 132.201 0.300 1 881 93 93 TYR HD1 H 6.674 0.030 1 882 93 93 TYR CD2 C 132.201 0.300 1 883 93 93 TYR HD2 H 6.674 0.030 1 884 93 93 TYR CE1 C 117.575 0.300 1 885 93 93 TYR HE1 H 6.531 0.030 1 886 93 93 TYR CE2 C 117.575 0.300 1 887 93 93 TYR HE2 H 6.531 0.030 1 888 93 93 TYR C C 175.517 0.300 1 889 93 93 TYR HB2 H 2.581 0.030 1 890 94 94 GLY N N 114.148 0.300 1 891 94 94 GLY H H 8.274 0.030 1 892 94 94 GLY CA C 45.959 0.300 1 893 94 94 GLY HA3 H 3.705 0.030 2 894 94 94 GLY C C 173.595 0.300 1 895 94 94 GLY HA2 H 3.877 0.030 2 896 95 95 GLY N N 107.010 0.300 1 897 95 95 GLY H H 7.452 0.030 1 898 95 95 GLY CA C 43.954 0.300 1 899 95 95 GLY HA3 H 3.618 0.030 2 900 95 95 GLY C C 172.825 0.300 1 901 95 95 GLY HA2 H 4.507 0.030 2 902 96 96 PRO CA C 63.221 0.300 1 903 96 96 PRO HA H 4.413 0.030 1 904 96 96 PRO CB C 30.955 0.300 1 905 96 96 PRO HB3 H 1.952 0.030 2 906 96 96 PRO CG C 26.156 0.300 1 907 96 96 PRO HG3 H 1.987 0.030 2 908 96 96 PRO CD C 49.317 0.300 1 909 96 96 PRO HD3 H 3.608 0.030 2 910 96 96 PRO C C 175.901 0.300 1 911 96 96 PRO HB2 H 2.161 0.030 2 912 96 96 PRO HD2 H 3.465 0.030 2 913 96 96 PRO HG2 H 1.756 0.030 2 914 97 97 ASN N N 119.942 0.300 1 915 97 97 ASN H H 8.172 0.030 1 916 97 97 ASN CA C 52.914 0.300 1 917 97 97 ASN HA H 4.864 0.030 1 918 97 97 ASN CB C 39.806 0.300 1 919 97 97 ASN HB3 H 2.722 0.030 2 920 97 97 ASN ND2 N 114.146 0.300 1 921 97 97 ASN HD21 H 7.065 0.030 2 922 97 97 ASN HD22 H 7.397 0.030 2 923 97 97 ASN C C 174.285 0.300 1 924 97 97 ASN HB2 H 2.989 0.030 2 925 98 98 HIS N N 121.803 0.300 1 926 98 98 HIS H H 8.456 0.030 1 927 98 98 HIS CA C 58.023 0.300 1 928 98 98 HIS HA H 4.475 0.030 1 929 98 98 HIS CB C 33.382 0.300 1 930 98 98 HIS HB3 H 2.889 0.030 2 931 98 98 HIS CD2 C 118.139 0.300 1 932 98 98 HIS HD2 H 7.221 0.030 1 933 98 98 HIS CE1 C 136.583 0.300 1 934 98 98 HIS HE1 H 7.564 0.030 1 935 98 98 HIS C C 177.938 0.300 1 936 98 98 HIS HB2 H 3.267 0.030 2 937 99 99 ILE N N 115.599 0.300 1 938 99 99 ILE H H 8.237 0.030 1 939 99 99 ILE CA C 60.895 0.300 1 940 99 99 ILE HA H 4.545 0.030 1 941 99 99 ILE CB C 38.675 0.300 1 942 99 99 ILE HB H 2.301 0.030 1 943 99 99 ILE CG1 C 25.218 0.300 1 944 99 99 ILE HG13 H 1.433 0.030 1 945 99 99 ILE CG2 C 17.733 0.300 1 946 99 99 ILE HG2 H 0.951 0.030 1 947 99 99 ILE CD1 C 15.833 0.300 1 948 99 99 ILE HD1 H 0.935 0.030 1 949 99 99 ILE C C 176.165 0.300 1 950 99 99 ILE HG12 H 1.433 0.030 1 951 100 100 VAL H H 8.389 0.030 1 952 100 100 VAL CA C 65.835 0.300 1 953 100 100 VAL HA H 3.673 0.030 1 954 100 100 VAL CB C 31.169 0.300 1 955 100 100 VAL HB H 2.142 0.030 1 956 100 100 VAL CG1 C 20.960 0.300 2 957 100 100 VAL HG1 H 1.011 0.030 1 958 100 100 VAL CG2 C 22.455 0.300 2 959 100 100 VAL HG2 H 1.178 0.030 1 960 101 101 GLY N N 116.014 0.300 1 961 101 101 GLY H H 8.297 0.030 1 962 101 101 GLY CA C 44.626 0.300 1 963 101 101 GLY HA3 H 3.227 0.030 2 964 101 101 GLY C C 171.863 0.300 1 965 101 101 GLY HA2 H 4.207 0.030 2 966 102 102 SER N N 111.977 0.300 1 967 102 102 SER H H 7.304 0.030 1 968 102 102 SER CA C 54.570 0.300 1 969 102 102 SER HA H 3.915 0.030 1 970 102 102 SER CB C 62.569 0.300 1 971 102 102 SER HB3 H 4.405 0.030 2 972 102 102 SER HB2 H 3.660 0.030 2 973 103 103 PRO CA C 62.215 0.300 1 974 103 103 PRO HA H 5.475 0.030 1 975 103 103 PRO CB C 33.552 0.300 1 976 103 103 PRO HB3 H 2.226 0.030 2 977 103 103 PRO CG C 24.439 0.300 1 978 103 103 PRO HG3 H 1.795 0.030 1 979 103 103 PRO CD C 49.770 0.300 1 980 103 103 PRO HD3 H 2.267 0.030 2 981 103 103 PRO C C 175.646 0.300 1 982 103 103 PRO HB2 H 1.665 0.030 2 983 103 103 PRO HD2 H 3.220 0.030 2 984 103 103 PRO HG2 H 1.795 0.030 1 985 104 104 PHE N N 123.291 0.300 1 986 104 104 PHE H H 9.465 0.030 1 987 104 104 PHE CA C 57.015 0.300 1 988 104 104 PHE HA H 4.531 0.030 1 989 104 104 PHE CB C 40.607 0.300 1 990 104 104 PHE HB3 H 2.801 0.030 2 991 104 104 PHE CD1 C 133.054 0.300 1 992 104 104 PHE HD1 H 7.237 0.030 1 993 104 104 PHE CD2 C 133.054 0.300 1 994 104 104 PHE HD2 H 7.237 0.030 1 995 104 104 PHE CE1 C 130.278 0.300 1 996 104 104 PHE HE1 H 7.124 0.030 1 997 104 104 PHE CE2 C 130.278 0.300 1 998 104 104 PHE HE2 H 7.124 0.030 1 999 104 104 PHE CZ C 129.314 0.300 1 1000 104 104 PHE HZ H 7.293 0.030 1 1001 104 104 PHE C C 175.305 0.300 1 1002 104 104 PHE HB2 H 3.245 0.030 2 1003 105 105 LYS N N 123.989 0.300 1 1004 105 105 LYS H H 8.712 0.030 1 1005 105 105 LYS CA C 55.868 0.300 1 1006 105 105 LYS HA H 4.913 0.030 1 1007 105 105 LYS CB C 32.762 0.300 1 1008 105 105 LYS HB3 H 1.824 0.030 2 1009 105 105 LYS CG C 25.006 0.300 1 1010 105 105 LYS HG3 H 1.327 0.030 2 1011 105 105 LYS CD C 29.442 0.300 1 1012 105 105 LYS HD3 H 1.640 0.030 1 1013 105 105 LYS CE C 41.839 0.300 1 1014 105 105 LYS HE3 H 2.897 0.030 1 1015 105 105 LYS C C 174.065 0.300 1 1016 105 105 LYS HB2 H 1.708 0.030 2 1017 105 105 LYS HD2 H 1.640 0.030 1 1018 105 105 LYS HE2 H 2.897 0.030 1 1019 105 105 LYS HG2 H 1.227 0.030 2 1020 106 106 ALA N N 129.654 0.300 1 1021 106 106 ALA H H 8.964 0.030 1 1022 106 106 ALA CA C 50.325 0.300 1 1023 106 106 ALA HA H 4.497 0.030 1 1024 106 106 ALA CB C 20.496 0.300 1 1025 106 106 ALA HB H 1.064 0.030 1 1026 106 106 ALA C C 176.111 0.300 1 1027 107 107 LYS N N 124.155 0.300 1 1028 107 107 LYS H H 7.955 0.030 1 1029 107 107 LYS CA C 55.904 0.300 1 1030 107 107 LYS HA H 4.950 0.030 1 1031 107 107 LYS CB C 33.755 0.300 1 1032 107 107 LYS HB3 H 1.943 0.030 2 1033 107 107 LYS CG C 24.954 0.300 1 1034 107 107 LYS HG3 H 1.484 0.030 2 1035 107 107 LYS CD C 29.344 0.300 1 1036 107 107 LYS HD3 H 1.766 0.030 1 1037 107 107 LYS CE C 42.101 0.300 1 1038 107 107 LYS HE3 H 3.017 0.030 1 1039 107 107 LYS C C 175.350 0.300 1 1040 107 107 LYS HB2 H 1.875 0.030 2 1041 107 107 LYS HD2 H 1.766 0.030 1 1042 107 107 LYS HE2 H 3.017 0.030 1 1043 107 107 LYS HG2 H 1.329 0.030 2 1044 108 108 VAL N N 128.726 0.300 1 1045 108 108 VAL H H 9.373 0.030 1 1046 108 108 VAL CA C 60.804 0.300 1 1047 108 108 VAL HA H 4.851 0.030 1 1048 108 108 VAL CB C 33.175 0.300 1 1049 108 108 VAL HB H 2.349 0.030 1 1050 108 108 VAL CG1 C 22.406 0.300 2 1051 108 108 VAL HG1 H 0.763 0.030 1 1052 108 108 VAL CG2 C 22.062 0.300 2 1053 108 108 VAL HG2 H 0.626 0.030 1 1054 108 108 VAL C C 177.017 0.300 1 1055 109 109 THR N N 121.067 0.300 1 1056 109 109 THR H H 8.527 0.030 1 1057 109 109 THR CA C 60.138 0.300 1 1058 109 109 THR HA H 4.864 0.030 1 1059 109 109 THR CB C 70.960 0.300 1 1060 109 109 THR HB H 4.463 0.030 1 1061 109 109 THR CG2 C 21.428 0.300 1 1062 109 109 THR HG2 H 1.266 0.030 1 1063 109 109 THR C C 173.130 0.300 1 1064 110 110 GLY N N 106.893 0.300 1 1065 110 110 GLY H H 8.404 0.030 1 1066 110 110 GLY CA C 43.888 0.300 1 1067 110 110 GLY HA3 H 3.851 0.030 2 1068 110 110 GLY C C 173.870 0.300 1 1069 110 110 GLY HA2 H 4.773 0.030 2 1070 111 111 GLN N N 116.999 0.300 1 1071 111 111 GLN H H 8.234 0.030 1 1072 111 111 GLN CA C 55.230 0.300 1 1073 111 111 GLN HA H 4.269 0.030 1 1074 111 111 GLN CB C 30.118 0.300 1 1075 111 111 GLN HB3 H 1.993 0.030 2 1076 111 111 GLN CG C 33.804 0.300 1 1077 111 111 GLN HG3 H 2.361 0.030 1 1078 111 111 GLN NE2 N 112.544 0.300 1 1079 111 111 GLN HE21 H 7.580 0.030 2 1080 111 111 GLN HE22 H 6.903 0.030 2 1081 111 111 GLN C C 176.550 0.300 1 1082 111 111 GLN HB2 H 1.888 0.030 2 1083 111 111 GLN HG2 H 2.361 0.030 1 1084 112 112 ARG N N 122.131 0.300 1 1085 112 112 ARG H H 8.832 0.030 1 1086 112 112 ARG CA C 57.384 0.300 1 1087 112 112 ARG HA H 4.300 0.030 1 1088 112 112 ARG CB C 30.059 0.300 1 1089 112 112 ARG HB3 H 1.936 0.030 2 1090 112 112 ARG CG C 28.367 0.300 1 1091 112 112 ARG HG3 H 1.671 0.030 1 1092 112 112 ARG CD C 43.479 0.300 1 1093 112 112 ARG HD3 H 3.290 0.030 1 1094 112 112 ARG C C 175.836 0.300 1 1095 112 112 ARG HB2 H 1.806 0.030 2 1096 112 112 ARG HD2 H 3.290 0.030 1 1097 112 112 ARG HG2 H 1.671 0.030 1 1098 113 113 LEU N N 126.764 0.300 1 1099 113 113 LEU H H 8.424 0.030 1 1100 113 113 LEU CA C 54.919 0.300 1 1101 113 113 LEU HA H 4.517 0.030 1 1102 113 113 LEU CB C 42.706 0.300 1 1103 113 113 LEU HB3 H 1.791 0.030 2 1104 113 113 LEU CG C 26.805 0.300 1 1105 113 113 LEU HG H 1.639 0.030 1 1106 113 113 LEU CD1 C 25.108 0.300 2 1107 113 113 LEU HD1 H 0.891 0.030 1 1108 113 113 LEU CD2 C 22.410 0.300 2 1109 113 113 LEU HD2 H 0.766 0.030 1 1110 113 113 LEU C C 176.521 0.300 1 1111 113 113 LEU HB2 H 1.638 0.030 2 1112 116 116 PRO CA C 63.729 0.300 1 1113 116 116 PRO HA H 4.436 0.030 1 1114 116 116 PRO CB C 32.182 0.300 1 1115 116 116 PRO HB3 H 1.984 0.030 2 1116 116 116 PRO CG C 27.578 0.300 1 1117 116 116 PRO HG3 H 2.090 0.030 1 1118 116 116 PRO CD C 50.842 0.300 1 1119 116 116 PRO HD3 H 3.763 0.030 2 1120 116 116 PRO HB2 H 2.304 0.030 2 1121 116 116 PRO HD2 H 3.862 0.030 2 1122 116 116 PRO HG2 H 2.090 0.030 1 1123 117 117 GLY N N 110.092 0.300 1 1124 117 117 GLY H H 8.493 0.030 1 1125 118 118 SER CA C 58.420 0.300 1 1126 118 118 SER HA H 4.454 0.030 1 1127 118 118 SER CB C 64.014 0.300 1 1128 118 118 SER HB3 H 3.855 0.030 2 1129 118 118 SER C C 174.495 0.300 1 1130 118 118 SER HB2 H 3.903 0.030 2 1131 119 119 ALA N N 125.244 0.300 1 1132 119 119 ALA H H 8.365 0.030 1 1133 119 119 ALA CA C 52.697 0.300 1 1134 119 119 ALA HA H 4.333 0.030 1 1135 119 119 ALA CB C 19.378 0.300 1 1136 119 119 ALA HB H 1.390 0.030 1 1137 119 119 ALA C C 177.362 0.300 1 1138 120 120 ASN N N 117.122 0.300 1 1139 120 120 ASN H H 8.311 0.030 1 1140 120 120 ASN CA C 53.198 0.300 1 1141 120 120 ASN HA H 4.659 0.030 1 1142 120 120 ASN CB C 38.852 0.300 1 1143 120 120 ASN HB3 H 2.675 0.030 1 1144 120 120 ASN ND2 N 113.049 0.300 1 1145 120 120 ASN HD21 H 7.610 0.030 2 1146 120 120 ASN HD22 H 6.920 0.030 2 1147 120 120 ASN C C 175.112 0.300 1 1148 120 120 ASN HB2 H 2.675 0.030 1 1149 122 122 THR CA C 61.947 0.300 1 1150 122 122 THR HA H 4.197 0.030 1 1151 122 122 THR CB C 69.949 0.300 1 1152 122 122 THR HB H 4.170 0.030 1 1153 122 122 THR CG2 C 21.586 0.300 1 1154 122 122 THR HG2 H 1.188 0.030 1 1155 125 125 ILE CA C 63.161 0.300 1 1156 125 125 ILE HA H 4.111 0.030 1 1157 125 125 ILE CB C 39.863 0.300 1 1158 125 125 ILE HB H 1.843 0.030 1 1159 125 125 ILE CG1 C 27.327 0.300 1 1160 125 125 ILE HG13 H 1.431 0.030 2 1161 125 125 ILE CG2 C 18.292 0.300 1 1162 125 125 ILE HG2 H 0.873 0.030 1 1163 125 125 ILE CD1 C 13.918 0.300 1 1164 125 125 ILE HD1 H 0.829 0.030 1 1165 125 125 ILE HG12 H 1.139 0.030 2 stop_ save_