data_10333 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the filamin domain from human BK158_1 protein ; _BMRB_accession_number 10333 _BMRB_flat_file_name bmr10333.str _Entry_type new _Submission_date 2009-04-14 _Accession_date 2009-04-14 _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 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 713 "13C chemical shifts" 529 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-14 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 BK158_1 protein' _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 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BK158_1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin-type immunoglobulin domains' $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-type immunoglobulin domains' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGETGGERQLSPEKS EIWGPGLKADVVLPARYFYI QAVDTSGNKFTSSPGEKVFQ VKVSAPEEQFTRVGVQVLDR KDGSFIVRYRMYASYKNLKV EIKFQGQHVAKSPYILKGSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 THR 10 GLY 11 GLY 12 GLU 13 ARG 14 GLN 15 LEU 16 SER 17 PRO 18 GLU 19 LYS 20 SER 21 GLU 22 ILE 23 TRP 24 GLY 25 PRO 26 GLY 27 LEU 28 LYS 29 ALA 30 ASP 31 VAL 32 VAL 33 LEU 34 PRO 35 ALA 36 ARG 37 TYR 38 PHE 39 TYR 40 ILE 41 GLN 42 ALA 43 VAL 44 ASP 45 THR 46 SER 47 GLY 48 ASN 49 LYS 50 PHE 51 THR 52 SER 53 SER 54 PRO 55 GLY 56 GLU 57 LYS 58 VAL 59 PHE 60 GLN 61 VAL 62 LYS 63 VAL 64 SER 65 ALA 66 PRO 67 GLU 68 GLU 69 GLN 70 PHE 71 THR 72 ARG 73 VAL 74 GLY 75 VAL 76 GLN 77 VAL 78 LEU 79 ASP 80 ARG 81 LYS 82 ASP 83 GLY 84 SER 85 PHE 86 ILE 87 VAL 88 ARG 89 TYR 90 ARG 91 MET 92 TYR 93 ALA 94 SER 95 TYR 96 LYS 97 ASN 98 LEU 99 LYS 100 VAL 101 GLU 102 ILE 103 LYS 104 PHE 105 GLN 106 GLY 107 GLN 108 HIS 109 VAL 110 ALA 111 LYS 112 SER 113 PRO 114 TYR 115 ILE 116 LEU 117 LYS 118 GLY 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 2DI7 "Solution Structure Of The Filamin Domain From Human Bk158_1 Protein" 100.00 124 100.00 100.00 2.56e-82 DBJ BAD96287 "BK158_1 (OTTHUMP00000040718) variant [Homo sapiens]" 90.32 502 98.21 99.11 4.42e-69 GB AAH01297 "KDEL (Lys-Asp-Glu-Leu) containing 1 [Homo sapiens]" 90.32 502 98.21 99.11 8.40e-70 GB AAQ89318 "BK158_1 [Homo sapiens]" 90.32 502 99.11 99.11 4.25e-70 GB ABM82133 "KDEL (Lys-Asp-Glu-Leu) containing 1 [synthetic construct]" 90.32 502 98.21 99.11 8.40e-70 GB ABM85316 "KDEL (Lys-Asp-Glu-Leu) containing 1 [synthetic construct]" 90.32 502 98.21 99.11 8.40e-70 GB AIC57069 "KDELC1, partial [synthetic construct]" 90.32 502 98.21 99.11 8.40e-70 REF NP_076994 "KDEL motif-containing protein 1 precursor [Homo sapiens]" 90.32 502 99.11 99.11 4.25e-70 REF XP_001094880 "PREDICTED: KDEL motif-containing protein 1-like isoform 1 [Macaca mulatta]" 90.32 502 97.32 99.11 2.71e-69 REF XP_002824457 "PREDICTED: KDEL motif-containing protein 1 [Pongo abelii]" 90.32 502 97.32 99.11 3.04e-69 REF XP_003832113 "PREDICTED: KDEL motif-containing protein 1 [Pan paniscus]" 90.32 502 97.32 99.11 2.26e-69 REF XP_003919616 "PREDICTED: LOW QUALITY PROTEIN: KDEL motif-containing protein 1 [Papio anubis]" 90.32 502 98.21 99.11 8.86e-70 SP Q6UW63 "RecName: Full=KDEL motif-containing protein 1; AltName: Full=Endoplasmic reticulum resident protein 58; Short=ER protein 58; Sh" 90.32 502 99.11 99.11 4.25e-70 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 P050905-05 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 1.11 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-type immunoglobulin domains' _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 3.865 0.030 1 2 1 1 GLY HA3 H 3.865 0.030 1 3 1 1 GLY CA C 43.709 0.300 1 4 6 6 SER HA H 4.479 0.030 1 5 6 6 SER HB2 H 3.901 0.030 1 6 6 6 SER HB3 H 3.901 0.030 1 7 6 6 SER C C 175.093 0.300 1 8 6 6 SER CA C 58.695 0.300 1 9 6 6 SER CB C 63.729 0.300 1 10 7 7 GLY H H 8.408 0.030 1 11 7 7 GLY HA2 H 3.978 0.030 1 12 7 7 GLY HA3 H 3.978 0.030 1 13 7 7 GLY C C 174.259 0.300 1 14 7 7 GLY CA C 45.364 0.300 1 15 7 7 GLY N N 110.665 0.300 1 16 8 8 GLU H H 8.320 0.030 1 17 8 8 GLU HA H 4.374 0.030 1 18 8 8 GLU HB2 H 1.936 0.030 2 19 8 8 GLU HB3 H 2.077 0.030 2 20 8 8 GLU HG2 H 2.248 0.030 1 21 8 8 GLU HG3 H 2.248 0.030 1 22 8 8 GLU C C 177.112 0.300 1 23 8 8 GLU CA C 56.618 0.300 1 24 8 8 GLU CB C 30.299 0.300 1 25 8 8 GLU CG C 36.308 0.300 1 26 8 8 GLU N N 120.733 0.300 1 27 9 9 THR H H 8.326 0.030 1 28 9 9 THR HA H 4.385 0.030 1 29 9 9 THR HB H 4.282 0.030 1 30 9 9 THR HG2 H 1.194 0.030 1 31 9 9 THR C C 175.359 0.300 1 32 9 9 THR CA C 61.969 0.300 1 33 9 9 THR CB C 69.863 0.300 1 34 9 9 THR CG2 C 21.502 0.300 1 35 9 9 THR N N 114.608 0.300 1 36 10 10 GLY H H 8.501 0.030 1 37 10 10 GLY HA2 H 4.011 0.030 1 38 10 10 GLY HA3 H 4.011 0.030 1 39 10 10 GLY C C 174.728 0.300 1 40 10 10 GLY CA C 45.387 0.300 1 41 10 10 GLY N N 111.518 0.300 1 42 11 11 GLY H H 8.282 0.030 1 43 11 11 GLY HA2 H 3.927 0.030 2 44 11 11 GLY HA3 H 3.985 0.030 2 45 11 11 GLY C C 174.106 0.300 1 46 11 11 GLY CA C 45.085 0.300 1 47 11 11 GLY N N 108.821 0.300 1 48 12 12 GLU H H 8.409 0.030 1 49 12 12 GLU HA H 4.270 0.030 1 50 12 12 GLU HB2 H 1.934 0.030 2 51 12 12 GLU HB3 H 2.028 0.030 2 52 12 12 GLU HG2 H 2.249 0.030 2 53 12 12 GLU HG3 H 2.286 0.030 2 54 12 12 GLU C C 176.450 0.300 1 55 12 12 GLU CA C 56.558 0.300 1 56 12 12 GLU CB C 30.306 0.300 1 57 12 12 GLU CG C 36.228 0.300 1 58 12 12 GLU N N 120.832 0.300 1 59 13 13 ARG H H 8.447 0.030 1 60 13 13 ARG HA H 4.272 0.030 1 61 13 13 ARG HB2 H 1.654 0.030 1 62 13 13 ARG HB3 H 1.654 0.030 1 63 13 13 ARG HD2 H 2.763 0.030 1 64 13 13 ARG HD3 H 2.763 0.030 1 65 13 13 ARG HG2 H 1.424 0.030 2 66 13 13 ARG HG3 H 1.549 0.030 2 67 13 13 ARG C C 175.487 0.300 1 68 13 13 ARG CA C 56.192 0.300 1 69 13 13 ARG CB C 31.660 0.300 1 70 13 13 ARG CD C 43.525 0.300 1 71 13 13 ARG CG C 26.637 0.300 1 72 13 13 ARG N N 123.320 0.300 1 73 14 14 GLN H H 8.980 0.030 1 74 14 14 GLN HA H 4.680 0.030 1 75 14 14 GLN HB2 H 2.060 0.030 2 76 14 14 GLN HB3 H 2.137 0.030 2 77 14 14 GLN HE21 H 6.982 0.030 2 78 14 14 GLN HE22 H 7.650 0.030 2 79 14 14 GLN HG2 H 2.433 0.030 1 80 14 14 GLN HG3 H 2.433 0.030 1 81 14 14 GLN C C 174.657 0.300 1 82 14 14 GLN CA C 54.460 0.300 1 83 14 14 GLN CB C 30.688 0.300 1 84 14 14 GLN CG C 33.703 0.300 1 85 14 14 GLN N N 124.296 0.300 1 86 14 14 GLN NE2 N 113.016 0.300 1 87 15 15 LEU H H 8.769 0.030 1 88 15 15 LEU HA H 4.001 0.030 1 89 15 15 LEU HB2 H 1.069 0.030 2 90 15 15 LEU HB3 H 1.173 0.030 2 91 15 15 LEU HD1 H -0.333 0.030 1 92 15 15 LEU HD2 H 0.140 0.030 1 93 15 15 LEU HG H 1.029 0.030 1 94 15 15 LEU C C 175.220 0.300 1 95 15 15 LEU CA C 57.713 0.300 1 96 15 15 LEU CB C 41.953 0.300 1 97 15 15 LEU CD1 C 22.712 0.300 2 98 15 15 LEU CD2 C 26.553 0.300 2 99 15 15 LEU CG C 27.832 0.300 1 100 15 15 LEU N N 127.563 0.300 1 101 16 16 SER H H 9.135 0.030 1 102 16 16 SER HA H 5.138 0.030 1 103 16 16 SER HB2 H 3.773 0.030 2 104 16 16 SER HB3 H 3.435 0.030 2 105 16 16 SER C C 175.191 0.300 1 106 16 16 SER CA C 53.348 0.300 1 107 16 16 SER CB C 64.494 0.300 1 108 16 16 SER N N 118.158 0.300 1 109 17 17 PRO HA H 4.265 0.030 1 110 17 17 PRO HB2 H 2.328 0.030 1 111 17 17 PRO HB3 H 2.328 0.030 1 112 17 17 PRO HD2 H 4.015 0.030 2 113 17 17 PRO HD3 H 4.376 0.030 2 114 17 17 PRO HG2 H 2.105 0.030 2 115 17 17 PRO HG3 H 2.465 0.030 2 116 17 17 PRO C C 177.178 0.300 1 117 17 17 PRO CA C 65.533 0.300 1 118 17 17 PRO CB C 32.053 0.300 1 119 17 17 PRO CD C 51.252 0.300 1 120 17 17 PRO CG C 28.024 0.300 1 121 18 18 GLU H H 8.633 0.030 1 122 18 18 GLU HA H 4.515 0.030 1 123 18 18 GLU HB2 H 2.028 0.030 1 124 18 18 GLU HB3 H 2.028 0.030 1 125 18 18 GLU HG2 H 2.411 0.030 1 126 18 18 GLU HG3 H 2.411 0.030 1 127 18 18 GLU C C 178.943 0.300 1 128 18 18 GLU CA C 59.524 0.300 1 129 18 18 GLU CB C 29.791 0.300 1 130 18 18 GLU CG C 36.587 0.300 1 131 18 18 GLU N N 115.886 0.300 1 132 19 19 LYS H H 7.974 0.030 1 133 19 19 LYS HA H 4.362 0.030 1 134 19 19 LYS HB2 H 1.486 0.030 2 135 19 19 LYS HB3 H 1.960 0.030 2 136 19 19 LYS HD2 H 1.582 0.030 1 137 19 19 LYS HD3 H 1.582 0.030 1 138 19 19 LYS HE2 H 2.912 0.030 2 139 19 19 LYS HE3 H 2.999 0.030 2 140 19 19 LYS HG2 H 1.420 0.030 1 141 19 19 LYS HG3 H 1.420 0.030 1 142 19 19 LYS C C 177.150 0.300 1 143 19 19 LYS CA C 56.759 0.300 1 144 19 19 LYS CB C 33.943 0.300 1 145 19 19 LYS CD C 29.457 0.300 1 146 19 19 LYS CE C 42.458 0.300 1 147 19 19 LYS CG C 26.666 0.300 1 148 19 19 LYS N N 115.133 0.300 1 149 20 20 SER H H 7.194 0.030 1 150 20 20 SER HA H 4.562 0.030 1 151 20 20 SER HB2 H 3.930 0.030 2 152 20 20 SER HB3 H 3.979 0.030 2 153 20 20 SER C C 171.407 0.300 1 154 20 20 SER CA C 62.518 0.300 1 155 20 20 SER CB C 63.918 0.300 1 156 20 20 SER N N 116.537 0.300 1 157 21 21 GLU H H 8.408 0.030 1 158 21 21 GLU HA H 4.832 0.030 1 159 21 21 GLU HB2 H 2.015 0.030 2 160 21 21 GLU HB3 H 2.120 0.030 2 161 21 21 GLU HG2 H 2.461 0.030 2 162 21 21 GLU HG3 H 2.208 0.030 2 163 21 21 GLU C C 175.657 0.300 1 164 21 21 GLU CA C 55.627 0.300 1 165 21 21 GLU CB C 33.719 0.300 1 166 21 21 GLU CG C 36.048 0.300 1 167 21 21 GLU N N 121.260 0.300 1 168 22 22 ILE H H 8.471 0.030 1 169 22 22 ILE HA H 5.389 0.030 1 170 22 22 ILE HB H 1.809 0.030 1 171 22 22 ILE HD1 H 0.815 0.030 1 172 22 22 ILE HG12 H 1.112 0.030 2 173 22 22 ILE HG13 H 1.493 0.030 2 174 22 22 ILE HG2 H 0.544 0.030 1 175 22 22 ILE C C 175.205 0.300 1 176 22 22 ILE CA C 60.832 0.300 1 177 22 22 ILE CB C 40.680 0.300 1 178 22 22 ILE CD1 C 14.427 0.300 1 179 22 22 ILE CG1 C 28.495 0.300 1 180 22 22 ILE CG2 C 18.821 0.300 1 181 22 22 ILE N N 121.083 0.300 1 182 23 23 TRP H H 8.657 0.030 1 183 23 23 TRP HA H 5.029 0.030 1 184 23 23 TRP HB2 H 3.491 0.030 2 185 23 23 TRP HB3 H 3.345 0.030 2 186 23 23 TRP HD1 H 7.241 0.030 1 187 23 23 TRP HE1 H 10.119 0.030 1 188 23 23 TRP HE3 H 7.259 0.030 1 189 23 23 TRP HH2 H 7.053 0.030 1 190 23 23 TRP HZ2 H 7.056 0.030 1 191 23 23 TRP HZ3 H 7.001 0.030 1 192 23 23 TRP C C 172.602 0.300 1 193 23 23 TRP CA C 57.350 0.300 1 194 23 23 TRP CB C 32.306 0.300 1 195 23 23 TRP CD1 C 127.458 0.300 1 196 23 23 TRP CE3 C 122.027 0.300 1 197 23 23 TRP CH2 C 124.046 0.300 1 198 23 23 TRP CZ2 C 115.106 0.300 1 199 23 23 TRP CZ3 C 121.953 0.300 1 200 23 23 TRP N N 128.565 0.300 1 201 23 23 TRP NE1 N 130.690 0.300 1 202 24 24 GLY H H 8.590 0.030 1 203 24 24 GLY HA2 H 4.220 0.030 2 204 24 24 GLY HA3 H 4.625 0.030 2 205 24 24 GLY C C 172.810 0.300 1 206 24 24 GLY CA C 44.074 0.300 1 207 24 24 GLY N N 106.449 0.300 1 208 25 25 PRO HA H 4.304 0.030 1 209 25 25 PRO HB2 H 1.934 0.030 2 210 25 25 PRO HB3 H 2.302 0.030 2 211 25 25 PRO HD2 H 3.704 0.030 2 212 25 25 PRO HD3 H 3.087 0.030 2 213 25 25 PRO HG2 H 1.562 0.030 2 214 25 25 PRO HG3 H 1.897 0.030 2 215 25 25 PRO C C 178.788 0.300 1 216 25 25 PRO CA C 65.186 0.300 1 217 25 25 PRO CB C 31.262 0.300 1 218 25 25 PRO CD C 49.759 0.300 1 219 25 25 PRO CG C 27.075 0.300 1 220 26 26 GLY H H 8.412 0.030 1 221 26 26 GLY HA2 H 4.130 0.030 2 222 26 26 GLY HA3 H 3.320 0.030 2 223 26 26 GLY C C 172.924 0.300 1 224 26 26 GLY CA C 46.384 0.300 1 225 26 26 GLY N N 103.451 0.300 1 226 27 27 LEU H H 7.090 0.030 1 227 27 27 LEU HA H 4.236 0.030 1 228 27 27 LEU HB2 H 1.293 0.030 2 229 27 27 LEU HB3 H 1.187 0.030 2 230 27 27 LEU HD1 H -0.329 0.030 1 231 27 27 LEU HD2 H -0.566 0.030 1 232 27 27 LEU HG H 0.458 0.030 1 233 27 27 LEU C C 175.247 0.300 1 234 27 27 LEU CA C 53.538 0.300 1 235 27 27 LEU CB C 41.466 0.300 1 236 27 27 LEU CD1 C 24.889 0.300 2 237 27 27 LEU CD2 C 20.596 0.300 2 238 27 27 LEU CG C 26.320 0.300 1 239 27 27 LEU N N 118.475 0.300 1 240 28 28 LYS H H 7.214 0.030 1 241 28 28 LYS HA H 4.426 0.030 1 242 28 28 LYS HB2 H 1.864 0.030 2 243 28 28 LYS HB3 H 1.972 0.030 2 244 28 28 LYS HD2 H 1.764 0.030 2 245 28 28 LYS HD3 H 1.577 0.030 2 246 28 28 LYS HE2 H 3.045 0.030 1 247 28 28 LYS HE3 H 3.045 0.030 1 248 28 28 LYS HG2 H 1.595 0.030 2 249 28 28 LYS HG3 H 1.516 0.030 2 250 28 28 LYS C C 176.689 0.300 1 251 28 28 LYS CA C 55.804 0.300 1 252 28 28 LYS CB C 34.003 0.300 1 253 28 28 LYS CD C 29.143 0.300 1 254 28 28 LYS CE C 42.339 0.300 1 255 28 28 LYS CG C 25.031 0.300 1 256 28 28 LYS N N 119.490 0.300 1 257 29 29 ALA HA H 4.234 0.030 1 258 29 29 ALA HB H 1.443 0.030 1 259 29 29 ALA C C 177.114 0.300 1 260 29 29 ALA CA C 53.548 0.300 1 261 29 29 ALA CB C 19.400 0.300 1 262 30 30 ASP H H 8.368 0.030 1 263 30 30 ASP HA H 4.537 0.030 1 264 30 30 ASP HB2 H 2.787 0.030 2 265 30 30 ASP HB3 H 2.670 0.030 2 266 30 30 ASP C C 175.696 0.300 1 267 30 30 ASP CA C 53.867 0.300 1 268 30 30 ASP CB C 40.115 0.300 1 269 30 30 ASP N N 114.771 0.300 1 270 31 31 VAL H H 7.313 0.030 1 271 31 31 VAL HA H 4.153 0.030 1 272 31 31 VAL HB H 2.099 0.030 1 273 31 31 VAL HG1 H 0.940 0.030 1 274 31 31 VAL HG2 H 0.958 0.030 1 275 31 31 VAL C C 175.721 0.300 1 276 31 31 VAL CA C 62.017 0.300 1 277 31 31 VAL CB C 33.147 0.300 1 278 31 31 VAL CG1 C 21.303 0.300 1 279 31 31 VAL CG2 C 21.303 0.300 1 280 31 31 VAL N N 119.023 0.300 1 281 32 32 VAL H H 8.262 0.030 1 282 32 32 VAL HA H 4.386 0.030 1 283 32 32 VAL HB H 2.265 0.030 1 284 32 32 VAL HG1 H 0.868 0.030 1 285 32 32 VAL HG2 H 0.885 0.030 1 286 32 32 VAL CA C 61.847 0.300 1 287 32 32 VAL CB C 32.490 0.300 1 288 32 32 VAL CG1 C 19.389 0.300 2 289 32 32 VAL CG2 C 21.397 0.300 2 290 33 33 LEU HA H 4.444 0.030 1 291 33 33 LEU HB2 H 1.703 0.030 2 292 33 33 LEU HB3 H 1.531 0.030 2 293 33 33 LEU HD1 H 0.978 0.030 1 294 33 33 LEU HD2 H 0.961 0.030 1 295 33 33 LEU HG H 1.691 0.030 1 296 33 33 LEU CB C 42.374 0.300 1 297 33 33 LEU CD1 C 25.414 0.300 2 298 33 33 LEU CD2 C 23.266 0.300 2 299 33 33 LEU CG C 27.326 0.300 1 300 34 34 PRO HA H 4.403 0.030 1 301 34 34 PRO HB2 H 2.264 0.030 2 302 34 34 PRO HB3 H 1.943 0.030 2 303 34 34 PRO HD2 H 3.772 0.030 1 304 34 34 PRO HD3 H 3.772 0.030 1 305 34 34 PRO HG2 H 2.005 0.030 1 306 34 34 PRO HG3 H 2.005 0.030 1 307 34 34 PRO CA C 64.525 0.300 1 308 34 34 PRO CB C 32.107 0.300 1 309 34 34 PRO CD C 50.435 0.300 1 310 34 34 PRO CG C 27.326 0.300 1 311 35 35 ALA HA H 4.789 0.030 1 312 35 35 ALA HB H 1.264 0.030 1 313 35 35 ALA CA C 51.328 0.300 1 314 35 35 ALA CB C 19.747 0.300 1 315 36 36 ARG HA H 4.872 0.030 1 316 36 36 ARG HB2 H 1.562 0.030 2 317 36 36 ARG HB3 H 1.611 0.030 2 318 36 36 ARG HD2 H 3.052 0.030 2 319 36 36 ARG HD3 H 3.014 0.030 2 320 36 36 ARG HG2 H 1.121 0.030 2 321 36 36 ARG HG3 H 1.263 0.030 2 322 36 36 ARG CA C 54.102 0.300 1 323 36 36 ARG CB C 33.255 0.300 1 324 36 36 ARG CD C 43.457 0.300 1 325 36 36 ARG CG C 27.152 0.300 1 326 37 37 TYR HA H 5.839 0.030 1 327 37 37 TYR HB2 H 2.600 0.030 2 328 37 37 TYR HB3 H 2.780 0.030 2 329 37 37 TYR HD1 H 6.450 0.030 1 330 37 37 TYR HD2 H 6.450 0.030 1 331 37 37 TYR HE1 H 6.807 0.030 1 332 37 37 TYR HE2 H 6.807 0.030 1 333 37 37 TYR C C 173.460 0.300 1 334 37 37 TYR CA C 55.643 0.300 1 335 37 37 TYR CB C 41.581 0.300 1 336 37 37 TYR CD1 C 133.038 0.300 1 337 37 37 TYR CD2 C 133.038 0.300 1 338 37 37 TYR CE1 C 118.143 0.300 1 339 37 37 TYR CE2 C 118.143 0.300 1 340 38 38 PHE H H 8.784 0.030 1 341 38 38 PHE HA H 4.144 0.030 1 342 38 38 PHE HB2 H 2.909 0.030 2 343 38 38 PHE HB3 H 2.374 0.030 2 344 38 38 PHE HD1 H 6.697 0.030 1 345 38 38 PHE HD2 H 6.697 0.030 1 346 38 38 PHE HE1 H 6.669 0.030 1 347 38 38 PHE HE2 H 6.669 0.030 1 348 38 38 PHE HZ H 6.623 0.030 1 349 38 38 PHE C C 169.622 0.300 1 350 38 38 PHE CA C 56.232 0.300 1 351 38 38 PHE CB C 39.224 0.300 1 352 38 38 PHE CD1 C 132.748 0.300 1 353 38 38 PHE CD2 C 132.748 0.300 1 354 38 38 PHE CE1 C 129.827 0.300 1 355 38 38 PHE CE2 C 129.827 0.300 1 356 38 38 PHE CZ C 128.663 0.300 1 357 38 38 PHE N N 114.904 0.300 1 358 39 39 TYR H H 9.015 0.030 1 359 39 39 TYR HA H 5.285 0.030 1 360 39 39 TYR HB2 H 0.374 0.030 2 361 39 39 TYR HB3 H 2.063 0.030 2 362 39 39 TYR HD1 H 6.335 0.030 1 363 39 39 TYR HD2 H 6.335 0.030 1 364 39 39 TYR HE1 H 6.762 0.030 1 365 39 39 TYR HE2 H 6.762 0.030 1 366 39 39 TYR C C 174.535 0.300 1 367 39 39 TYR CA C 56.077 0.300 1 368 39 39 TYR CB C 40.716 0.300 1 369 39 39 TYR CD1 C 133.319 0.300 1 370 39 39 TYR CD2 C 133.319 0.300 1 371 39 39 TYR CE1 C 117.030 0.300 1 372 39 39 TYR CE2 C 117.030 0.300 1 373 39 39 TYR N N 118.049 0.300 1 374 40 40 ILE H H 8.246 0.030 1 375 40 40 ILE HA H 5.048 0.030 1 376 40 40 ILE HB H 1.257 0.030 1 377 40 40 ILE HD1 H 0.105 0.030 1 378 40 40 ILE HG12 H 0.690 0.030 2 379 40 40 ILE HG13 H 1.369 0.030 2 380 40 40 ILE HG2 H -0.062 0.030 1 381 40 40 ILE C C 175.883 0.300 1 382 40 40 ILE CA C 59.704 0.300 1 383 40 40 ILE CB C 42.692 0.300 1 384 40 40 ILE CD1 C 14.636 0.300 1 385 40 40 ILE CG1 C 26.083 0.300 1 386 40 40 ILE CG2 C 16.467 0.300 1 387 40 40 ILE N N 115.491 0.300 1 388 41 41 GLN H H 10.055 0.030 1 389 41 41 GLN HA H 4.910 0.030 1 390 41 41 GLN HB2 H 2.338 0.030 2 391 41 41 GLN HB3 H 2.540 0.030 2 392 41 41 GLN HE21 H 6.935 0.030 2 393 41 41 GLN HE22 H 8.186 0.030 2 394 41 41 GLN HG2 H 2.047 0.030 2 395 41 41 GLN HG3 H 2.506 0.030 2 396 41 41 GLN C C 174.847 0.300 1 397 41 41 GLN CA C 53.660 0.300 1 398 41 41 GLN CB C 31.745 0.300 1 399 41 41 GLN CG C 34.068 0.300 1 400 41 41 GLN N N 126.457 0.300 1 401 41 41 GLN NE2 N 116.395 0.300 1 402 42 42 ALA H H 8.904 0.030 1 403 42 42 ALA HA H 4.614 0.030 1 404 42 42 ALA HB H 1.295 0.030 1 405 42 42 ALA C C 177.251 0.300 1 406 42 42 ALA CA C 52.838 0.300 1 407 42 42 ALA CB C 19.084 0.300 1 408 42 42 ALA N N 129.862 0.300 1 409 43 43 VAL H H 9.025 0.030 1 410 43 43 VAL HA H 4.663 0.030 1 411 43 43 VAL HB H 1.580 0.030 1 412 43 43 VAL HG1 H 1.034 0.030 1 413 43 43 VAL HG2 H 1.122 0.030 1 414 43 43 VAL C C 173.903 0.300 1 415 43 43 VAL CA C 61.840 0.300 1 416 43 43 VAL CB C 35.711 0.300 1 417 43 43 VAL CG1 C 21.387 0.300 2 418 43 43 VAL CG2 C 23.025 0.300 2 419 43 43 VAL N N 129.234 0.300 1 420 44 44 ASP H H 8.669 0.030 1 421 44 44 ASP HA H 5.469 0.030 1 422 44 44 ASP HB2 H 2.315 0.030 2 423 44 44 ASP HB3 H 3.558 0.030 2 424 44 44 ASP C C 178.250 0.300 1 425 44 44 ASP CA C 53.663 0.300 1 426 44 44 ASP CB C 42.873 0.300 1 427 44 44 ASP N N 125.887 0.300 1 428 45 45 THR H H 8.061 0.030 1 429 45 45 THR HA H 4.022 0.030 1 430 45 45 THR HB H 4.587 0.030 1 431 45 45 THR HG2 H 1.344 0.030 1 432 45 45 THR C C 176.390 0.300 1 433 45 45 THR CA C 64.444 0.300 1 434 45 45 THR CB C 68.919 0.300 1 435 45 45 THR CG2 C 22.610 0.300 1 436 45 45 THR N N 106.145 0.300 1 437 46 46 SER H H 8.652 0.030 1 438 46 46 SER HA H 4.696 0.030 1 439 46 46 SER HB2 H 3.988 0.030 1 440 46 46 SER HB3 H 3.988 0.030 1 441 46 46 SER C C 174.072 0.300 1 442 46 46 SER CA C 58.755 0.300 1 443 46 46 SER CB C 64.033 0.300 1 444 46 46 SER N N 119.040 0.300 1 445 47 47 GLY H H 8.315 0.030 1 446 47 47 GLY HA2 H 3.385 0.030 2 447 47 47 GLY HA3 H 4.279 0.030 2 448 47 47 GLY C C 173.817 0.300 1 449 47 47 GLY CA C 45.343 0.300 1 450 47 47 GLY N N 108.342 0.300 1 451 48 48 ASN H H 8.471 0.030 1 452 48 48 ASN HA H 4.917 0.030 1 453 48 48 ASN HB2 H 2.461 0.030 2 454 48 48 ASN HB3 H 3.001 0.030 2 455 48 48 ASN HD21 H 7.001 0.030 2 456 48 48 ASN HD22 H 8.019 0.030 2 457 48 48 ASN C C 175.504 0.300 1 458 48 48 ASN CA C 52.215 0.300 1 459 48 48 ASN CB C 39.105 0.300 1 460 48 48 ASN N N 120.238 0.300 1 461 48 48 ASN ND2 N 116.426 0.300 1 462 49 49 LYS H H 9.109 0.030 1 463 49 49 LYS HA H 4.391 0.030 1 464 49 49 LYS HB2 H 1.929 0.030 2 465 49 49 LYS HB3 H 1.729 0.030 2 466 49 49 LYS HD2 H 1.597 0.030 1 467 49 49 LYS HD3 H 1.597 0.030 1 468 49 49 LYS HE2 H 2.882 0.030 1 469 49 49 LYS HE3 H 2.882 0.030 1 470 49 49 LYS HG2 H 1.630 0.030 2 471 49 49 LYS HG3 H 1.363 0.030 2 472 49 49 LYS C C 178.198 0.300 1 473 49 49 LYS CA C 58.006 0.300 1 474 49 49 LYS CB C 32.341 0.300 1 475 49 49 LYS CD C 29.411 0.300 1 476 49 49 LYS CE C 41.964 0.300 1 477 49 49 LYS CG C 26.318 0.300 1 478 49 49 LYS N N 125.155 0.300 1 479 50 50 PHE H H 8.484 0.030 1 480 50 50 PHE HA H 4.355 0.030 1 481 50 50 PHE HB2 H 3.654 0.030 2 482 50 50 PHE HB3 H 3.126 0.030 2 483 50 50 PHE HD1 H 7.193 0.030 1 484 50 50 PHE HD2 H 7.193 0.030 1 485 50 50 PHE HE1 H 6.996 0.030 1 486 50 50 PHE HE2 H 6.996 0.030 1 487 50 50 PHE HZ H 7.112 0.030 1 488 50 50 PHE C C 176.308 0.300 1 489 50 50 PHE CA C 59.487 0.300 1 490 50 50 PHE CB C 39.507 0.300 1 491 50 50 PHE CD1 C 131.516 0.300 1 492 50 50 PHE CD2 C 131.516 0.300 1 493 50 50 PHE CE1 C 129.462 0.300 1 494 50 50 PHE CE2 C 129.462 0.300 1 495 50 50 PHE CZ C 131.053 0.300 1 496 50 50 PHE N N 123.612 0.300 1 497 51 51 THR H H 8.590 0.030 1 498 51 51 THR HA H 4.725 0.030 1 499 51 51 THR HB H 4.559 0.030 1 500 51 51 THR HG2 H 1.141 0.030 1 501 51 51 THR C C 173.505 0.300 1 502 51 51 THR CA C 60.838 0.300 1 503 51 51 THR CB C 68.783 0.300 1 504 51 51 THR CG2 C 21.658 0.300 1 505 51 51 THR N N 110.117 0.300 1 506 52 52 SER H H 7.796 0.030 1 507 52 52 SER HA H 4.466 0.030 1 508 52 52 SER HB2 H 3.912 0.030 2 509 52 52 SER HB3 H 3.876 0.030 2 510 52 52 SER C C 172.149 0.300 1 511 52 52 SER CA C 56.091 0.300 1 512 52 52 SER CB C 65.032 0.300 1 513 52 52 SER N N 115.743 0.300 1 514 53 53 SER H H 8.626 0.030 1 515 53 53 SER HA H 4.642 0.030 1 516 53 53 SER HB2 H 4.162 0.030 2 517 53 53 SER HB3 H 3.668 0.030 2 518 53 53 SER C C 177.033 0.300 1 519 53 53 SER CA C 56.073 0.300 1 520 53 53 SER CB C 63.253 0.300 1 521 53 53 SER N N 112.410 0.300 1 522 54 54 PRO HA H 4.633 0.030 1 523 54 54 PRO HB2 H 1.206 0.030 2 524 54 54 PRO HB3 H 1.689 0.030 2 525 54 54 PRO HD2 H 3.621 0.030 2 526 54 54 PRO HD3 H 4.189 0.030 2 527 54 54 PRO HG2 H 1.324 0.030 2 528 54 54 PRO HG3 H 1.865 0.030 2 529 54 54 PRO C C 174.703 0.300 1 530 54 54 PRO CA C 62.633 0.300 1 531 54 54 PRO CB C 31.337 0.300 1 532 54 54 PRO CD C 50.389 0.300 1 533 54 54 PRO CG C 26.123 0.300 1 534 55 55 GLY H H 8.467 0.030 1 535 55 55 GLY HA2 H 3.615 0.030 2 536 55 55 GLY HA3 H 4.388 0.030 2 537 55 55 GLY C C 172.893 0.300 1 538 55 55 GLY CA C 44.730 0.300 1 539 55 55 GLY N N 112.289 0.300 1 540 56 56 GLU H H 8.472 0.030 1 541 56 56 GLU HA H 4.589 0.030 1 542 56 56 GLU HB2 H 2.124 0.030 2 543 56 56 GLU HB3 H 2.171 0.030 2 544 56 56 GLU HG2 H 2.489 0.030 1 545 56 56 GLU HG3 H 2.489 0.030 1 546 56 56 GLU C C 178.170 0.300 1 547 56 56 GLU CA C 59.066 0.300 1 548 56 56 GLU CB C 30.763 0.300 1 549 56 56 GLU CG C 36.531 0.300 1 550 56 56 GLU N N 122.321 0.300 1 551 57 57 LYS H H 8.697 0.030 1 552 57 57 LYS HA H 4.606 0.030 1 553 57 57 LYS HB2 H 1.629 0.030 2 554 57 57 LYS HB3 H 2.072 0.030 2 555 57 57 LYS HD2 H 1.672 0.030 2 556 57 57 LYS HD3 H 1.744 0.030 2 557 57 57 LYS HE2 H 3.026 0.030 1 558 57 57 LYS HE3 H 3.026 0.030 1 559 57 57 LYS HG2 H 1.379 0.030 1 560 57 57 LYS HG3 H 1.379 0.030 1 561 57 57 LYS C C 176.912 0.300 1 562 57 57 LYS CA C 55.104 0.300 1 563 57 57 LYS CB C 31.816 0.300 1 564 57 57 LYS CD C 29.298 0.300 1 565 57 57 LYS CE C 42.267 0.300 1 566 57 57 LYS CG C 25.153 0.300 1 567 57 57 LYS N N 117.135 0.300 1 568 58 58 VAL H H 6.868 0.030 1 569 58 58 VAL HA H 3.847 0.030 1 570 58 58 VAL HB H 1.796 0.030 1 571 58 58 VAL HG1 H 0.570 0.030 1 572 58 58 VAL HG2 H 0.127 0.030 1 573 58 58 VAL C C 175.845 0.300 1 574 58 58 VAL CA C 64.412 0.300 1 575 58 58 VAL CB C 31.249 0.300 1 576 58 58 VAL CG1 C 21.731 0.300 2 577 58 58 VAL CG2 C 18.508 0.300 2 578 58 58 VAL N N 113.214 0.300 1 579 59 59 PHE H H 7.946 0.030 1 580 59 59 PHE HA H 5.290 0.030 1 581 59 59 PHE HB2 H 2.288 0.030 2 582 59 59 PHE HB3 H 2.378 0.030 2 583 59 59 PHE HD1 H 6.351 0.030 1 584 59 59 PHE HD2 H 6.351 0.030 1 585 59 59 PHE HE1 H 6.789 0.030 1 586 59 59 PHE HE2 H 6.789 0.030 1 587 59 59 PHE HZ H 6.745 0.030 1 588 59 59 PHE C C 174.865 0.300 1 589 59 59 PHE CA C 56.494 0.300 1 590 59 59 PHE CB C 39.633 0.300 1 591 59 59 PHE CD1 C 131.499 0.300 1 592 59 59 PHE CD2 C 131.499 0.300 1 593 59 59 PHE CE1 C 130.648 0.300 1 594 59 59 PHE CE2 C 130.648 0.300 1 595 59 59 PHE CZ C 128.544 0.300 1 596 59 59 PHE N N 117.023 0.300 1 597 60 60 GLN H H 9.060 0.030 1 598 60 60 GLN HA H 4.511 0.030 1 599 60 60 GLN HB2 H 1.871 0.030 2 600 60 60 GLN HB3 H 1.924 0.030 2 601 60 60 GLN HE21 H 7.396 0.030 2 602 60 60 GLN HE22 H 6.676 0.030 2 603 60 60 GLN HG2 H 2.166 0.030 2 604 60 60 GLN HG3 H 2.303 0.030 2 605 60 60 GLN C C 175.402 0.300 1 606 60 60 GLN CA C 54.756 0.300 1 607 60 60 GLN CB C 30.416 0.300 1 608 60 60 GLN CG C 34.315 0.300 1 609 60 60 GLN N N 122.814 0.300 1 610 60 60 GLN NE2 N 113.135 0.300 1 611 61 61 VAL H H 8.736 0.030 1 612 61 61 VAL HA H 5.188 0.030 1 613 61 61 VAL HB H 1.743 0.030 1 614 61 61 VAL HG1 H 0.807 0.030 1 615 61 61 VAL HG2 H 0.810 0.030 1 616 61 61 VAL C C 174.362 0.300 1 617 61 61 VAL CA C 60.629 0.300 1 618 61 61 VAL CB C 33.475 0.300 1 619 61 61 VAL CG1 C 20.999 0.300 2 620 61 61 VAL CG2 C 21.372 0.300 2 621 61 61 VAL N N 126.775 0.300 1 622 62 62 LYS H H 8.887 0.030 1 623 62 62 LYS HA H 4.651 0.030 1 624 62 62 LYS HB2 H 1.597 0.030 2 625 62 62 LYS HB3 H 1.657 0.030 2 626 62 62 LYS HD2 H 1.587 0.030 1 627 62 62 LYS HD3 H 1.587 0.030 1 628 62 62 LYS HE2 H 2.862 0.030 1 629 62 62 LYS HE3 H 2.862 0.030 1 630 62 62 LYS HG2 H 1.191 0.030 2 631 62 62 LYS HG3 H 1.363 0.030 2 632 62 62 LYS C C 174.665 0.300 1 633 62 62 LYS CA C 55.027 0.300 1 634 62 62 LYS CB C 36.681 0.300 1 635 62 62 LYS CD C 29.403 0.300 1 636 62 62 LYS CE C 42.065 0.300 1 637 62 62 LYS CG C 24.940 0.300 1 638 62 62 LYS N N 127.826 0.300 1 639 63 63 VAL H H 8.708 0.030 1 640 63 63 VAL HA H 4.845 0.030 1 641 63 63 VAL HB H 1.644 0.030 1 642 63 63 VAL HG1 H 0.544 0.030 1 643 63 63 VAL HG2 H 0.387 0.030 1 644 63 63 VAL C C 174.311 0.300 1 645 63 63 VAL CA C 61.015 0.300 1 646 63 63 VAL CB C 32.956 0.300 1 647 63 63 VAL CG1 C 21.663 0.300 2 648 63 63 VAL CG2 C 20.363 0.300 2 649 63 63 VAL N N 127.494 0.300 1 650 64 64 SER H H 8.939 0.030 1 651 64 64 SER HA H 4.670 0.030 1 652 64 64 SER HB2 H 3.594 0.030 1 653 64 64 SER HB3 H 3.594 0.030 1 654 64 64 SER C C 171.193 0.300 1 655 64 64 SER CA C 56.642 0.300 1 656 64 64 SER CB C 66.273 0.300 1 657 64 64 SER N N 119.377 0.300 1 658 65 65 ALA H H 8.390 0.030 1 659 65 65 ALA HA H 5.079 0.030 1 660 65 65 ALA HB H 0.918 0.030 1 661 65 65 ALA C C 175.980 0.300 1 662 65 65 ALA CA C 48.725 0.300 1 663 65 65 ALA CB C 19.457 0.300 1 664 65 65 ALA N N 127.681 0.300 1 665 66 66 PRO HA H 4.156 0.030 1 666 66 66 PRO HB2 H 1.895 0.030 2 667 66 66 PRO HB3 H 2.249 0.030 2 668 66 66 PRO HD2 H 3.717 0.030 2 669 66 66 PRO HD3 H 3.626 0.030 2 670 66 66 PRO HG2 H 1.786 0.030 2 671 66 66 PRO HG3 H 1.998 0.030 2 672 66 66 PRO C C 177.181 0.300 1 673 66 66 PRO CA C 64.492 0.300 1 674 66 66 PRO CB C 32.186 0.300 1 675 66 66 PRO CD C 50.664 0.300 1 676 66 66 PRO CG C 27.566 0.300 1 677 67 67 GLU H H 8.752 0.030 1 678 67 67 GLU HA H 4.100 0.030 1 679 67 67 GLU HB2 H 2.202 0.030 2 680 67 67 GLU HB3 H 2.123 0.030 2 681 67 67 GLU HG2 H 2.242 0.030 1 682 67 67 GLU HG3 H 2.242 0.030 1 683 67 67 GLU C C 175.952 0.300 1 684 67 67 GLU CA C 57.436 0.300 1 685 67 67 GLU CB C 28.654 0.300 1 686 67 67 GLU CG C 36.898 0.300 1 687 67 67 GLU N N 115.035 0.300 1 688 68 68 GLU H H 7.632 0.030 1 689 68 68 GLU HA H 4.558 0.030 1 690 68 68 GLU HB2 H 1.773 0.030 2 691 68 68 GLU HB3 H 2.095 0.030 2 692 68 68 GLU HG2 H 2.176 0.030 2 693 68 68 GLU HG3 H 2.278 0.030 2 694 68 68 GLU C C 176.405 0.300 1 695 68 68 GLU CA C 54.803 0.300 1 696 68 68 GLU CB C 30.987 0.300 1 697 68 68 GLU CG C 36.042 0.300 1 698 68 68 GLU N N 118.732 0.300 1 699 69 69 GLN H H 8.725 0.030 1 700 69 69 GLN HA H 4.023 0.030 1 701 69 69 GLN HB2 H 1.868 0.030 2 702 69 69 GLN HB3 H 1.920 0.030 2 703 69 69 GLN HE21 H 7.479 0.030 2 704 69 69 GLN HE22 H 6.842 0.030 2 705 69 69 GLN HG2 H 2.038 0.030 2 706 69 69 GLN HG3 H 2.227 0.030 2 707 69 69 GLN C C 176.144 0.300 1 708 69 69 GLN CA C 57.888 0.300 1 709 69 69 GLN CB C 29.004 0.300 1 710 69 69 GLN CG C 33.822 0.300 1 711 69 69 GLN N N 122.587 0.300 1 712 69 69 GLN NE2 N 112.403 0.300 1 713 70 70 PHE H H 8.290 0.030 1 714 70 70 PHE HA H 4.789 0.030 1 715 70 70 PHE HB2 H 3.092 0.030 2 716 70 70 PHE HB3 H 2.983 0.030 2 717 70 70 PHE HD1 H 7.239 0.030 1 718 70 70 PHE HD2 H 7.239 0.030 1 719 70 70 PHE HE1 H 7.333 0.030 1 720 70 70 PHE HE2 H 7.333 0.030 1 721 70 70 PHE HZ H 7.307 0.030 1 722 70 70 PHE C C 174.535 0.300 1 723 70 70 PHE CA C 56.703 0.300 1 724 70 70 PHE CB C 40.359 0.300 1 725 70 70 PHE CD1 C 132.046 0.300 1 726 70 70 PHE CD2 C 132.046 0.300 1 727 70 70 PHE CE1 C 131.364 0.300 1 728 70 70 PHE CE2 C 131.364 0.300 1 729 70 70 PHE CZ C 129.844 0.300 1 730 70 70 PHE N N 117.925 0.300 1 731 71 71 THR H H 8.367 0.030 1 732 71 71 THR HA H 4.064 0.030 1 733 71 71 THR HB H 3.948 0.030 1 734 71 71 THR HG2 H 0.700 0.030 1 735 71 71 THR C C 173.941 0.300 1 736 71 71 THR CA C 63.092 0.300 1 737 71 71 THR CB C 69.490 0.300 1 738 71 71 THR CG2 C 21.247 0.300 1 739 71 71 THR N N 123.109 0.300 1 740 72 72 ARG H H 8.830 0.030 1 741 72 72 ARG HA H 4.553 0.030 1 742 72 72 ARG HB2 H 1.916 0.030 2 743 72 72 ARG HB3 H 1.993 0.030 2 744 72 72 ARG HD2 H 3.218 0.030 2 745 72 72 ARG HD3 H 3.158 0.030 2 746 72 72 ARG HG2 H 1.647 0.030 2 747 72 72 ARG HG3 H 1.761 0.030 2 748 72 72 ARG C C 173.710 0.300 1 749 72 72 ARG CA C 55.578 0.300 1 750 72 72 ARG CB C 28.953 0.300 1 751 72 72 ARG CD C 43.658 0.300 1 752 72 72 ARG CG C 26.838 0.300 1 753 72 72 ARG N N 127.780 0.300 1 754 73 73 VAL H H 7.926 0.030 1 755 73 73 VAL HA H 5.128 0.030 1 756 73 73 VAL HB H 1.896 0.030 1 757 73 73 VAL HG1 H 0.943 0.030 1 758 73 73 VAL HG2 H 0.869 0.030 1 759 73 73 VAL C C 174.307 0.300 1 760 73 73 VAL CA C 59.715 0.300 1 761 73 73 VAL CB C 35.381 0.300 1 762 73 73 VAL CG1 C 22.241 0.300 2 763 73 73 VAL CG2 C 20.244 0.300 2 764 73 73 VAL N N 123.958 0.300 1 765 74 74 GLY H H 9.111 0.030 1 766 74 74 GLY HA2 H 3.886 0.030 2 767 74 74 GLY HA3 H 4.735 0.030 2 768 74 74 GLY C C 172.778 0.300 1 769 74 74 GLY CA C 45.110 0.300 1 770 74 74 GLY N N 115.710 0.300 1 771 75 75 VAL H H 8.692 0.030 1 772 75 75 VAL HA H 4.782 0.030 1 773 75 75 VAL HB H 1.976 0.030 1 774 75 75 VAL HG1 H 0.733 0.030 1 775 75 75 VAL HG2 H 0.857 0.030 1 776 75 75 VAL C C 174.947 0.300 1 777 75 75 VAL CA C 61.559 0.300 1 778 75 75 VAL CB C 35.002 0.300 1 779 75 75 VAL CG1 C 21.375 0.300 2 780 75 75 VAL CG2 C 22.371 0.300 2 781 75 75 VAL N N 124.313 0.300 1 782 76 76 GLN H H 9.114 0.030 1 783 76 76 GLN HA H 4.732 0.030 1 784 76 76 GLN HB2 H 2.037 0.030 2 785 76 76 GLN HB3 H 1.917 0.030 2 786 76 76 GLN HE21 H 7.587 0.030 2 787 76 76 GLN HE22 H 6.840 0.030 2 788 76 76 GLN HG2 H 2.343 0.030 2 789 76 76 GLN HG3 H 2.197 0.030 2 790 76 76 GLN C C 173.727 0.300 1 791 76 76 GLN CA C 54.857 0.300 1 792 76 76 GLN CB C 32.487 0.300 1 793 76 76 GLN CG C 34.041 0.300 1 794 76 76 GLN N N 127.219 0.300 1 795 76 76 GLN NE2 N 111.981 0.300 1 796 77 77 VAL H H 8.874 0.030 1 797 77 77 VAL HA H 4.478 0.030 1 798 77 77 VAL HB H 2.215 0.030 1 799 77 77 VAL HG1 H 0.933 0.030 1 800 77 77 VAL HG2 H 0.885 0.030 1 801 77 77 VAL C C 175.039 0.300 1 802 77 77 VAL CA C 62.160 0.300 1 803 77 77 VAL CB C 32.520 0.300 1 804 77 77 VAL CG1 C 21.319 0.300 2 805 77 77 VAL CG2 C 21.188 0.300 2 806 77 77 VAL N N 126.109 0.300 1 807 78 78 LEU H H 9.456 0.030 1 808 78 78 LEU HA H 4.834 0.030 1 809 78 78 LEU HB2 H 1.663 0.030 1 810 78 78 LEU HB3 H 1.663 0.030 1 811 78 78 LEU HD1 H 0.840 0.030 1 812 78 78 LEU HD2 H 0.840 0.030 1 813 78 78 LEU HG H 1.401 0.030 1 814 78 78 LEU C C 174.965 0.300 1 815 78 78 LEU CA C 54.237 0.300 1 816 78 78 LEU CB C 43.090 0.300 1 817 78 78 LEU CD1 C 24.624 0.300 1 818 78 78 LEU CD2 C 24.624 0.300 1 819 78 78 LEU CG C 27.327 0.300 1 820 78 78 LEU N N 130.550 0.300 1 821 79 79 ASP H H 8.802 0.030 1 822 79 79 ASP HA H 4.095 0.030 1 823 79 79 ASP HB2 H 2.738 0.030 2 824 79 79 ASP HB3 H 3.022 0.030 2 825 79 79 ASP C C 177.144 0.300 1 826 79 79 ASP CA C 53.750 0.300 1 827 79 79 ASP CB C 41.935 0.300 1 828 79 79 ASP N N 125.584 0.300 1 829 80 80 ARG H H 7.942 0.030 1 830 80 80 ARG HA H 4.200 0.030 1 831 80 80 ARG HB2 H 1.919 0.030 2 832 80 80 ARG HB3 H 1.813 0.030 2 833 80 80 ARG HD2 H 3.155 0.030 1 834 80 80 ARG HD3 H 3.155 0.030 1 835 80 80 ARG HG2 H 1.517 0.030 2 836 80 80 ARG HG3 H 1.627 0.030 2 837 80 80 ARG C C 175.885 0.300 1 838 80 80 ARG CA C 57.970 0.300 1 839 80 80 ARG CB C 29.069 0.300 1 840 80 80 ARG CD C 44.336 0.300 1 841 80 80 ARG CG C 27.702 0.300 1 842 80 80 ARG N N 126.305 0.300 1 843 81 81 LYS H H 9.306 0.030 1 844 81 81 LYS HA H 3.684 0.030 1 845 81 81 LYS HB2 H 1.997 0.030 2 846 81 81 LYS HB3 H 2.192 0.030 2 847 81 81 LYS HD2 H 1.578 0.030 2 848 81 81 LYS HD3 H 1.639 0.030 2 849 81 81 LYS HE2 H 2.953 0.030 2 850 81 81 LYS HE3 H 3.003 0.030 2 851 81 81 LYS HG2 H 1.327 0.030 2 852 81 81 LYS HG3 H 1.159 0.030 2 853 81 81 LYS C C 174.537 0.300 1 854 81 81 LYS CA C 57.716 0.300 1 855 81 81 LYS CB C 28.452 0.300 1 856 81 81 LYS CD C 28.559 0.300 1 857 81 81 LYS CE C 42.293 0.300 1 858 81 81 LYS CG C 24.774 0.300 1 859 81 81 LYS N N 113.330 0.300 1 860 82 82 ASP H H 7.718 0.030 1 861 82 82 ASP HA H 4.676 0.030 1 862 82 82 ASP HB2 H 3.101 0.030 2 863 82 82 ASP HB3 H 2.371 0.030 2 864 82 82 ASP C C 175.990 0.300 1 865 82 82 ASP CA C 52.225 0.300 1 866 82 82 ASP CB C 41.066 0.300 1 867 82 82 ASP N N 117.857 0.300 1 868 83 83 GLY H H 8.313 0.030 1 869 83 83 GLY HA2 H 3.306 0.030 2 870 83 83 GLY HA3 H 4.521 0.030 2 871 83 83 GLY C C 171.976 0.300 1 872 83 83 GLY CA C 46.285 0.300 1 873 83 83 GLY N N 109.232 0.300 1 874 84 84 SER H H 8.530 0.030 1 875 84 84 SER HA H 6.032 0.030 1 876 84 84 SER HB2 H 3.999 0.030 2 877 84 84 SER HB3 H 4.141 0.030 2 878 84 84 SER C C 173.768 0.300 1 879 84 84 SER CA C 56.675 0.300 1 880 84 84 SER CB C 68.459 0.300 1 881 84 84 SER N N 115.321 0.300 1 882 85 85 PHE H H 9.410 0.030 1 883 85 85 PHE HA H 5.396 0.030 1 884 85 85 PHE HB2 H 2.632 0.030 2 885 85 85 PHE HB3 H 2.736 0.030 2 886 85 85 PHE HD1 H 7.088 0.030 1 887 85 85 PHE HD2 H 7.088 0.030 1 888 85 85 PHE HE1 H 7.245 0.030 1 889 85 85 PHE HE2 H 7.245 0.030 1 890 85 85 PHE HZ H 7.355 0.030 1 891 85 85 PHE C C 175.042 0.300 1 892 85 85 PHE CA C 56.533 0.300 1 893 85 85 PHE CB C 43.278 0.300 1 894 85 85 PHE CD1 C 131.516 0.300 1 895 85 85 PHE CD2 C 131.516 0.300 1 896 85 85 PHE CE1 C 130.758 0.300 1 897 85 85 PHE CE2 C 130.758 0.300 1 898 85 85 PHE CZ C 130.599 0.300 1 899 85 85 PHE N N 117.280 0.300 1 900 86 86 ILE H H 9.083 0.030 1 901 86 86 ILE HA H 4.881 0.030 1 902 86 86 ILE HB H 1.552 0.030 1 903 86 86 ILE HD1 H 0.613 0.030 1 904 86 86 ILE HG12 H 1.320 0.030 2 905 86 86 ILE HG13 H 0.735 0.030 2 906 86 86 ILE HG2 H 0.884 0.030 1 907 86 86 ILE C C 172.937 0.300 1 908 86 86 ILE CA C 59.303 0.300 1 909 86 86 ILE CB C 41.754 0.300 1 910 86 86 ILE CD1 C 13.836 0.300 1 911 86 86 ILE CG1 C 28.584 0.300 1 912 86 86 ILE CG2 C 16.707 0.300 1 913 86 86 ILE N N 119.158 0.300 1 914 87 87 VAL H H 8.911 0.030 1 915 87 87 VAL HA H 4.624 0.030 1 916 87 87 VAL HB H -0.048 0.030 1 917 87 87 VAL HG1 H 0.411 0.030 1 918 87 87 VAL HG2 H 0.393 0.030 1 919 87 87 VAL C C 174.669 0.300 1 920 87 87 VAL CA C 59.940 0.300 1 921 87 87 VAL CB C 31.819 0.300 1 922 87 87 VAL CG1 C 21.923 0.300 2 923 87 87 VAL CG2 C 21.597 0.300 2 924 87 87 VAL N N 128.587 0.300 1 925 88 88 ARG H H 8.784 0.030 1 926 88 88 ARG HA H 5.074 0.030 1 927 88 88 ARG HB2 H 1.585 0.030 2 928 88 88 ARG HB3 H 1.777 0.030 2 929 88 88 ARG HD2 H 3.011 0.030 1 930 88 88 ARG HD3 H 3.011 0.030 1 931 88 88 ARG HG2 H 1.422 0.030 1 932 88 88 ARG HG3 H 1.422 0.030 1 933 88 88 ARG C C 175.429 0.300 1 934 88 88 ARG CA C 54.299 0.300 1 935 88 88 ARG CB C 33.292 0.300 1 936 88 88 ARG CD C 43.407 0.300 1 937 88 88 ARG CG C 28.500 0.300 1 938 88 88 ARG N N 124.136 0.300 1 939 89 89 TYR HA H 5.812 0.030 1 940 89 89 TYR HB2 H 2.836 0.030 2 941 89 89 TYR HB3 H 2.638 0.030 2 942 89 89 TYR HD1 H 6.666 0.030 1 943 89 89 TYR HD2 H 6.666 0.030 1 944 89 89 TYR HE1 H 6.417 0.030 1 945 89 89 TYR HE2 H 6.417 0.030 1 946 89 89 TYR C C 172.398 0.300 1 947 89 89 TYR CA C 55.050 0.300 1 948 89 89 TYR CB C 41.785 0.300 1 949 89 89 TYR CD1 C 133.175 0.300 1 950 89 89 TYR CD2 C 133.175 0.300 1 951 89 89 TYR CE1 C 116.865 0.300 1 952 89 89 TYR CE2 C 116.865 0.300 1 953 90 90 ARG H H 8.787 0.030 1 954 90 90 ARG HA H 4.872 0.030 1 955 90 90 ARG HB2 H 1.569 0.030 2 956 90 90 ARG HB3 H 1.608 0.030 2 957 90 90 ARG HD2 H 3.052 0.030 2 958 90 90 ARG HD3 H 3.014 0.030 2 959 90 90 ARG HG2 H 1.121 0.030 2 960 90 90 ARG HG3 H 1.263 0.030 2 961 90 90 ARG C C 174.122 0.300 1 962 90 90 ARG CA C 54.102 0.300 1 963 90 90 ARG CB C 33.255 0.300 1 964 90 90 ARG CD C 43.457 0.300 1 965 90 90 ARG CG C 27.152 0.300 1 966 90 90 ARG N N 121.500 0.300 1 967 91 91 MET H H 8.753 0.030 1 968 91 91 MET HA H 4.868 0.030 1 969 91 91 MET HB2 H 2.678 0.030 2 970 91 91 MET HB3 H 2.770 0.030 2 971 91 91 MET HE H 2.100 0.030 1 972 91 91 MET HG2 H 2.445 0.030 2 973 91 91 MET HG3 H 2.162 0.030 2 974 91 91 MET C C 176.759 0.300 1 975 91 91 MET CA C 54.539 0.300 1 976 91 91 MET CB C 31.875 0.300 1 977 91 91 MET CE C 16.706 0.300 1 978 91 91 MET CG C 32.003 0.300 1 979 91 91 MET N N 122.738 0.300 1 980 92 92 TYR H H 8.568 0.030 1 981 92 92 TYR HA H 4.697 0.030 1 982 92 92 TYR HB2 H 2.629 0.030 2 983 92 92 TYR HB3 H 3.387 0.030 2 984 92 92 TYR HD1 H 7.020 0.030 1 985 92 92 TYR HD2 H 7.020 0.030 1 986 92 92 TYR HE1 H 6.686 0.030 1 987 92 92 TYR HE2 H 6.686 0.030 1 988 92 92 TYR C C 174.150 0.300 1 989 92 92 TYR CA C 57.698 0.300 1 990 92 92 TYR CB C 38.220 0.300 1 991 92 92 TYR CD1 C 132.861 0.300 1 992 92 92 TYR CD2 C 132.861 0.300 1 993 92 92 TYR CE1 C 117.936 0.300 1 994 92 92 TYR CE2 C 117.936 0.300 1 995 92 92 TYR N N 121.326 0.300 1 996 93 93 ALA H H 7.766 0.030 1 997 93 93 ALA HA H 4.361 0.030 1 998 93 93 ALA HB H 1.242 0.030 1 999 93 93 ALA C C 174.887 0.300 1 1000 93 93 ALA CA C 50.856 0.300 1 1001 93 93 ALA CB C 21.249 0.300 1 1002 93 93 ALA N N 120.762 0.300 1 1003 94 94 SER H H 8.053 0.030 1 1004 94 94 SER HA H 4.428 0.030 1 1005 94 94 SER HB2 H 3.636 0.030 2 1006 94 94 SER HB3 H 3.698 0.030 2 1007 94 94 SER CA C 57.593 0.300 1 1008 94 94 SER CB C 63.442 0.300 1 1009 94 94 SER N N 113.257 0.300 1 1010 95 95 TYR HA H 4.864 0.030 1 1011 95 95 TYR HB2 H 3.151 0.030 2 1012 95 95 TYR HB3 H 2.511 0.030 2 1013 95 95 TYR HD1 H 7.056 0.030 1 1014 95 95 TYR HD2 H 7.056 0.030 1 1015 95 95 TYR HE1 H 6.693 0.030 1 1016 95 95 TYR HE2 H 6.693 0.030 1 1017 95 95 TYR CA C 56.683 0.300 1 1018 95 95 TYR CB C 41.406 0.300 1 1019 95 95 TYR CD1 C 133.914 0.300 1 1020 95 95 TYR CD2 C 133.914 0.300 1 1021 95 95 TYR CE1 C 117.941 0.300 1 1022 95 95 TYR CE2 C 117.941 0.300 1 1023 96 96 LYS HA H 4.149 0.030 1 1024 96 96 LYS HB2 H 1.818 0.030 1 1025 96 96 LYS HB3 H 1.818 0.030 1 1026 96 96 LYS HD2 H 1.666 0.030 1 1027 96 96 LYS HD3 H 1.666 0.030 1 1028 96 96 LYS HE2 H 2.963 0.030 1 1029 96 96 LYS HE3 H 2.963 0.030 1 1030 96 96 LYS HG2 H 1.406 0.030 1 1031 96 96 LYS HG3 H 1.406 0.030 1 1032 96 96 LYS C C 176.533 0.300 1 1033 96 96 LYS CA C 58.358 0.300 1 1034 96 96 LYS CB C 33.335 0.300 1 1035 96 96 LYS CD C 29.051 0.300 1 1036 96 96 LYS CE C 42.375 0.300 1 1037 96 96 LYS CG C 25.044 0.300 1 1038 97 97 ASN H H 7.800 0.030 1 1039 97 97 ASN HA H 5.228 0.030 1 1040 97 97 ASN HB2 H 2.691 0.030 2 1041 97 97 ASN HB3 H 2.612 0.030 2 1042 97 97 ASN HD21 H 7.740 0.030 2 1043 97 97 ASN HD22 H 6.829 0.030 2 1044 97 97 ASN C C 173.012 0.300 1 1045 97 97 ASN CA C 52.479 0.300 1 1046 97 97 ASN CB C 41.813 0.300 1 1047 97 97 ASN N N 115.105 0.300 1 1048 97 97 ASN ND2 N 113.444 0.300 1 1049 98 98 LEU H H 8.415 0.030 1 1050 98 98 LEU HA H 4.872 0.030 1 1051 98 98 LEU HB2 H 1.198 0.030 2 1052 98 98 LEU HB3 H 1.379 0.030 2 1053 98 98 LEU HD1 H 0.767 0.030 1 1054 98 98 LEU HD2 H 0.661 0.030 1 1055 98 98 LEU HG H 1.368 0.030 1 1056 98 98 LEU C C 174.497 0.300 1 1057 98 98 LEU CA C 53.499 0.300 1 1058 98 98 LEU CB C 47.876 0.300 1 1059 98 98 LEU CD1 C 25.323 0.300 2 1060 98 98 LEU CD2 C 24.104 0.300 2 1061 98 98 LEU CG C 26.944 0.300 1 1062 98 98 LEU N N 119.437 0.300 1 1063 99 99 LYS H H 9.162 0.030 1 1064 99 99 LYS HA H 5.126 0.030 1 1065 99 99 LYS HB2 H 1.389 0.030 2 1066 99 99 LYS HB3 H 1.761 0.030 2 1067 99 99 LYS HD2 H 1.492 0.030 1 1068 99 99 LYS HD3 H 1.492 0.030 1 1069 99 99 LYS HE2 H 2.684 0.030 1 1070 99 99 LYS HE3 H 2.684 0.030 1 1071 99 99 LYS HG2 H 1.131 0.030 1 1072 99 99 LYS HG3 H 1.131 0.030 1 1073 99 99 LYS C C 174.647 0.300 1 1074 99 99 LYS CA C 54.800 0.300 1 1075 99 99 LYS CB C 35.126 0.300 1 1076 99 99 LYS CD C 29.542 0.300 1 1077 99 99 LYS CE C 41.635 0.300 1 1078 99 99 LYS CG C 25.449 0.300 1 1079 99 99 LYS N N 123.684 0.300 1 1080 100 100 VAL H H 9.404 0.030 1 1081 100 100 VAL HA H 4.595 0.030 1 1082 100 100 VAL HB H 1.830 0.030 1 1083 100 100 VAL HG1 H 0.546 0.030 1 1084 100 100 VAL HG2 H 0.549 0.030 1 1085 100 100 VAL C C 174.487 0.300 1 1086 100 100 VAL CA C 61.402 0.300 1 1087 100 100 VAL CB C 33.341 0.300 1 1088 100 100 VAL CG1 C 21.005 0.300 2 1089 100 100 VAL CG2 C 20.580 0.300 2 1090 100 100 VAL N N 127.373 0.300 1 1091 101 101 GLU H H 9.169 0.030 1 1092 101 101 GLU HA H 5.230 0.030 1 1093 101 101 GLU HB2 H 1.989 0.030 2 1094 101 101 GLU HB3 H 1.852 0.030 2 1095 101 101 GLU HG2 H 2.156 0.030 2 1096 101 101 GLU HG3 H 1.998 0.030 2 1097 101 101 GLU C C 175.056 0.300 1 1098 101 101 GLU CA C 53.974 0.300 1 1099 101 101 GLU CB C 33.833 0.300 1 1100 101 101 GLU CG C 38.382 0.300 1 1101 101 101 GLU N N 125.858 0.300 1 1102 102 102 ILE H H 9.192 0.030 1 1103 102 102 ILE HA H 4.955 0.030 1 1104 102 102 ILE HB H 1.789 0.030 1 1105 102 102 ILE HD1 H 1.003 0.030 1 1106 102 102 ILE HG12 H 1.215 0.030 2 1107 102 102 ILE HG13 H 1.706 0.030 2 1108 102 102 ILE HG2 H 0.650 0.030 1 1109 102 102 ILE C C 174.100 0.300 1 1110 102 102 ILE CA C 61.841 0.300 1 1111 102 102 ILE CB C 41.575 0.300 1 1112 102 102 ILE CD1 C 18.637 0.300 1 1113 102 102 ILE CG1 C 30.810 0.300 1 1114 102 102 ILE CG2 C 21.731 0.300 1 1115 102 102 ILE N N 124.035 0.300 1 1116 103 103 LYS H H 8.964 0.030 1 1117 103 103 LYS HA H 5.393 0.030 1 1118 103 103 LYS HB2 H 1.547 0.030 2 1119 103 103 LYS HB3 H 1.169 0.030 2 1120 103 103 LYS HD2 H 1.201 0.030 2 1121 103 103 LYS HD3 H 0.917 0.030 2 1122 103 103 LYS HE2 H 1.886 0.030 2 1123 103 103 LYS HE3 H 2.015 0.030 2 1124 103 103 LYS HG2 H 0.961 0.030 2 1125 103 103 LYS HG3 H 0.338 0.030 2 1126 103 103 LYS C C 174.972 0.300 1 1127 103 103 LYS CA C 54.472 0.300 1 1128 103 103 LYS CB C 38.463 0.300 1 1129 103 103 LYS CD C 29.462 0.300 1 1130 103 103 LYS CE C 41.212 0.300 1 1131 103 103 LYS CG C 25.436 0.300 1 1132 103 103 LYS N N 123.533 0.300 1 1133 104 104 PHE H H 9.075 0.030 1 1134 104 104 PHE HA H 5.014 0.030 1 1135 104 104 PHE HB2 H 2.573 0.030 2 1136 104 104 PHE HB3 H 2.842 0.030 2 1137 104 104 PHE HD1 H 6.983 0.030 1 1138 104 104 PHE HD2 H 6.983 0.030 1 1139 104 104 PHE HE1 H 7.185 0.030 1 1140 104 104 PHE HE2 H 7.185 0.030 1 1141 104 104 PHE HZ H 7.251 0.030 1 1142 104 104 PHE C C 174.652 0.300 1 1143 104 104 PHE CA C 56.061 0.300 1 1144 104 104 PHE CB C 42.433 0.300 1 1145 104 104 PHE CD1 C 132.183 0.300 1 1146 104 104 PHE CD2 C 132.183 0.300 1 1147 104 104 PHE CE1 C 131.296 0.300 1 1148 104 104 PHE CE2 C 131.296 0.300 1 1149 104 104 PHE CZ C 130.834 0.300 1 1150 104 104 PHE N N 120.834 0.300 1 1151 105 105 GLN H H 9.169 0.030 1 1152 105 105 GLN HA H 3.520 0.030 1 1153 105 105 GLN HB2 H 1.392 0.030 2 1154 105 105 GLN HB3 H 1.849 0.030 2 1155 105 105 GLN HE21 H 7.035 0.030 2 1156 105 105 GLN HE22 H 6.767 0.030 2 1157 105 105 GLN HG2 H 1.063 0.030 2 1158 105 105 GLN HG3 H 1.502 0.030 2 1159 105 105 GLN C C 176.190 0.300 1 1160 105 105 GLN CA C 56.446 0.300 1 1161 105 105 GLN CB C 26.036 0.300 1 1162 105 105 GLN CG C 33.410 0.300 1 1163 105 105 GLN N N 126.652 0.300 1 1164 105 105 GLN NE2 N 111.285 0.300 1 1165 106 106 GLY H H 8.629 0.030 1 1166 106 106 GLY HA2 H 3.431 0.030 2 1167 106 106 GLY HA3 H 4.106 0.030 2 1168 106 106 GLY C C 173.629 0.300 1 1169 106 106 GLY CA C 45.436 0.300 1 1170 106 106 GLY N N 102.942 0.300 1 1171 107 107 GLN H H 8.179 0.030 1 1172 107 107 GLN HA H 4.616 0.030 1 1173 107 107 GLN HB2 H 2.244 0.030 1 1174 107 107 GLN HB3 H 2.244 0.030 1 1175 107 107 GLN HE21 H 7.123 0.030 2 1176 107 107 GLN HE22 H 7.476 0.030 2 1177 107 107 GLN HG2 H 2.414 0.030 2 1178 107 107 GLN HG3 H 2.462 0.030 2 1179 107 107 GLN C C 175.845 0.300 1 1180 107 107 GLN CA C 53.902 0.300 1 1181 107 107 GLN CB C 30.962 0.300 1 1182 107 107 GLN CG C 33.739 0.300 1 1183 107 107 GLN N N 120.913 0.300 1 1184 107 107 GLN NE2 N 112.001 0.300 1 1185 108 108 HIS H H 8.769 0.030 1 1186 108 108 HIS HA H 4.517 0.030 1 1187 108 108 HIS HB2 H 2.921 0.030 1 1188 108 108 HIS HB3 H 2.921 0.030 1 1189 108 108 HIS HD2 H 7.168 0.030 1 1190 108 108 HIS HE1 H 7.742 0.030 1 1191 108 108 HIS C C 175.437 0.300 1 1192 108 108 HIS CA C 58.925 0.300 1 1193 108 108 HIS CB C 32.794 0.300 1 1194 108 108 HIS CD2 C 118.180 0.300 1 1195 108 108 HIS CE1 C 137.555 0.300 1 1196 108 108 HIS N N 123.347 0.300 1 1197 109 109 VAL H H 8.645 0.030 1 1198 109 109 VAL HA H 4.181 0.030 1 1199 109 109 VAL HB H 1.688 0.030 1 1200 109 109 VAL HG1 H 0.981 0.030 1 1201 109 109 VAL HG2 H 1.149 0.030 1 1202 109 109 VAL C C 174.930 0.300 1 1203 109 109 VAL CA C 60.148 0.300 1 1204 109 109 VAL CB C 33.270 0.300 1 1205 109 109 VAL CG1 C 22.093 0.300 2 1206 109 109 VAL CG2 C 23.833 0.300 2 1207 109 109 VAL N N 124.454 0.300 1 1208 110 110 ALA H H 8.811 0.030 1 1209 110 110 ALA HA H 4.059 0.030 1 1210 110 110 ALA HB H 1.722 0.030 1 1211 110 110 ALA C C 177.761 0.300 1 1212 110 110 ALA CA C 54.412 0.300 1 1213 110 110 ALA CB C 16.662 0.300 1 1214 110 110 ALA N N 126.748 0.300 1 1215 111 111 LYS H H 7.866 0.030 1 1216 111 111 LYS HA H 4.464 0.030 1 1217 111 111 LYS HB2 H 1.436 0.030 2 1218 111 111 LYS HB3 H 1.911 0.030 2 1219 111 111 LYS HD2 H 1.654 0.030 1 1220 111 111 LYS HD3 H 1.654 0.030 1 1221 111 111 LYS HE2 H 3.001 0.030 1 1222 111 111 LYS HE3 H 3.001 0.030 1 1223 111 111 LYS HG2 H 1.371 0.030 2 1224 111 111 LYS HG3 H 1.553 0.030 2 1225 111 111 LYS C C 173.959 0.300 1 1226 111 111 LYS CA C 54.567 0.300 1 1227 111 111 LYS CB C 30.623 0.300 1 1228 111 111 LYS CD C 28.640 0.300 1 1229 111 111 LYS CE C 42.211 0.300 1 1230 111 111 LYS CG C 24.774 0.300 1 1231 111 111 LYS N N 122.278 0.300 1 1232 112 112 SER H H 7.947 0.030 1 1233 112 112 SER HA H 3.932 0.030 1 1234 112 112 SER HB2 H 4.419 0.030 2 1235 112 112 SER HB3 H 4.217 0.030 2 1236 112 112 SER C C 172.840 0.300 1 1237 112 112 SER CA C 56.659 0.300 1 1238 112 112 SER CB C 63.145 0.300 1 1239 112 112 SER N N 114.522 0.300 1 1240 113 113 PRO HA H 5.216 0.030 1 1241 113 113 PRO HB2 H 1.595 0.030 2 1242 113 113 PRO HB3 H 2.015 0.030 2 1243 113 113 PRO HD2 H 3.198 0.030 2 1244 113 113 PRO HD3 H 2.175 0.030 2 1245 113 113 PRO HG2 H 1.795 0.030 1 1246 113 113 PRO HG3 H 1.795 0.030 1 1247 113 113 PRO C C 174.430 0.300 1 1248 113 113 PRO CA C 62.111 0.300 1 1249 113 113 PRO CB C 34.984 0.300 1 1250 113 113 PRO CD C 49.858 0.300 1 1251 113 113 PRO CG C 24.121 0.300 1 1252 114 114 TYR H H 9.076 0.030 1 1253 114 114 TYR HA H 4.424 0.030 1 1254 114 114 TYR HB2 H 2.657 0.030 1 1255 114 114 TYR HB3 H 2.657 0.030 1 1256 114 114 TYR HD1 H 6.958 0.030 1 1257 114 114 TYR HD2 H 6.958 0.030 1 1258 114 114 TYR HE1 H 6.596 0.030 1 1259 114 114 TYR HE2 H 6.596 0.030 1 1260 114 114 TYR C C 174.926 0.300 1 1261 114 114 TYR CA C 57.354 0.300 1 1262 114 114 TYR CB C 39.159 0.300 1 1263 114 114 TYR CD1 C 133.118 0.300 1 1264 114 114 TYR CD2 C 133.118 0.300 1 1265 114 114 TYR CE1 C 118.381 0.300 1 1266 114 114 TYR CE2 C 118.381 0.300 1 1267 114 114 TYR N N 120.889 0.300 1 1268 115 115 ILE H H 8.702 0.030 1 1269 115 115 ILE HA H 4.633 0.030 1 1270 115 115 ILE HB H 1.910 0.030 1 1271 115 115 ILE HD1 H 0.709 0.030 1 1272 115 115 ILE HG12 H 1.253 0.030 2 1273 115 115 ILE HG13 H 1.384 0.030 2 1274 115 115 ILE HG2 H 0.818 0.030 1 1275 115 115 ILE C C 175.820 0.300 1 1276 115 115 ILE CA C 59.697 0.300 1 1277 115 115 ILE CB C 37.073 0.300 1 1278 115 115 ILE CD1 C 11.174 0.300 1 1279 115 115 ILE CG1 C 27.422 0.300 1 1280 115 115 ILE CG2 C 17.487 0.300 1 1281 115 115 ILE N N 124.378 0.300 1 1282 116 116 LEU H H 9.094 0.030 1 1283 116 116 LEU HA H 4.653 0.030 1 1284 116 116 LEU HB2 H 1.581 0.030 1 1285 116 116 LEU HB3 H 1.581 0.030 1 1286 116 116 LEU HD1 H 0.668 0.030 1 1287 116 116 LEU HD2 H 0.605 0.030 1 1288 116 116 LEU HG H 1.410 0.030 1 1289 116 116 LEU C C 176.221 0.300 1 1290 116 116 LEU CA C 54.009 0.300 1 1291 116 116 LEU CB C 43.101 0.300 1 1292 116 116 LEU CD1 C 25.736 0.300 2 1293 116 116 LEU CD2 C 24.280 0.300 2 1294 116 116 LEU CG C 27.517 0.300 1 1295 116 116 LEU N N 130.362 0.300 1 1296 117 117 LYS H H 8.563 0.030 1 1297 117 117 LYS HA H 4.735 0.030 1 1298 117 117 LYS HB2 H 1.817 0.030 1 1299 117 117 LYS HB3 H 1.817 0.030 1 1300 117 117 LYS HD2 H 1.664 0.030 1 1301 117 117 LYS HD3 H 1.664 0.030 1 1302 117 117 LYS HE2 H 2.969 0.030 1 1303 117 117 LYS HE3 H 2.969 0.030 1 1304 117 117 LYS HG2 H 1.433 0.030 2 1305 117 117 LYS HG3 H 1.512 0.030 2 1306 117 117 LYS C C 176.745 0.300 1 1307 117 117 LYS CA C 56.146 0.300 1 1308 117 117 LYS CB C 33.853 0.300 1 1309 117 117 LYS CD C 29.334 0.300 1 1310 117 117 LYS CE C 42.050 0.300 1 1311 117 117 LYS CG C 25.070 0.300 1 1312 117 117 LYS N N 123.139 0.300 1 1313 118 118 GLY H H 8.128 0.030 1 1314 118 118 GLY HA2 H 4.134 0.030 2 1315 118 118 GLY HA3 H 3.944 0.030 2 1316 118 118 GLY C C 173.467 0.300 1 1317 118 118 GLY CA C 44.756 0.300 1 1318 118 118 GLY N N 110.630 0.300 1 1319 119 119 SER HA H 4.598 0.030 1 1320 119 119 SER HB2 H 3.865 0.030 2 1321 119 119 SER HB3 H 3.693 0.030 2 1322 119 119 SER CA C 58.022 0.300 1 1323 119 119 SER CB C 65.024 0.300 1 1324 120 120 GLY H H 8.469 0.030 1 1325 120 120 GLY HA2 H 4.094 0.030 1 1326 120 120 GLY HA3 H 4.094 0.030 1 1327 120 120 GLY CA C 44.665 0.300 1 1328 120 120 GLY N N 109.724 0.300 1 1329 121 121 PRO HA H 4.433 0.030 1 1330 121 121 PRO HB2 H 2.264 0.030 2 1331 121 121 PRO HB3 H 1.963 0.030 2 1332 121 121 PRO HD2 H 3.591 0.030 1 1333 121 121 PRO HD3 H 3.591 0.030 1 1334 121 121 PRO HG2 H 1.994 0.030 1 1335 121 121 PRO HG3 H 1.994 0.030 1 1336 121 121 PRO CA C 63.473 0.300 1 1337 121 121 PRO CB C 32.188 0.300 1 1338 121 121 PRO CD C 49.760 0.300 1 1339 121 121 PRO CG C 27.202 0.300 1 1340 123 123 SER HA H 4.463 0.030 1 1341 123 123 SER HB2 H 3.852 0.030 1 1342 123 123 SER HB3 H 3.852 0.030 1 1343 123 123 SER C C 173.880 0.300 1 1344 123 123 SER CA C 58.474 0.300 1 1345 123 123 SER CB C 64.036 0.300 1 1346 124 124 GLY H H 7.989 0.030 1 1347 124 124 GLY HA2 H 3.772 0.030 2 1348 124 124 GLY HA3 H 3.740 0.030 2 1349 124 124 GLY C C 173.861 0.300 1 1350 124 124 GLY CA C 46.243 0.300 1 1351 124 124 GLY N N 116.700 0.300 1 stop_ save_