data_10327 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the filamin domain from human tripartite motif protein 45 ; _BMRB_accession_number 10327 _BMRB_flat_file_name bmr10327.str _Entry_type new _Submission_date 2009-04-02 _Accession_date 2009-04-02 _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" 649 "13C chemical shifts" 488 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the filamin domain from human tripartite motif protein 45' _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 'Tripartite motif protein 45' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGEVDPAKCVLQGED LHRAREKQTASFTLLCKDAA GEIMGRGGDNVQVAVVPKDK KDSPVRTMVQDNKDGTYYIS YTPKEPGVYTVWVCIKEQHV QGSPFTVTVRRKH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 VAL 10 ASP 11 PRO 12 ALA 13 LYS 14 CYS 15 VAL 16 LEU 17 GLN 18 GLY 19 GLU 20 ASP 21 LEU 22 HIS 23 ARG 24 ALA 25 ARG 26 GLU 27 LYS 28 GLN 29 THR 30 ALA 31 SER 32 PHE 33 THR 34 LEU 35 LEU 36 CYS 37 LYS 38 ASP 39 ALA 40 ALA 41 GLY 42 GLU 43 ILE 44 MET 45 GLY 46 ARG 47 GLY 48 GLY 49 ASP 50 ASN 51 VAL 52 GLN 53 VAL 54 ALA 55 VAL 56 VAL 57 PRO 58 LYS 59 ASP 60 LYS 61 LYS 62 ASP 63 SER 64 PRO 65 VAL 66 ARG 67 THR 68 MET 69 VAL 70 GLN 71 ASP 72 ASN 73 LYS 74 ASP 75 GLY 76 THR 77 TYR 78 TYR 79 ILE 80 SER 81 TYR 82 THR 83 PRO 84 LYS 85 GLU 86 PRO 87 GLY 88 VAL 89 TYR 90 THR 91 VAL 92 TRP 93 VAL 94 CYS 95 ILE 96 LYS 97 GLU 98 GLN 99 HIS 100 VAL 101 GLN 102 GLY 103 SER 104 PRO 105 PHE 106 THR 107 VAL 108 THR 109 VAL 110 ARG 111 ARG 112 LYS 113 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DS4 "Solution Structure Of The Filamin Domain From Human Tripartite Motif Protein 45" 100.00 113 100.00 100.00 4.62e-77 DBJ BAB14484 "unnamed protein product [Homo sapiens]" 96.46 580 97.25 99.08 4.89e-67 DBJ BAD96621 "tripartite motif-containing 45 variant [Homo sapiens]" 96.46 580 97.25 99.08 5.49e-67 GB AAH34943 "TRIM45 protein [Homo sapiens]" 83.19 562 100.00 100.00 6.75e-58 GB AAT76864 "tripartite motif-containing 45 [Homo sapiens]" 96.46 580 97.25 99.08 4.89e-67 GB ABZ92546 "tripartite motif-containing 45 [synthetic construct]" 83.19 562 100.00 100.00 6.75e-58 GB EAW56668 "tripartite motif-containing 45, isoform CRA_a [Homo sapiens]" 83.19 562 98.94 98.94 3.58e-57 REF NP_001139107 "tripartite motif-containing protein 45 isoform 2 [Homo sapiens]" 83.19 562 98.94 98.94 3.58e-57 REF XP_003806334 "PREDICTED: tripartite motif-containing protein 45 isoform X1 [Pan paniscus]" 96.46 580 97.25 99.08 6.36e-67 REF XP_004026476 "PREDICTED: tripartite motif-containing protein 45 isoform 2 [Gorilla gorilla gorilla]" 83.19 562 97.87 100.00 4.94e-57 REF XP_008950245 "PREDICTED: tripartite motif-containing protein 45 isoform X2 [Pan paniscus]" 96.46 523 97.25 99.08 2.73e-67 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 P060227-22 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 1.15 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9742 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.876 0.030 1 2 1 1 GLY HA3 H 3.876 0.030 1 3 1 1 GLY CA C 43.623 0.300 1 4 3 3 SER HA H 4.506 0.030 1 5 3 3 SER HB2 H 3.906 0.030 2 6 3 3 SER C C 174.860 0.300 1 7 3 3 SER CA C 58.585 0.300 1 8 3 3 SER CB C 63.699 0.300 1 9 4 4 GLY H H 8.407 0.030 1 10 4 4 GLY HA2 H 4.044 0.030 2 11 4 4 GLY HA3 H 3.980 0.030 2 12 4 4 GLY C C 174.089 0.300 1 13 4 4 GLY CA C 45.196 0.300 1 14 4 4 GLY N N 110.667 0.300 1 15 5 5 SER H H 8.260 0.030 1 16 5 5 SER HA H 4.491 0.030 1 17 5 5 SER HB2 H 3.892 0.030 2 18 5 5 SER HB3 H 3.818 0.030 2 19 5 5 SER C C 175.171 0.300 1 20 5 5 SER CA C 58.248 0.300 1 21 5 5 SER CB C 64.004 0.300 1 22 5 5 SER N N 115.656 0.300 1 23 6 6 SER H H 8.635 0.030 1 24 6 6 SER HA H 4.506 0.030 1 25 6 6 SER HB2 H 3.944 0.030 2 26 6 6 SER HB3 H 3.891 0.030 2 27 6 6 SER C C 175.138 0.300 1 28 6 6 SER CA C 58.650 0.300 1 29 6 6 SER CB C 63.813 0.300 1 30 6 6 SER N N 118.905 0.300 1 31 7 7 GLY H H 8.900 0.030 1 32 7 7 GLY HA2 H 3.915 0.030 2 33 7 7 GLY HA3 H 4.137 0.030 2 34 7 7 GLY C C 172.914 0.300 1 35 7 7 GLY CA C 45.047 0.300 1 36 7 7 GLY N N 111.610 0.300 1 37 8 8 GLU H H 7.975 0.030 1 38 8 8 GLU HA H 4.414 0.030 1 39 8 8 GLU HB2 H 2.020 0.030 2 40 8 8 GLU HB3 H 1.849 0.030 2 41 8 8 GLU HG2 H 2.289 0.030 2 42 8 8 GLU HG3 H 2.234 0.030 2 43 8 8 GLU C C 175.898 0.300 1 44 8 8 GLU CA C 54.860 0.300 1 45 8 8 GLU CB C 31.871 0.300 1 46 8 8 GLU CG C 36.180 0.300 1 47 8 8 GLU N N 118.833 0.300 1 48 9 9 VAL H H 8.615 0.030 1 49 9 9 VAL HA H 3.987 0.030 1 50 9 9 VAL HB H 1.988 0.030 1 51 9 9 VAL HG1 H 0.821 0.030 1 52 9 9 VAL HG2 H 0.909 0.030 1 53 9 9 VAL C C 174.336 0.300 1 54 9 9 VAL CA C 62.838 0.300 1 55 9 9 VAL CB C 32.250 0.300 1 56 9 9 VAL CG1 C 21.491 0.300 2 57 9 9 VAL CG2 C 23.636 0.300 2 58 9 9 VAL N N 123.193 0.300 1 59 10 10 ASP H H 8.898 0.030 1 60 10 10 ASP HA H 5.238 0.030 1 61 10 10 ASP HB2 H 2.713 0.030 2 62 10 10 ASP HB3 H 2.214 0.030 2 63 10 10 ASP C C 176.049 0.300 1 64 10 10 ASP CA C 49.786 0.300 1 65 10 10 ASP CB C 41.821 0.300 1 66 10 10 ASP N N 126.119 0.300 1 67 11 11 PRO HA H 4.499 0.030 1 68 11 11 PRO HB2 H 2.161 0.030 2 69 11 11 PRO HB3 H 1.924 0.030 2 70 11 11 PRO HD2 H 3.923 0.030 1 71 11 11 PRO HD3 H 3.923 0.030 1 72 11 11 PRO HG2 H 1.685 0.030 2 73 11 11 PRO HG3 H 2.145 0.030 2 74 11 11 PRO C C 177.514 0.300 1 75 11 11 PRO CA C 65.923 0.300 1 76 11 11 PRO CB C 32.646 0.300 1 77 11 11 PRO CD C 51.081 0.300 1 78 11 11 PRO CG C 28.223 0.300 1 79 12 12 ALA H H 7.753 0.030 1 80 12 12 ALA HA H 4.280 0.030 1 81 12 12 ALA HB H 1.502 0.030 1 82 12 12 ALA C C 178.664 0.300 1 83 12 12 ALA CA C 54.146 0.300 1 84 12 12 ALA CB C 18.888 0.300 1 85 12 12 ALA N N 115.092 0.300 1 86 13 13 LYS H H 8.068 0.030 1 87 13 13 LYS HA H 4.411 0.030 1 88 13 13 LYS HB2 H 1.942 0.030 2 89 13 13 LYS HB3 H 1.780 0.030 2 90 13 13 LYS HD2 H 1.577 0.030 2 91 13 13 LYS HD3 H 1.672 0.030 2 92 13 13 LYS HE2 H 2.953 0.030 1 93 13 13 LYS HE3 H 2.953 0.030 1 94 13 13 LYS HG2 H 1.213 0.030 2 95 13 13 LYS HG3 H 1.576 0.030 2 96 13 13 LYS C C 176.989 0.300 1 97 13 13 LYS CA C 54.976 0.300 1 98 13 13 LYS CB C 34.366 0.300 1 99 13 13 LYS CD C 28.615 0.300 1 100 13 13 LYS CE C 42.580 0.300 1 101 13 13 LYS CG C 25.730 0.300 1 102 13 13 LYS N N 115.129 0.300 1 103 14 14 CYS H H 7.241 0.030 1 104 14 14 CYS HA H 4.638 0.030 1 105 14 14 CYS HB2 H 3.275 0.030 2 106 14 14 CYS HB3 H 2.765 0.030 2 107 14 14 CYS C C 173.098 0.300 1 108 14 14 CYS CA C 60.364 0.300 1 109 14 14 CYS CB C 28.753 0.300 1 110 14 14 CYS N N 118.915 0.300 1 111 15 15 VAL H H 8.539 0.030 1 112 15 15 VAL HA H 4.718 0.030 1 113 15 15 VAL HB H 2.035 0.030 1 114 15 15 VAL HG1 H 0.894 0.030 1 115 15 15 VAL HG2 H 0.936 0.030 1 116 15 15 VAL C C 174.262 0.300 1 117 15 15 VAL CA C 60.488 0.300 1 118 15 15 VAL CB C 36.533 0.300 1 119 15 15 VAL CG1 C 21.269 0.300 2 120 15 15 VAL CG2 C 20.562 0.300 2 121 15 15 VAL N N 115.322 0.300 1 122 16 16 LEU H H 8.618 0.030 1 123 16 16 LEU HA H 5.208 0.030 1 124 16 16 LEU HB2 H 1.681 0.030 2 125 16 16 LEU HB3 H 0.914 0.030 2 126 16 16 LEU HD1 H 0.593 0.030 1 127 16 16 LEU HD2 H 0.962 0.030 1 128 16 16 LEU HG H 1.718 0.030 1 129 16 16 LEU C C 176.780 0.300 1 130 16 16 LEU CA C 53.240 0.300 1 131 16 16 LEU CB C 43.203 0.300 1 132 16 16 LEU CD1 C 26.140 0.300 2 133 16 16 LEU CD2 C 24.926 0.300 2 134 16 16 LEU CG C 26.181 0.300 1 135 16 16 LEU N N 124.272 0.300 1 136 17 17 GLN H H 9.592 0.030 1 137 17 17 GLN HA H 4.768 0.030 1 138 17 17 GLN HB2 H 1.954 0.030 2 139 17 17 GLN HB3 H 2.028 0.030 2 140 17 17 GLN HE21 H 6.753 0.030 2 141 17 17 GLN HE22 H 7.372 0.030 2 142 17 17 GLN HG2 H 2.218 0.030 1 143 17 17 GLN HG3 H 2.218 0.030 1 144 17 17 GLN C C 174.485 0.300 1 145 17 17 GLN CA C 54.569 0.300 1 146 17 17 GLN CB C 32.382 0.300 1 147 17 17 GLN CG C 34.055 0.300 1 148 17 17 GLN N N 122.299 0.300 1 149 17 17 GLN NE2 N 110.751 0.300 1 150 18 18 GLY H H 8.376 0.030 1 151 18 18 GLY HA2 H 4.170 0.030 2 152 18 18 GLY HA3 H 4.234 0.030 2 153 18 18 GLY C C 172.494 0.300 1 154 18 18 GLY CA C 45.230 0.300 1 155 18 18 GLY N N 111.544 0.300 1 156 19 19 GLU H H 8.700 0.030 1 157 19 19 GLU HA H 4.279 0.030 1 158 19 19 GLU HB2 H 1.985 0.030 2 159 19 19 GLU HB3 H 2.027 0.030 2 160 19 19 GLU HG2 H 2.291 0.030 1 161 19 19 GLU HG3 H 2.291 0.030 1 162 19 19 GLU C C 176.644 0.300 1 163 19 19 GLU CA C 57.361 0.300 1 164 19 19 GLU CB C 30.286 0.300 1 165 19 19 GLU CG C 36.363 0.300 1 166 19 19 GLU N N 122.515 0.300 1 167 20 20 ASP H H 8.792 0.030 1 168 20 20 ASP HA H 4.604 0.030 1 169 20 20 ASP HB2 H 3.066 0.030 2 170 20 20 ASP HB3 H 2.521 0.030 2 171 20 20 ASP C C 175.641 0.300 1 172 20 20 ASP CA C 53.904 0.300 1 173 20 20 ASP CB C 40.316 0.300 1 174 20 20 ASP N N 121.645 0.300 1 175 21 21 LEU H H 7.880 0.030 1 176 21 21 LEU HA H 3.840 0.030 1 177 21 21 LEU HB2 H 0.827 0.030 2 178 21 21 LEU HB3 H 0.755 0.030 2 179 21 21 LEU HD1 H 0.123 0.030 1 180 21 21 LEU HD2 H 0.070 0.030 1 181 21 21 LEU HG H 0.969 0.030 1 182 21 21 LEU C C 176.691 0.300 1 183 21 21 LEU CA C 57.520 0.300 1 184 21 21 LEU CB C 42.242 0.300 1 185 21 21 LEU CD1 C 24.286 0.300 2 186 21 21 LEU CD2 C 24.211 0.300 2 187 21 21 LEU CG C 26.857 0.300 1 188 21 21 LEU N N 119.542 0.300 1 189 22 22 HIS H H 7.951 0.030 1 190 22 22 HIS HA H 4.998 0.030 1 191 22 22 HIS HB2 H 3.590 0.030 2 192 22 22 HIS HB3 H 3.140 0.030 2 193 22 22 HIS HD2 H 7.073 0.030 1 194 22 22 HIS HE1 H 7.905 0.030 1 195 22 22 HIS C C 175.434 0.300 1 196 22 22 HIS CA C 56.022 0.300 1 197 22 22 HIS CB C 29.733 0.300 1 198 22 22 HIS CD2 C 121.972 0.300 1 199 22 22 HIS CE1 C 138.033 0.300 1 200 22 22 HIS N N 108.677 0.300 1 201 23 23 ARG H H 7.808 0.030 1 202 23 23 ARG HA H 5.238 0.030 1 203 23 23 ARG HB2 H 1.749 0.030 2 204 23 23 ARG HB3 H 1.811 0.030 2 205 23 23 ARG HD2 H 3.259 0.030 2 206 23 23 ARG HD3 H 3.143 0.030 2 207 23 23 ARG HG2 H 1.555 0.030 1 208 23 23 ARG HG3 H 1.555 0.030 1 209 23 23 ARG C C 173.276 0.300 1 210 23 23 ARG CA C 55.444 0.300 1 211 23 23 ARG CB C 34.417 0.300 1 212 23 23 ARG CD C 43.716 0.300 1 213 23 23 ARG CG C 27.273 0.300 1 214 23 23 ARG N N 122.203 0.300 1 215 24 24 ALA H H 8.193 0.030 1 216 24 24 ALA HA H 4.656 0.030 1 217 24 24 ALA HB H 1.400 0.030 1 218 24 24 ALA C C 175.767 0.300 1 219 24 24 ALA CA C 51.083 0.300 1 220 24 24 ALA CB C 22.312 0.300 1 221 24 24 ALA N N 122.295 0.300 1 222 25 25 ARG H H 9.368 0.030 1 223 25 25 ARG HA H 4.753 0.030 1 224 25 25 ARG HB2 H 1.523 0.030 2 225 25 25 ARG HB3 H 1.633 0.030 2 226 25 25 ARG HD2 H 3.099 0.030 1 227 25 25 ARG HD3 H 3.099 0.030 1 228 25 25 ARG HG2 H 1.542 0.030 1 229 25 25 ARG HG3 H 1.542 0.030 1 230 25 25 ARG C C 174.409 0.300 1 231 25 25 ARG CA C 55.003 0.300 1 232 25 25 ARG CB C 33.243 0.300 1 233 25 25 ARG CD C 43.535 0.300 1 234 25 25 ARG CG C 27.296 0.300 1 235 25 25 ARG N N 122.501 0.300 1 236 26 26 GLU H H 8.115 0.030 1 237 26 26 GLU HA H 3.409 0.030 1 238 26 26 GLU HB2 H 1.906 0.030 2 239 26 26 GLU HB3 H 1.652 0.030 2 240 26 26 GLU HG2 H 2.169 0.030 1 241 26 26 GLU HG3 H 2.169 0.030 1 242 26 26 GLU C C 174.445 0.300 1 243 26 26 GLU CA C 57.184 0.300 1 244 26 26 GLU CB C 29.979 0.300 1 245 26 26 GLU CG C 34.586 0.300 1 246 26 26 GLU N N 122.818 0.300 1 247 27 27 LYS H H 8.791 0.030 1 248 27 27 LYS HA H 3.430 0.030 1 249 27 27 LYS HB2 H 2.112 0.030 2 250 27 27 LYS HB3 H 1.908 0.030 2 251 27 27 LYS HD2 H 1.515 0.030 2 252 27 27 LYS HD3 H 1.807 0.030 2 253 27 27 LYS HE2 H 3.014 0.030 2 254 27 27 LYS HE3 H 3.125 0.030 2 255 27 27 LYS HG2 H 1.420 0.030 2 256 27 27 LYS HG3 H 1.582 0.030 2 257 27 27 LYS C C 174.176 0.300 1 258 27 27 LYS CA C 58.485 0.300 1 259 27 27 LYS CB C 29.727 0.300 1 260 27 27 LYS CD C 29.832 0.300 1 261 27 27 LYS CE C 42.558 0.300 1 262 27 27 LYS CG C 26.744 0.300 1 263 27 27 LYS N N 115.216 0.300 1 264 28 28 GLN H H 7.815 0.030 1 265 28 28 GLN HA H 4.637 0.030 1 266 28 28 GLN HB2 H 2.068 0.030 2 267 28 28 GLN HB3 H 1.766 0.030 2 268 28 28 GLN HE21 H 6.881 0.030 2 269 28 28 GLN HE22 H 7.571 0.030 2 270 28 28 GLN HG2 H 2.223 0.030 1 271 28 28 GLN HG3 H 2.223 0.030 1 272 28 28 GLN C C 175.188 0.300 1 273 28 28 GLN CA C 53.970 0.300 1 274 28 28 GLN CB C 31.025 0.300 1 275 28 28 GLN CG C 33.726 0.300 1 276 28 28 GLN N N 118.736 0.300 1 277 28 28 GLN NE2 N 112.346 0.300 1 278 29 29 THR H H 8.673 0.030 1 279 29 29 THR HA H 4.191 0.030 1 280 29 29 THR HB H 3.768 0.030 1 281 29 29 THR HG2 H 0.998 0.030 1 282 29 29 THR C C 173.300 0.300 1 283 29 29 THR CA C 64.249 0.300 1 284 29 29 THR CB C 69.348 0.300 1 285 29 29 THR CG2 C 22.475 0.300 1 286 29 29 THR N N 122.946 0.300 1 287 30 30 ALA H H 9.006 0.030 1 288 30 30 ALA HA H 4.608 0.030 1 289 30 30 ALA HB H 0.876 0.030 1 290 30 30 ALA C C 175.392 0.300 1 291 30 30 ALA CA C 50.682 0.300 1 292 30 30 ALA CB C 20.593 0.300 1 293 30 30 ALA N N 135.312 0.300 1 294 31 31 SER H H 8.164 0.030 1 295 31 31 SER HA H 5.686 0.030 1 296 31 31 SER HB2 H 3.461 0.030 1 297 31 31 SER HB3 H 3.461 0.030 1 298 31 31 SER C C 173.773 0.300 1 299 31 31 SER CA C 56.763 0.300 1 300 31 31 SER CB C 67.193 0.300 1 301 31 31 SER N N 111.062 0.300 1 302 32 32 PHE H H 8.802 0.030 1 303 32 32 PHE HA H 5.029 0.030 1 304 32 32 PHE HB2 H 3.388 0.030 2 305 32 32 PHE HB3 H 3.206 0.030 2 306 32 32 PHE HD1 H 7.075 0.030 1 307 32 32 PHE HD2 H 7.075 0.030 1 308 32 32 PHE HE1 H 7.202 0.030 1 309 32 32 PHE HE2 H 7.202 0.030 1 310 32 32 PHE HZ H 6.931 0.030 1 311 32 32 PHE C C 172.313 0.300 1 312 32 32 PHE CA C 56.893 0.300 1 313 32 32 PHE CB C 40.149 0.300 1 314 32 32 PHE CD1 C 132.726 0.300 1 315 32 32 PHE CD2 C 132.726 0.300 1 316 32 32 PHE CE1 C 130.705 0.300 1 317 32 32 PHE CE2 C 130.705 0.300 1 318 32 32 PHE CZ C 128.418 0.300 1 319 32 32 PHE N N 117.583 0.300 1 320 33 33 THR H H 9.023 0.030 1 321 33 33 THR HA H 5.584 0.030 1 322 33 33 THR HB H 4.153 0.030 1 323 33 33 THR HG2 H 1.313 0.030 1 324 33 33 THR C C 172.666 0.300 1 325 33 33 THR CA C 61.849 0.300 1 326 33 33 THR CB C 72.037 0.300 1 327 33 33 THR CG2 C 21.857 0.300 1 328 33 33 THR N N 115.382 0.300 1 329 34 34 LEU H H 9.415 0.030 1 330 34 34 LEU HA H 5.316 0.030 1 331 34 34 LEU HB2 H 2.014 0.030 2 332 34 34 LEU HB3 H 1.315 0.030 2 333 34 34 LEU HD1 H 0.874 0.030 1 334 34 34 LEU HD2 H 0.516 0.030 1 335 34 34 LEU HG H 1.663 0.030 1 336 34 34 LEU C C 174.119 0.300 1 337 34 34 LEU CA C 53.416 0.300 1 338 34 34 LEU CB C 46.132 0.300 1 339 34 34 LEU CD1 C 24.353 0.300 2 340 34 34 LEU CD2 C 28.145 0.300 2 341 34 34 LEU CG C 27.577 0.300 1 342 34 34 LEU N N 127.691 0.300 1 343 35 35 LEU H H 9.534 0.030 1 344 35 35 LEU HA H 4.866 0.030 1 345 35 35 LEU HB2 H 1.612 0.030 1 346 35 35 LEU HB3 H 1.612 0.030 1 347 35 35 LEU HD1 H 0.845 0.030 1 348 35 35 LEU HD2 H 0.901 0.030 1 349 35 35 LEU HG H 1.484 0.030 1 350 35 35 LEU C C 175.869 0.300 1 351 35 35 LEU CA C 54.458 0.300 1 352 35 35 LEU CB C 42.917 0.300 1 353 35 35 LEU CD1 C 25.790 0.300 2 354 35 35 LEU CD2 C 25.128 0.300 2 355 35 35 LEU CG C 27.925 0.300 1 356 35 35 LEU N N 129.202 0.300 1 357 36 36 CYS H H 8.943 0.030 1 358 36 36 CYS HA H 5.171 0.030 1 359 36 36 CYS HB2 H 3.389 0.030 2 360 36 36 CYS HB3 H 2.756 0.030 2 361 36 36 CYS C C 174.389 0.300 1 362 36 36 CYS CA C 59.637 0.300 1 363 36 36 CYS CB C 28.485 0.300 1 364 36 36 CYS N N 122.359 0.300 1 365 37 37 LYS H H 7.544 0.030 1 366 37 37 LYS HA H 5.102 0.030 1 367 37 37 LYS HB2 H 1.435 0.030 1 368 37 37 LYS HB3 H 1.435 0.030 1 369 37 37 LYS HD2 H 1.726 0.030 2 370 37 37 LYS HD3 H 1.489 0.030 2 371 37 37 LYS HE2 H 2.717 0.030 1 372 37 37 LYS HE3 H 2.717 0.030 1 373 37 37 LYS HG2 H 0.952 0.030 2 374 37 37 LYS HG3 H 1.213 0.030 2 375 37 37 LYS C C 173.820 0.300 1 376 37 37 LYS CA C 54.256 0.300 1 377 37 37 LYS CB C 38.390 0.300 1 378 37 37 LYS CD C 29.190 0.300 1 379 37 37 LYS CE C 42.748 0.300 1 380 37 37 LYS CG C 26.307 0.300 1 381 37 37 LYS N N 123.005 0.300 1 382 38 38 ASP H H 8.423 0.030 1 383 38 38 ASP HA H 4.755 0.030 1 384 38 38 ASP HB2 H 3.164 0.030 2 385 38 38 ASP HB3 H 2.701 0.030 2 386 38 38 ASP C C 177.570 0.300 1 387 38 38 ASP CA C 52.314 0.300 1 388 38 38 ASP CB C 42.211 0.300 1 389 38 38 ASP N N 119.113 0.300 1 390 39 39 ALA H H 8.216 0.030 1 391 39 39 ALA HA H 4.397 0.030 1 392 39 39 ALA HB H 1.484 0.030 1 393 39 39 ALA C C 179.034 0.300 1 394 39 39 ALA CA C 54.581 0.300 1 395 39 39 ALA CB C 18.830 0.300 1 396 39 39 ALA N N 117.293 0.300 1 397 40 40 ALA H H 7.976 0.030 1 398 40 40 ALA HA H 4.447 0.030 1 399 40 40 ALA HB H 1.505 0.030 1 400 40 40 ALA C C 178.212 0.300 1 401 40 40 ALA CA C 51.647 0.300 1 402 40 40 ALA CB C 18.914 0.300 1 403 40 40 ALA N N 120.086 0.300 1 404 41 41 GLY H H 8.509 0.030 1 405 41 41 GLY HA2 H 4.238 0.030 2 406 41 41 GLY HA3 H 3.400 0.030 2 407 41 41 GLY C C 173.707 0.300 1 408 41 41 GLY CA C 45.699 0.300 1 409 41 41 GLY N N 108.436 0.300 1 410 42 42 GLU H H 8.555 0.030 1 411 42 42 GLU HA H 4.466 0.030 1 412 42 42 GLU HB2 H 2.051 0.030 2 413 42 42 GLU HB3 H 1.977 0.030 2 414 42 42 GLU HG2 H 2.111 0.030 2 415 42 42 GLU HG3 H 2.347 0.030 2 416 42 42 GLU C C 176.344 0.300 1 417 42 42 GLU CA C 54.729 0.300 1 418 42 42 GLU CB C 30.041 0.300 1 419 42 42 GLU CG C 35.833 0.300 1 420 42 42 GLU N N 122.308 0.300 1 421 43 43 ILE H H 8.626 0.030 1 422 43 43 ILE HA H 4.172 0.030 1 423 43 43 ILE HB H 1.880 0.030 1 424 43 43 ILE HD1 H 0.926 0.030 1 425 43 43 ILE HG12 H 1.254 0.030 2 426 43 43 ILE HG13 H 1.702 0.030 2 427 43 43 ILE HG2 H 1.046 0.030 1 428 43 43 ILE C C 177.668 0.300 1 429 43 43 ILE CA C 61.861 0.300 1 430 43 43 ILE CB C 38.172 0.300 1 431 43 43 ILE CD1 C 13.613 0.300 1 432 43 43 ILE CG1 C 28.737 0.300 1 433 43 43 ILE CG2 C 18.147 0.300 1 434 43 43 ILE N N 122.448 0.300 1 435 44 44 MET H H 8.229 0.030 1 436 44 44 MET HA H 4.447 0.030 1 437 44 44 MET HB2 H 1.977 0.030 1 438 44 44 MET HB3 H 1.977 0.030 1 439 44 44 MET HE H 1.975 0.030 1 440 44 44 MET HG2 H 2.592 0.030 2 441 44 44 MET HG3 H 2.150 0.030 2 442 44 44 MET C C 177.895 0.300 1 443 44 44 MET CA C 55.727 0.300 1 444 44 44 MET CB C 31.855 0.300 1 445 44 44 MET CE C 15.910 0.300 1 446 44 44 MET CG C 31.907 0.300 1 447 44 44 MET N N 123.934 0.300 1 448 45 45 GLY H H 7.606 0.030 1 449 45 45 GLY HA2 H 3.827 0.030 1 450 45 45 GLY HA3 H 3.827 0.030 1 451 45 45 GLY C C 172.207 0.300 1 452 45 45 GLY CA C 45.733 0.300 1 453 45 45 GLY N N 103.076 0.300 1 454 46 46 ARG H H 7.085 0.030 1 455 46 46 ARG HA H 4.437 0.030 1 456 46 46 ARG HB2 H 1.942 0.030 2 457 46 46 ARG HB3 H 1.634 0.030 2 458 46 46 ARG HD2 H 3.105 0.030 2 459 46 46 ARG HD3 H 3.149 0.030 2 460 46 46 ARG HG2 H 1.522 0.030 1 461 46 46 ARG HG3 H 1.522 0.030 1 462 46 46 ARG C C 174.552 0.300 1 463 46 46 ARG CA C 53.868 0.300 1 464 46 46 ARG CB C 31.313 0.300 1 465 46 46 ARG CD C 43.452 0.300 1 466 46 46 ARG CG C 25.170 0.300 1 467 46 46 ARG N N 114.076 0.300 1 468 47 47 GLY H H 8.383 0.030 1 469 47 47 GLY HA2 H 4.292 0.030 2 470 47 47 GLY HA3 H 4.731 0.030 2 471 47 47 GLY C C 175.093 0.300 1 472 47 47 GLY CA C 44.596 0.300 1 473 47 47 GLY N N 108.753 0.300 1 474 48 48 GLY H H 9.884 0.030 1 475 48 48 GLY HA2 H 4.206 0.030 2 476 48 48 GLY HA3 H 3.711 0.030 2 477 48 48 GLY C C 175.317 0.300 1 478 48 48 GLY CA C 45.301 0.300 1 479 48 48 GLY N N 110.011 0.300 1 480 49 49 ASP H H 8.162 0.030 1 481 49 49 ASP HA H 4.817 0.030 1 482 49 49 ASP HB2 H 2.352 0.030 2 483 49 49 ASP HB3 H 2.217 0.030 2 484 49 49 ASP C C 175.541 0.300 1 485 49 49 ASP CA C 55.199 0.300 1 486 49 49 ASP CB C 42.319 0.300 1 487 49 49 ASP N N 118.961 0.300 1 488 50 50 ASN H H 8.943 0.030 1 489 50 50 ASN HA H 4.701 0.030 1 490 50 50 ASN HB2 H 2.837 0.030 2 491 50 50 ASN HB3 H 2.698 0.030 2 492 50 50 ASN HD21 H 6.866 0.030 2 493 50 50 ASN HD22 H 7.475 0.030 2 494 50 50 ASN C C 173.771 0.300 1 495 50 50 ASN CA C 52.481 0.300 1 496 50 50 ASN CB C 37.527 0.300 1 497 50 50 ASN N N 119.770 0.300 1 498 50 50 ASN ND2 N 110.295 0.300 1 499 51 51 VAL H H 7.534 0.030 1 500 51 51 VAL HA H 3.921 0.030 1 501 51 51 VAL HB H 1.487 0.030 1 502 51 51 VAL HG1 H 0.409 0.030 1 503 51 51 VAL HG2 H -0.259 0.030 1 504 51 51 VAL C C 175.313 0.300 1 505 51 51 VAL CA C 62.667 0.300 1 506 51 51 VAL CB C 32.284 0.300 1 507 51 51 VAL CG1 C 21.224 0.300 2 508 51 51 VAL CG2 C 19.826 0.300 2 509 51 51 VAL N N 125.928 0.300 1 510 52 52 GLN H H 8.982 0.030 1 511 52 52 GLN HA H 4.530 0.030 1 512 52 52 GLN HB2 H 1.907 0.030 2 513 52 52 GLN HB3 H 1.785 0.030 2 514 52 52 GLN HE21 H 7.370 0.030 2 515 52 52 GLN HE22 H 6.829 0.030 2 516 52 52 GLN HG2 H 2.122 0.030 2 517 52 52 GLN HG3 H 2.221 0.030 2 518 52 52 GLN C C 174.408 0.300 1 519 52 52 GLN CA C 54.385 0.300 1 520 52 52 GLN CB C 31.085 0.300 1 521 52 52 GLN CG C 33.305 0.300 1 522 52 52 GLN N N 128.267 0.300 1 523 52 52 GLN NE2 N 112.582 0.300 1 524 53 53 VAL H H 8.536 0.030 1 525 53 53 VAL HA H 5.407 0.030 1 526 53 53 VAL HB H 1.730 0.030 1 527 53 53 VAL HG1 H 0.859 0.030 1 528 53 53 VAL HG2 H 0.897 0.030 1 529 53 53 VAL C C 174.437 0.300 1 530 53 53 VAL CA C 59.384 0.300 1 531 53 53 VAL CB C 34.761 0.300 1 532 53 53 VAL CG1 C 20.620 0.300 2 533 53 53 VAL CG2 C 22.103 0.300 2 534 53 53 VAL N N 123.535 0.300 1 535 54 54 ALA H H 8.763 0.030 1 536 54 54 ALA HA H 4.608 0.030 1 537 54 54 ALA HB H 0.903 0.030 1 538 54 54 ALA C C 174.685 0.300 1 539 54 54 ALA CA C 50.831 0.300 1 540 54 54 ALA CB C 21.992 0.300 1 541 54 54 ALA N N 130.320 0.300 1 542 55 55 VAL H H 8.586 0.030 1 543 55 55 VAL HA H 4.447 0.030 1 544 55 55 VAL HB H 1.534 0.030 1 545 55 55 VAL HG1 H 0.253 0.030 1 546 55 55 VAL HG2 H 0.106 0.030 1 547 55 55 VAL C C 174.765 0.300 1 548 55 55 VAL CA C 61.909 0.300 1 549 55 55 VAL CB C 32.832 0.300 1 550 55 55 VAL CG1 C 20.660 0.300 2 551 55 55 VAL CG2 C 19.655 0.300 2 552 55 55 VAL N N 122.792 0.300 1 553 56 56 VAL H H 8.980 0.030 1 554 56 56 VAL HA H 4.670 0.030 1 555 56 56 VAL HB H 1.941 0.030 1 556 56 56 VAL HG1 H 0.822 0.030 1 557 56 56 VAL HG2 H 0.532 0.030 1 558 56 56 VAL C C 174.321 0.300 1 559 56 56 VAL CA C 58.943 0.300 1 560 56 56 VAL CB C 35.070 0.300 1 561 56 56 VAL CG1 C 20.942 0.300 2 562 56 56 VAL CG2 C 20.096 0.300 2 563 56 56 VAL N N 125.545 0.300 1 564 57 57 PRO HA H 3.916 0.030 1 565 57 57 PRO HB2 H 1.779 0.030 2 566 57 57 PRO HB3 H 1.887 0.030 2 567 57 57 PRO HD2 H 3.837 0.030 1 568 57 57 PRO HD3 H 3.837 0.030 1 569 57 57 PRO HG2 H 2.076 0.030 2 570 57 57 PRO HG3 H 1.893 0.030 2 571 57 57 PRO C C 176.724 0.300 1 572 57 57 PRO CA C 62.760 0.300 1 573 57 57 PRO CB C 31.508 0.300 1 574 57 57 PRO CD C 51.615 0.300 1 575 57 57 PRO CG C 27.413 0.300 1 576 58 58 LYS H H 8.299 0.030 1 577 58 58 LYS HA H 3.947 0.030 1 578 58 58 LYS HB2 H 1.588 0.030 1 579 58 58 LYS HB3 H 1.588 0.030 1 580 58 58 LYS HD2 H 1.559 0.030 1 581 58 58 LYS HD3 H 1.559 0.030 1 582 58 58 LYS HE2 H 2.889 0.030 1 583 58 58 LYS HE3 H 2.889 0.030 1 584 58 58 LYS HG2 H 1.283 0.030 1 585 58 58 LYS HG3 H 1.283 0.030 1 586 58 58 LYS C C 177.058 0.300 1 587 58 58 LYS CA C 58.303 0.300 1 588 58 58 LYS CB C 32.818 0.300 1 589 58 58 LYS CD C 29.192 0.300 1 590 58 58 LYS CE C 41.996 0.300 1 591 58 58 LYS CG C 25.070 0.300 1 592 58 58 LYS N N 123.085 0.300 1 593 59 59 ASP H H 8.284 0.030 1 594 59 59 ASP HA H 4.579 0.030 1 595 59 59 ASP HB2 H 2.749 0.030 2 596 59 59 ASP HB3 H 2.502 0.030 2 597 59 59 ASP C C 175.635 0.300 1 598 59 59 ASP CA C 53.869 0.300 1 599 59 59 ASP CB C 41.399 0.300 1 600 59 59 ASP N N 116.993 0.300 1 601 60 60 LYS H H 7.768 0.030 1 602 60 60 LYS HA H 4.255 0.030 1 603 60 60 LYS HB2 H 1.807 0.030 2 604 60 60 LYS HB3 H 1.655 0.030 2 605 60 60 LYS HD2 H 1.641 0.030 1 606 60 60 LYS HD3 H 1.641 0.030 1 607 60 60 LYS HE2 H 2.955 0.030 1 608 60 60 LYS HE3 H 2.955 0.030 1 609 60 60 LYS HG2 H 1.374 0.030 1 610 60 60 LYS HG3 H 1.374 0.030 1 611 60 60 LYS C C 176.117 0.300 1 612 60 60 LYS CA C 56.474 0.300 1 613 60 60 LYS CB C 32.696 0.300 1 614 60 60 LYS CD C 29.027 0.300 1 615 60 60 LYS CE C 42.133 0.300 1 616 60 60 LYS CG C 24.656 0.300 1 617 60 60 LYS N N 120.921 0.300 1 618 61 61 LYS H H 8.308 0.030 1 619 61 61 LYS HA H 4.239 0.030 1 620 61 61 LYS HB2 H 1.783 0.030 2 621 61 61 LYS HB3 H 1.744 0.030 2 622 61 61 LYS HD2 H 1.641 0.030 1 623 61 61 LYS HD3 H 1.641 0.030 1 624 61 61 LYS HE2 H 2.955 0.030 1 625 61 61 LYS HE3 H 2.955 0.030 1 626 61 61 LYS HG2 H 1.358 0.030 1 627 61 61 LYS HG3 H 1.358 0.030 1 628 61 61 LYS C C 176.411 0.300 1 629 61 61 LYS CA C 56.573 0.300 1 630 61 61 LYS CB C 32.796 0.300 1 631 61 61 LYS CD C 29.027 0.300 1 632 61 61 LYS CE C 42.051 0.300 1 633 61 61 LYS CG C 24.650 0.300 1 634 61 61 LYS N N 121.096 0.300 1 635 62 62 ASP H H 8.149 0.030 1 636 62 62 ASP HA H 4.637 0.030 1 637 62 62 ASP HB2 H 2.709 0.030 2 638 62 62 ASP HB3 H 2.638 0.030 2 639 62 62 ASP C C 175.576 0.300 1 640 62 62 ASP CA C 54.149 0.300 1 641 62 62 ASP CB C 41.397 0.300 1 642 62 62 ASP N N 119.355 0.300 1 643 63 63 SER H H 8.169 0.030 1 644 63 63 SER HA H 4.847 0.030 1 645 63 63 SER HB2 H 3.739 0.030 2 646 63 63 SER HB3 H 3.943 0.030 2 647 63 63 SER C C 171.815 0.300 1 648 63 63 SER CA C 56.279 0.300 1 649 63 63 SER CB C 63.742 0.300 1 650 63 63 SER N N 115.528 0.300 1 651 64 64 PRO HA H 4.591 0.030 1 652 64 64 PRO HB2 H 2.298 0.030 2 653 64 64 PRO HB3 H 1.879 0.030 2 654 64 64 PRO HD2 H 3.663 0.030 2 655 64 64 PRO HD3 H 3.771 0.030 2 656 64 64 PRO HG2 H 2.012 0.030 1 657 64 64 PRO HG3 H 2.012 0.030 1 658 64 64 PRO C C 176.689 0.300 1 659 64 64 PRO CA C 63.016 0.300 1 660 64 64 PRO CB C 32.534 0.300 1 661 64 64 PRO CD C 50.694 0.300 1 662 64 64 PRO CG C 27.462 0.300 1 663 65 65 VAL H H 8.585 0.030 1 664 65 65 VAL HA H 4.075 0.030 1 665 65 65 VAL HB H 1.938 0.030 1 666 65 65 VAL HG1 H 0.900 0.030 1 667 65 65 VAL HG2 H 1.002 0.030 1 668 65 65 VAL C C 175.715 0.300 1 669 65 65 VAL CA C 61.728 0.300 1 670 65 65 VAL CB C 33.281 0.300 1 671 65 65 VAL CG1 C 22.110 0.300 2 672 65 65 VAL CG2 C 22.717 0.300 2 673 65 65 VAL N N 123.239 0.300 1 674 66 66 ARG H H 8.629 0.030 1 675 66 66 ARG HA H 4.382 0.030 1 676 66 66 ARG HB2 H 1.838 0.030 1 677 66 66 ARG HB3 H 1.838 0.030 1 678 66 66 ARG HD2 H 3.232 0.030 1 679 66 66 ARG HD3 H 3.232 0.030 1 680 66 66 ARG HG2 H 1.772 0.030 2 681 66 66 ARG HG3 H 1.621 0.030 2 682 66 66 ARG C C 176.309 0.300 1 683 66 66 ARG CA C 56.859 0.300 1 684 66 66 ARG CB C 30.409 0.300 1 685 66 66 ARG CD C 43.455 0.300 1 686 66 66 ARG CG C 27.337 0.300 1 687 66 66 ARG N N 128.393 0.300 1 688 67 67 THR H H 8.468 0.030 1 689 67 67 THR HA H 5.099 0.030 1 690 67 67 THR HB H 3.940 0.030 1 691 67 67 THR HG2 H 1.016 0.030 1 692 67 67 THR C C 173.614 0.300 1 693 67 67 THR CA C 59.865 0.300 1 694 67 67 THR CB C 71.955 0.300 1 695 67 67 THR CG2 C 22.333 0.300 1 696 67 67 THR N N 116.723 0.300 1 697 68 68 MET H H 8.924 0.030 1 698 68 68 MET HA H 4.755 0.030 1 699 68 68 MET HB2 H 1.941 0.030 2 700 68 68 MET HB3 H 2.038 0.030 2 701 68 68 MET HE H 2.034 0.030 1 702 68 68 MET HG2 H 2.482 0.030 1 703 68 68 MET HG3 H 2.482 0.030 1 704 68 68 MET C C 173.880 0.300 1 705 68 68 MET CA C 54.983 0.300 1 706 68 68 MET CB C 35.238 0.300 1 707 68 68 MET CE C 17.047 0.300 1 708 68 68 MET CG C 32.381 0.300 1 709 68 68 MET N N 121.632 0.300 1 710 69 69 VAL H H 8.516 0.030 1 711 69 69 VAL HA H 4.505 0.030 1 712 69 69 VAL HB H 2.093 0.030 1 713 69 69 VAL HG1 H 0.905 0.030 1 714 69 69 VAL HG2 H 0.905 0.030 1 715 69 69 VAL C C 174.985 0.300 1 716 69 69 VAL CA C 61.691 0.300 1 717 69 69 VAL CB C 34.120 0.300 1 718 69 69 VAL CG1 C 21.553 0.300 1 719 69 69 VAL CG2 C 21.553 0.300 1 720 69 69 VAL N N 123.375 0.300 1 721 70 70 GLN H H 9.389 0.030 1 722 70 70 GLN HA H 4.768 0.030 1 723 70 70 GLN HB2 H 2.346 0.030 2 724 70 70 GLN HB3 H 2.138 0.030 2 725 70 70 GLN HE21 H 7.803 0.030 2 726 70 70 GLN HE22 H 6.869 0.030 2 727 70 70 GLN HG2 H 2.164 0.030 1 728 70 70 GLN HG3 H 2.164 0.030 1 729 70 70 GLN C C 173.915 0.300 1 730 70 70 GLN CA C 54.298 0.300 1 731 70 70 GLN CB C 31.700 0.300 1 732 70 70 GLN CG C 33.808 0.300 1 733 70 70 GLN N N 129.617 0.300 1 734 70 70 GLN NE2 N 113.051 0.300 1 735 71 71 ASP H H 8.912 0.030 1 736 71 71 ASP HA H 4.380 0.030 1 737 71 71 ASP HB2 H 3.069 0.030 2 738 71 71 ASP HB3 H 2.809 0.030 2 739 71 71 ASP C C 176.399 0.300 1 740 71 71 ASP CA C 53.113 0.300 1 741 71 71 ASP CB C 41.578 0.300 1 742 71 71 ASP N N 127.151 0.300 1 743 72 72 ASN H H 7.430 0.030 1 744 72 72 ASN HA H 4.575 0.030 1 745 72 72 ASN HB2 H 2.825 0.030 2 746 72 72 ASN HB3 H 2.639 0.030 2 747 72 72 ASN HD21 H 7.284 0.030 1 748 72 72 ASN HD22 H 7.284 0.030 1 749 72 72 ASN C C 174.366 0.300 1 750 72 72 ASN CA C 54.272 0.300 1 751 72 72 ASN CB C 37.725 0.300 1 752 72 72 ASN N N 124.568 0.300 1 753 72 72 ASN ND2 N 110.870 0.300 1 754 73 73 LYS H H 9.148 0.030 1 755 73 73 LYS HA H 3.539 0.030 1 756 73 73 LYS HB2 H 2.107 0.030 2 757 73 73 LYS HB3 H 1.954 0.030 2 758 73 73 LYS HD2 H 1.559 0.030 2 759 73 73 LYS HD3 H 1.625 0.030 2 760 73 73 LYS HE2 H 2.983 0.030 1 761 73 73 LYS HE3 H 2.983 0.030 1 762 73 73 LYS HG2 H 1.167 0.030 2 763 73 73 LYS HG3 H 1.278 0.030 2 764 73 73 LYS C C 174.352 0.300 1 765 73 73 LYS CA C 57.482 0.300 1 766 73 73 LYS CB C 28.458 0.300 1 767 73 73 LYS CD C 28.684 0.300 1 768 73 73 LYS CE C 42.298 0.300 1 769 73 73 LYS CG C 24.763 0.300 1 770 73 73 LYS N N 114.998 0.300 1 771 74 74 ASP H H 7.814 0.030 1 772 74 74 ASP HA H 4.381 0.030 1 773 74 74 ASP HB2 H 2.952 0.030 2 774 74 74 ASP HB3 H 2.312 0.030 2 775 74 74 ASP C C 176.009 0.300 1 776 74 74 ASP CA C 52.416 0.300 1 777 74 74 ASP CB C 41.358 0.300 1 778 74 74 ASP N N 116.437 0.300 1 779 75 75 GLY H H 8.589 0.030 1 780 75 75 GLY HA2 H 4.534 0.030 2 781 75 75 GLY HA3 H 3.635 0.030 2 782 75 75 GLY C C 172.494 0.300 1 783 75 75 GLY CA C 45.484 0.300 1 784 75 75 GLY N N 111.320 0.300 1 785 76 76 THR H H 8.297 0.030 1 786 76 76 THR HA H 5.950 0.030 1 787 76 76 THR HB H 4.069 0.030 1 788 76 76 THR HG2 H 1.138 0.030 1 789 76 76 THR C C 175.058 0.300 1 790 76 76 THR CA C 59.807 0.300 1 791 76 76 THR CB C 73.012 0.300 1 792 76 76 THR CG2 C 22.172 0.300 1 793 76 76 THR N N 109.767 0.300 1 794 77 77 TYR H H 9.194 0.030 1 795 77 77 TYR HA H 5.292 0.030 1 796 77 77 TYR HB2 H 2.798 0.030 2 797 77 77 TYR HB3 H 2.612 0.030 2 798 77 77 TYR HD1 H 6.809 0.030 1 799 77 77 TYR HD2 H 6.809 0.030 1 800 77 77 TYR HE1 H 6.882 0.030 1 801 77 77 TYR HE2 H 6.882 0.030 1 802 77 77 TYR C C 174.656 0.300 1 803 77 77 TYR CA C 56.589 0.300 1 804 77 77 TYR CB C 41.257 0.300 1 805 77 77 TYR CD1 C 132.021 0.300 1 806 77 77 TYR CD2 C 132.021 0.300 1 807 77 77 TYR CE1 C 118.947 0.300 1 808 77 77 TYR CE2 C 118.947 0.300 1 809 77 77 TYR N N 120.506 0.300 1 810 78 78 TYR H H 9.146 0.030 1 811 78 78 TYR HA H 5.288 0.030 1 812 78 78 TYR HB2 H 3.044 0.030 1 813 78 78 TYR HB3 H 3.044 0.030 1 814 78 78 TYR HD1 H 7.093 0.030 1 815 78 78 TYR HD2 H 7.093 0.030 1 816 78 78 TYR HE1 H 6.712 0.030 1 817 78 78 TYR HE2 H 6.712 0.030 1 818 78 78 TYR C C 174.772 0.300 1 819 78 78 TYR CA C 55.912 0.300 1 820 78 78 TYR CB C 39.802 0.300 1 821 78 78 TYR CD1 C 132.889 0.300 1 822 78 78 TYR CD2 C 132.889 0.300 1 823 78 78 TYR CE1 C 118.167 0.300 1 824 78 78 TYR CE2 C 118.167 0.300 1 825 78 78 TYR N N 124.430 0.300 1 826 79 79 ILE H H 8.977 0.030 1 827 79 79 ILE HA H 4.743 0.030 1 828 79 79 ILE HB H 0.488 0.030 1 829 79 79 ILE HD1 H 0.738 0.030 1 830 79 79 ILE HG12 H 0.966 0.030 2 831 79 79 ILE HG13 H 1.384 0.030 2 832 79 79 ILE HG2 H 0.521 0.030 1 833 79 79 ILE C C 173.441 0.300 1 834 79 79 ILE CA C 60.131 0.300 1 835 79 79 ILE CB C 38.930 0.300 1 836 79 79 ILE CD1 C 15.515 0.300 1 837 79 79 ILE CG1 C 29.171 0.300 1 838 79 79 ILE CG2 C 19.519 0.300 1 839 79 79 ILE N N 132.138 0.300 1 840 80 80 SER H H 8.742 0.030 1 841 80 80 SER HA H 5.614 0.030 1 842 80 80 SER HB2 H 3.466 0.030 2 843 80 80 SER HB3 H 3.511 0.030 2 844 80 80 SER C C 172.598 0.300 1 845 80 80 SER CA C 56.128 0.300 1 846 80 80 SER CB C 66.990 0.300 1 847 80 80 SER N N 117.735 0.300 1 848 81 81 TYR H H 8.752 0.030 1 849 81 81 TYR HA H 5.014 0.030 1 850 81 81 TYR HB2 H 2.968 0.030 2 851 81 81 TYR HB3 H 2.560 0.030 2 852 81 81 TYR HD1 H 6.394 0.030 1 853 81 81 TYR HD2 H 6.394 0.030 1 854 81 81 TYR HE1 H 6.321 0.030 1 855 81 81 TYR HE2 H 6.321 0.030 1 856 81 81 TYR C C 172.730 0.300 1 857 81 81 TYR CA C 56.899 0.300 1 858 81 81 TYR CB C 40.443 0.300 1 859 81 81 TYR CD1 C 132.481 0.300 1 860 81 81 TYR CD2 C 132.481 0.300 1 861 81 81 TYR CE1 C 116.758 0.300 1 862 81 81 TYR CE2 C 116.758 0.300 1 863 81 81 TYR N N 116.762 0.300 1 864 82 82 THR H H 8.399 0.030 1 865 82 82 THR HA H 4.855 0.030 1 866 82 82 THR HB H 3.894 0.030 1 867 82 82 THR HG2 H 0.758 0.030 1 868 82 82 THR C C 172.106 0.300 1 869 82 82 THR CA C 58.720 0.300 1 870 82 82 THR CB C 69.841 0.300 1 871 82 82 THR CG2 C 20.496 0.300 1 872 82 82 THR N N 116.822 0.300 1 873 83 83 PRO HA H 4.445 0.030 1 874 83 83 PRO HB2 H 1.733 0.030 2 875 83 83 PRO HB3 H 1.448 0.030 2 876 83 83 PRO HD2 H 3.497 0.030 2 877 83 83 PRO HD3 H 4.236 0.030 2 878 83 83 PRO HG2 H 1.587 0.030 2 879 83 83 PRO HG3 H 2.208 0.030 2 880 83 83 PRO C C 176.358 0.300 1 881 83 83 PRO CA C 61.903 0.300 1 882 83 83 PRO CB C 31.938 0.300 1 883 83 83 PRO CD C 49.828 0.300 1 884 83 83 PRO CG C 27.214 0.300 1 885 84 84 LYS H H 8.923 0.030 1 886 84 84 LYS HA H 4.171 0.030 1 887 84 84 LYS HB2 H 1.947 0.030 1 888 84 84 LYS HB3 H 1.947 0.030 1 889 84 84 LYS HD2 H 1.728 0.030 1 890 84 84 LYS HD3 H 1.728 0.030 1 891 84 84 LYS HE2 H 3.037 0.030 1 892 84 84 LYS HE3 H 3.037 0.030 1 893 84 84 LYS HG2 H 1.420 0.030 2 894 84 84 LYS HG3 H 1.573 0.030 2 895 84 84 LYS C C 175.426 0.300 1 896 84 84 LYS CA C 57.958 0.300 1 897 84 84 LYS CB C 33.775 0.300 1 898 84 84 LYS CD C 29.439 0.300 1 899 84 84 LYS CE C 42.159 0.300 1 900 84 84 LYS CG C 25.514 0.300 1 901 84 84 LYS N N 124.174 0.300 1 902 85 85 GLU H H 7.536 0.030 1 903 85 85 GLU HA H 5.083 0.030 1 904 85 85 GLU HB2 H 1.766 0.030 2 905 85 85 GLU HB3 H 2.151 0.030 2 906 85 85 GLU HG2 H 2.247 0.030 2 907 85 85 GLU HG3 H 2.355 0.030 2 908 85 85 GLU C C 174.903 0.300 1 909 85 85 GLU CA C 52.635 0.300 1 910 85 85 GLU CB C 31.114 0.300 1 911 85 85 GLU CG C 35.301 0.300 1 912 85 85 GLU N N 114.190 0.300 1 913 86 86 PRO HA H 4.329 0.030 1 914 86 86 PRO HB2 H 2.071 0.030 1 915 86 86 PRO HB3 H 2.071 0.030 1 916 86 86 PRO HD2 H 3.823 0.030 1 917 86 86 PRO HD3 H 3.823 0.030 1 918 86 86 PRO HG2 H 1.783 0.030 2 919 86 86 PRO HG3 H 2.077 0.030 2 920 86 86 PRO C C 175.072 0.300 1 921 86 86 PRO CA C 62.593 0.300 1 922 86 86 PRO CB C 32.589 0.300 1 923 86 86 PRO CD C 50.730 0.300 1 924 86 86 PRO CG C 27.587 0.300 1 925 87 87 GLY H H 8.709 0.030 1 926 87 87 GLY HA2 H 4.519 0.030 2 927 87 87 GLY HA3 H 3.943 0.030 2 928 87 87 GLY C C 171.501 0.300 1 929 87 87 GLY CA C 44.237 0.300 1 930 87 87 GLY N N 107.888 0.300 1 931 88 88 VAL H H 8.373 0.030 1 932 88 88 VAL HA H 4.959 0.030 1 933 88 88 VAL HB H 1.790 0.030 1 934 88 88 VAL HG1 H 1.015 0.030 1 935 88 88 VAL HG2 H 0.911 0.030 1 936 88 88 VAL C C 175.831 0.300 1 937 88 88 VAL CA C 62.346 0.300 1 938 88 88 VAL CB C 32.822 0.300 1 939 88 88 VAL CG1 C 21.801 0.300 2 940 88 88 VAL CG2 C 22.154 0.300 2 941 88 88 VAL N N 120.931 0.300 1 942 89 89 TYR H H 9.463 0.030 1 943 89 89 TYR HA H 5.001 0.030 1 944 89 89 TYR HB2 H 2.563 0.030 2 945 89 89 TYR HB3 H 2.344 0.030 2 946 89 89 TYR HD1 H 6.762 0.030 1 947 89 89 TYR HD2 H 6.762 0.030 1 948 89 89 TYR HE1 H 6.569 0.030 1 949 89 89 TYR HE2 H 6.569 0.030 1 950 89 89 TYR C C 174.237 0.300 1 951 89 89 TYR CA C 56.016 0.300 1 952 89 89 TYR CB C 41.342 0.300 1 953 89 89 TYR CD1 C 133.099 0.300 1 954 89 89 TYR CD2 C 133.099 0.300 1 955 89 89 TYR CE1 C 117.129 0.300 1 956 89 89 TYR CE2 C 117.129 0.300 1 957 89 89 TYR N N 126.968 0.300 1 958 90 90 THR H H 9.013 0.030 1 959 90 90 THR HA H 4.768 0.030 1 960 90 90 THR HB H 3.832 0.030 1 961 90 90 THR HG2 H 1.124 0.030 1 962 90 90 THR C C 172.906 0.300 1 963 90 90 THR CA C 61.675 0.300 1 964 90 90 THR CB C 69.918 0.300 1 965 90 90 THR CG2 C 22.433 0.300 1 966 90 90 THR N N 117.511 0.300 1 967 91 91 VAL H H 9.248 0.030 1 968 91 91 VAL HA H 4.626 0.030 1 969 91 91 VAL HB H -0.022 0.030 1 970 91 91 VAL HG1 H 0.438 0.030 1 971 91 91 VAL HG2 H 0.222 0.030 1 972 91 91 VAL C C 174.642 0.300 1 973 91 91 VAL CA C 60.961 0.300 1 974 91 91 VAL CB C 31.715 0.300 1 975 91 91 VAL CG1 C 21.774 0.300 2 976 91 91 VAL CG2 C 21.574 0.300 2 977 91 91 VAL N N 128.751 0.300 1 978 92 92 TRP H H 9.137 0.030 1 979 92 92 TRP HA H 5.251 0.030 1 980 92 92 TRP HB2 H 3.267 0.030 2 981 92 92 TRP HB3 H 3.106 0.030 2 982 92 92 TRP HD1 H 7.075 0.030 1 983 92 92 TRP HE1 H 10.202 0.030 1 984 92 92 TRP HE3 H 7.399 0.030 1 985 92 92 TRP HH2 H 7.199 0.030 1 986 92 92 TRP HZ2 H 7.415 0.030 1 987 92 92 TRP HZ3 H 7.029 0.030 1 988 92 92 TRP C C 175.387 0.300 1 989 92 92 TRP CA C 54.126 0.300 1 990 92 92 TRP CB C 31.938 0.300 1 991 92 92 TRP CD1 C 124.487 0.300 1 992 92 92 TRP CE3 C 121.158 0.300 1 993 92 92 TRP CH2 C 124.955 0.300 1 994 92 92 TRP CZ2 C 114.385 0.300 1 995 92 92 TRP CZ3 C 121.898 0.300 1 996 92 92 TRP N N 125.193 0.300 1 997 92 92 TRP NE1 N 128.214 0.300 1 998 93 93 VAL H H 9.805 0.030 1 999 93 93 VAL HA H 4.620 0.030 1 1000 93 93 VAL HB H 2.128 0.030 1 1001 93 93 VAL HG1 H 0.840 0.030 1 1002 93 93 VAL HG2 H 1.191 0.030 1 1003 93 93 VAL C C 174.117 0.300 1 1004 93 93 VAL CA C 62.202 0.300 1 1005 93 93 VAL CB C 33.304 0.300 1 1006 93 93 VAL CG1 C 22.125 0.300 2 1007 93 93 VAL CG2 C 21.363 0.300 2 1008 93 93 VAL N N 123.434 0.300 1 1009 94 94 CYS H H 8.874 0.030 1 1010 94 94 CYS HA H 5.270 0.030 1 1011 94 94 CYS HB2 H 2.403 0.030 2 1012 94 94 CYS HB3 H 2.253 0.030 2 1013 94 94 CYS C C 173.497 0.300 1 1014 94 94 CYS CA C 55.915 0.300 1 1015 94 94 CYS CB C 33.101 0.300 1 1016 94 94 CYS N N 122.116 0.300 1 1017 95 95 ILE H H 8.653 0.030 1 1018 95 95 ILE HA H 4.380 0.030 1 1019 95 95 ILE HB H 1.460 0.030 1 1020 95 95 ILE HD1 H 0.673 0.030 1 1021 95 95 ILE HG12 H 1.286 0.030 2 1022 95 95 ILE HG13 H 0.880 0.030 2 1023 95 95 ILE HG2 H 0.764 0.030 1 1024 95 95 ILE C C 176.378 0.300 1 1025 95 95 ILE CA C 60.041 0.300 1 1026 95 95 ILE CB C 40.085 0.300 1 1027 95 95 ILE CD1 C 14.588 0.300 1 1028 95 95 ILE CG1 C 27.378 0.300 1 1029 95 95 ILE CG2 C 17.496 0.300 1 1030 95 95 ILE N N 120.211 0.300 1 1031 96 96 LYS H H 9.053 0.030 1 1032 96 96 LYS HA H 3.751 0.030 1 1033 96 96 LYS HB2 H 2.018 0.030 2 1034 96 96 LYS HB3 H 1.881 0.030 2 1035 96 96 LYS HD2 H 1.730 0.030 1 1036 96 96 LYS HD3 H 1.730 0.030 1 1037 96 96 LYS HE2 H 2.981 0.030 1 1038 96 96 LYS HE3 H 2.981 0.030 1 1039 96 96 LYS HG2 H 1.458 0.030 1 1040 96 96 LYS HG3 H 1.458 0.030 1 1041 96 96 LYS C C 175.361 0.300 1 1042 96 96 LYS CA C 58.507 0.300 1 1043 96 96 LYS CB C 30.156 0.300 1 1044 96 96 LYS CD C 29.644 0.300 1 1045 96 96 LYS CE C 42.131 0.300 1 1046 96 96 LYS CG C 25.836 0.300 1 1047 96 96 LYS N N 126.627 0.300 1 1048 97 97 GLU H H 8.707 0.030 1 1049 97 97 GLU HA H 3.733 0.030 1 1050 97 97 GLU HB2 H 2.206 0.030 1 1051 97 97 GLU HB3 H 2.206 0.030 1 1052 97 97 GLU HG2 H 2.127 0.030 1 1053 97 97 GLU HG3 H 2.127 0.030 1 1054 97 97 GLU C C 175.310 0.300 1 1055 97 97 GLU CA C 57.542 0.300 1 1056 97 97 GLU CB C 27.838 0.300 1 1057 97 97 GLU CG C 37.035 0.300 1 1058 97 97 GLU N N 110.992 0.300 1 1059 98 98 GLN H H 7.845 0.030 1 1060 98 98 GLN HA H 4.552 0.030 1 1061 98 98 GLN HB2 H 2.014 0.030 2 1062 98 98 GLN HB3 H 2.069 0.030 2 1063 98 98 GLN HE21 H 7.072 0.030 2 1064 98 98 GLN HE22 H 7.570 0.030 2 1065 98 98 GLN HG2 H 2.345 0.030 2 1066 98 98 GLN HG3 H 2.434 0.030 2 1067 98 98 GLN C C 175.220 0.300 1 1068 98 98 GLN CA C 54.303 0.300 1 1069 98 98 GLN CB C 30.844 0.300 1 1070 98 98 GLN CG C 33.642 0.300 1 1071 98 98 GLN N N 119.931 0.300 1 1072 98 98 GLN NE2 N 112.262 0.300 1 1073 99 99 HIS H H 8.447 0.030 1 1074 99 99 HIS HA H 4.497 0.030 1 1075 99 99 HIS HB2 H 3.204 0.030 2 1076 99 99 HIS HB3 H 2.776 0.030 2 1077 99 99 HIS HD2 H 6.909 0.030 1 1078 99 99 HIS HE1 H 6.191 0.030 1 1079 99 99 HIS C C 177.342 0.300 1 1080 99 99 HIS CA C 58.473 0.300 1 1081 99 99 HIS CB C 32.588 0.300 1 1082 99 99 HIS CD2 C 117.516 0.300 1 1083 99 99 HIS CE1 C 136.014 0.300 1 1084 99 99 HIS N N 123.787 0.300 1 1085 100 100 VAL H H 7.983 0.030 1 1086 100 100 VAL HA H 4.658 0.030 1 1087 100 100 VAL HB H 2.224 0.030 1 1088 100 100 VAL HG1 H 0.923 0.030 1 1089 100 100 VAL HG2 H 0.845 0.030 1 1090 100 100 VAL C C 175.979 0.300 1 1091 100 100 VAL CA C 59.270 0.300 1 1092 100 100 VAL CB C 32.210 0.300 1 1093 100 100 VAL CG1 C 21.369 0.300 2 1094 100 100 VAL CG2 C 17.590 0.300 2 1095 100 100 VAL N N 114.754 0.300 1 1096 101 101 GLN H H 7.480 0.030 1 1097 101 101 GLN HA H 4.082 0.030 1 1098 101 101 GLN HB2 H 2.301 0.030 2 1099 101 101 GLN HB3 H 2.165 0.030 2 1100 101 101 GLN HE21 H 6.875 0.030 2 1101 101 101 GLN HE22 H 7.646 0.030 2 1102 101 101 GLN HG2 H 2.362 0.030 1 1103 101 101 GLN HG3 H 2.362 0.030 1 1104 101 101 GLN C C 176.807 0.300 1 1105 101 101 GLN CA C 58.263 0.300 1 1106 101 101 GLN CB C 28.305 0.300 1 1107 101 101 GLN CG C 34.274 0.300 1 1108 101 101 GLN N N 120.218 0.300 1 1109 101 101 GLN NE2 N 110.891 0.300 1 1110 102 102 GLY H H 8.680 0.030 1 1111 102 102 GLY HA2 H 4.242 0.030 2 1112 102 102 GLY HA3 H 3.559 0.030 2 1113 102 102 GLY C C 172.828 0.300 1 1114 102 102 GLY CA C 44.799 0.300 1 1115 102 102 GLY N N 114.363 0.300 1 1116 103 103 SER H H 8.063 0.030 1 1117 103 103 SER HA H 5.036 0.030 1 1118 103 103 SER HB2 H 3.584 0.030 2 1119 103 103 SER HB3 H 4.490 0.030 2 1120 103 103 SER C C 173.292 0.300 1 1121 103 103 SER CA C 54.008 0.300 1 1122 103 103 SER CB C 63.654 0.300 1 1123 103 103 SER N N 112.886 0.300 1 1124 104 104 PRO HA H 5.770 0.030 1 1125 104 104 PRO HB2 H 1.805 0.030 1 1126 104 104 PRO HB3 H 1.805 0.030 1 1127 104 104 PRO HD2 H 3.160 0.030 2 1128 104 104 PRO HD3 H 1.938 0.030 2 1129 104 104 PRO HG2 H 1.550 0.030 2 1130 104 104 PRO HG3 H 1.293 0.030 2 1131 104 104 PRO C C 176.564 0.300 1 1132 104 104 PRO CA C 62.876 0.300 1 1133 104 104 PRO CB C 35.681 0.300 1 1134 104 104 PRO CD C 49.631 0.300 1 1135 104 104 PRO CG C 24.284 0.300 1 1136 105 105 PHE H H 8.917 0.030 1 1137 105 105 PHE HA H 5.214 0.030 1 1138 105 105 PHE HB2 H 3.471 0.030 2 1139 105 105 PHE HB3 H 3.081 0.030 2 1140 105 105 PHE HD1 H 6.978 0.030 1 1141 105 105 PHE HD2 H 6.978 0.030 1 1142 105 105 PHE HE1 H 6.755 0.030 1 1143 105 105 PHE HE2 H 6.755 0.030 1 1144 105 105 PHE HZ H 6.250 0.030 1 1145 105 105 PHE C C 173.021 0.300 1 1146 105 105 PHE CA C 55.867 0.300 1 1147 105 105 PHE CB C 41.035 0.300 1 1148 105 105 PHE CD1 C 132.233 0.300 1 1149 105 105 PHE CD2 C 132.233 0.300 1 1150 105 105 PHE CE1 C 131.001 0.300 1 1151 105 105 PHE CE2 C 131.001 0.300 1 1152 105 105 PHE CZ C 129.108 0.300 1 1153 105 105 PHE N N 116.363 0.300 1 1154 106 106 THR H H 8.697 0.030 1 1155 106 106 THR HA H 5.186 0.030 1 1156 106 106 THR HB H 4.038 0.030 1 1157 106 106 THR HG2 H 1.196 0.030 1 1158 106 106 THR C C 173.901 0.300 1 1159 106 106 THR CA C 61.548 0.300 1 1160 106 106 THR CB C 70.960 0.300 1 1161 106 106 THR CG2 C 22.278 0.300 1 1162 106 106 THR N N 114.964 0.300 1 1163 107 107 VAL H H 9.173 0.030 1 1164 107 107 VAL HA H 4.694 0.030 1 1165 107 107 VAL HB H 1.763 0.030 1 1166 107 107 VAL HG1 H 0.798 0.030 1 1167 107 107 VAL HG2 H 0.985 0.030 1 1168 107 107 VAL C C 174.702 0.300 1 1169 107 107 VAL CA C 60.150 0.300 1 1170 107 107 VAL CB C 36.310 0.300 1 1171 107 107 VAL CG1 C 20.316 0.300 2 1172 107 107 VAL CG2 C 22.187 0.300 2 1173 107 107 VAL N N 125.035 0.300 1 1174 108 108 THR H H 8.286 0.030 1 1175 108 108 THR HA H 4.731 0.030 1 1176 108 108 THR HB H 4.131 0.030 1 1177 108 108 THR HG2 H 1.148 0.030 1 1178 108 108 THR C C 173.882 0.300 1 1179 108 108 THR CA C 62.719 0.300 1 1180 108 108 THR CB C 69.312 0.300 1 1181 108 108 THR CG2 C 21.200 0.300 1 1182 108 108 THR N N 123.057 0.300 1 1183 109 109 VAL H H 9.656 0.030 1 1184 109 109 VAL HA H 4.303 0.030 1 1185 109 109 VAL HB H 2.551 0.030 1 1186 109 109 VAL HG1 H 0.654 0.030 1 1187 109 109 VAL HG2 H 0.726 0.030 1 1188 109 109 VAL C C 176.241 0.300 1 1189 109 109 VAL CA C 61.318 0.300 1 1190 109 109 VAL CB C 31.331 0.300 1 1191 109 109 VAL CG1 C 21.365 0.300 2 1192 109 109 VAL CG2 C 22.572 0.300 2 1193 109 109 VAL N N 130.099 0.300 1 1194 110 110 ARG H H 8.665 0.030 1 1195 110 110 ARG HA H 4.669 0.030 1 1196 110 110 ARG HB2 H 1.910 0.030 2 1197 110 110 ARG HB3 H 2.013 0.030 2 1198 110 110 ARG HD2 H 3.235 0.030 1 1199 110 110 ARG HD3 H 3.235 0.030 1 1200 110 110 ARG HG2 H 1.699 0.030 2 1201 110 110 ARG HG3 H 1.906 0.030 2 1202 110 110 ARG C C 175.529 0.300 1 1203 110 110 ARG CA C 55.178 0.300 1 1204 110 110 ARG CB C 32.090 0.300 1 1205 110 110 ARG CD C 43.473 0.300 1 1206 110 110 ARG CG C 27.097 0.300 1 1207 110 110 ARG N N 128.616 0.300 1 1208 111 111 ARG H H 8.647 0.030 1 1209 111 111 ARG HA H 4.350 0.030 1 1210 111 111 ARG HB2 H 1.823 0.030 1 1211 111 111 ARG HB3 H 1.823 0.030 1 1212 111 111 ARG HD2 H 3.233 0.030 1 1213 111 111 ARG HD3 H 3.233 0.030 1 1214 111 111 ARG HG2 H 1.708 0.030 2 1215 111 111 ARG HG3 H 1.658 0.030 2 1216 111 111 ARG C C 176.272 0.300 1 1217 111 111 ARG CA C 56.529 0.300 1 1218 111 111 ARG CB C 31.309 0.300 1 1219 111 111 ARG CD C 43.494 0.300 1 1220 111 111 ARG CG C 27.549 0.300 1 1221 111 111 ARG N N 120.931 0.300 1 1222 112 112 LYS H H 9.267 0.030 1 1223 112 112 LYS HA H 4.145 0.030 1 1224 112 112 LYS HB2 H 1.695 0.030 2 1225 112 112 LYS HB3 H 1.751 0.030 2 1226 112 112 LYS HD2 H 1.747 0.030 1 1227 112 112 LYS HD3 H 1.747 0.030 1 1228 112 112 LYS HE2 H 2.969 0.030 1 1229 112 112 LYS HE3 H 2.969 0.030 1 1230 112 112 LYS HG2 H 1.313 0.030 1 1231 112 112 LYS HG3 H 1.313 0.030 1 1232 112 112 LYS C C 175.187 0.300 1 1233 112 112 LYS CA C 57.285 0.300 1 1234 112 112 LYS CB C 33.228 0.300 1 1235 112 112 LYS CD C 29.604 0.300 1 1236 112 112 LYS CE C 42.051 0.300 1 1237 112 112 LYS CG C 24.420 0.300 1 1238 112 112 LYS N N 123.947 0.300 1 1239 113 113 HIS H H 7.951 0.030 1 1240 113 113 HIS HA H 4.384 0.030 1 1241 113 113 HIS HB2 H 3.105 0.030 2 1242 113 113 HIS HB3 H 2.990 0.030 2 1243 113 113 HIS HD2 H 6.992 0.030 1 1244 113 113 HIS HE1 H 7.886 0.030 1 1245 113 113 HIS C C 179.928 0.300 1 1246 113 113 HIS CA C 57.844 0.300 1 1247 113 113 HIS CB C 31.307 0.300 1 1248 113 113 HIS CD2 C 120.572 0.300 1 1249 113 113 HIS CE1 C 137.768 0.300 1 1250 113 113 HIS N N 126.098 0.300 1 stop_ save_