data_11133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth CH domain from human L-plastin ; _BMRB_accession_number 11133 _BMRB_flat_file_name bmr11133.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 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" 658 "13C chemical shifts" 497 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fourth CH domain from human L-plastin' _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 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 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 L-plastin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH 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 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGNDDIIVNWVNETL REAEKSSSISSFKDPKISTS LPVLDLIDAIQPGSINYDLL KTENLNDDEKLNNAKYAISM ARKIGARVYALPEDLVEVNP KMVMTVFACLMGKGMKRVSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ASP 10 ASP 11 ILE 12 ILE 13 VAL 14 ASN 15 TRP 16 VAL 17 ASN 18 GLU 19 THR 20 LEU 21 ARG 22 GLU 23 ALA 24 GLU 25 LYS 26 SER 27 SER 28 SER 29 ILE 30 SER 31 SER 32 PHE 33 LYS 34 ASP 35 PRO 36 LYS 37 ILE 38 SER 39 THR 40 SER 41 LEU 42 PRO 43 VAL 44 LEU 45 ASP 46 LEU 47 ILE 48 ASP 49 ALA 50 ILE 51 GLN 52 PRO 53 GLY 54 SER 55 ILE 56 ASN 57 TYR 58 ASP 59 LEU 60 LEU 61 LYS 62 THR 63 GLU 64 ASN 65 LEU 66 ASN 67 ASP 68 ASP 69 GLU 70 LYS 71 LEU 72 ASN 73 ASN 74 ALA 75 LYS 76 TYR 77 ALA 78 ILE 79 SER 80 MET 81 ALA 82 ARG 83 LYS 84 ILE 85 GLY 86 ALA 87 ARG 88 VAL 89 TYR 90 ALA 91 LEU 92 PRO 93 GLU 94 ASP 95 LEU 96 VAL 97 GLU 98 VAL 99 ASN 100 PRO 101 LYS 102 MET 103 VAL 104 MET 105 THR 106 VAL 107 PHE 108 ALA 109 CYS 110 LEU 111 MET 112 GLY 113 LYS 114 GLY 115 MET 116 LYS 117 ARG 118 VAL 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY 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 2D85 "Solution Structure Of The Fourth Ch Domain From Human L- Plastin" 100.00 124 100.00 100.00 1.24e-82 DBJ BAD97025 "L-plastin variant [Homo sapiens]" 92.74 627 97.39 97.39 1.44e-67 DBJ BAG35310 "unnamed protein product [Homo sapiens]" 92.74 627 97.39 97.39 1.37e-67 GB AAA63236 "phosphoprotein p65 [Homo sapiens]" 92.74 627 97.39 97.39 1.37e-67 GB AAB02845 "L-plastin polypeptide [Homo sapiens]" 92.74 570 97.39 97.39 4.56e-68 GB AAH07673 "Lymphocyte cytosolic protein 1 (L-plastin) [Homo sapiens]" 92.74 627 97.39 97.39 1.37e-67 GB AAH10271 "Lymphocyte cytosolic protein 1 (L-plastin) [Homo sapiens]" 92.74 627 97.39 97.39 1.37e-67 GB ABM83861 "lymphocyte cytosolic protein 1 (L-plastin) [synthetic construct]" 92.74 627 97.39 97.39 1.37e-67 REF XP_001157685 "PREDICTED: plastin-2 [Pan troglodytes]" 92.74 627 97.39 97.39 1.37e-67 REF XP_001158161 "PREDICTED: plastin-2 [Pan troglodytes]" 92.74 627 97.39 97.39 1.37e-67 REF XP_002824296 "PREDICTED: plastin-2 isoform X1 [Pongo abelii]" 92.74 627 97.39 97.39 1.37e-67 REF XP_002824297 "PREDICTED: plastin-2 isoform X1 [Pongo abelii]" 92.74 627 97.39 97.39 1.37e-67 REF XP_003270105 "PREDICTED: plastin-2 isoform X2 [Nomascus leucogenys]" 92.74 627 97.39 97.39 1.37e-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_name $entity_1 'cell free synthesis' . Escherichia coli . P050111-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 220 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'CH 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 3.767 0.030 1 2 1 1 GLY HA3 H 3.767 0.030 1 3 1 1 GLY CA C 41.382 0.300 1 4 6 6 SER HA H 4.428 0.030 1 5 6 6 SER HB2 H 3.842 0.030 2 6 6 6 SER C C 172.651 0.300 1 7 6 6 SER CA C 56.261 0.300 1 8 6 6 SER CB C 61.445 0.300 1 9 7 7 GLY H H 8.417 0.030 1 10 7 7 GLY HA2 H 3.931 0.030 1 11 7 7 GLY HA3 H 3.931 0.030 1 12 7 7 GLY C C 172.041 0.300 1 13 7 7 GLY CA C 43.340 0.300 1 14 7 7 GLY N N 110.289 0.300 1 15 8 8 ASN H H 8.290 0.030 1 16 8 8 ASN HA H 4.639 0.030 1 17 8 8 ASN HB2 H 2.709 0.030 2 18 8 8 ASN HB3 H 2.791 0.030 2 19 8 8 ASN C C 173.721 0.300 1 20 8 8 ASN CA C 51.834 0.300 1 21 8 8 ASN CB C 36.667 0.300 1 22 8 8 ASN N N 118.763 0.300 1 23 9 9 ASP H H 8.469 0.030 1 24 9 9 ASP HA H 4.415 0.030 1 25 9 9 ASP HB2 H 2.639 0.030 2 26 9 9 ASP HB3 H 2.575 0.030 2 27 9 9 ASP C C 174.657 0.300 1 28 9 9 ASP CA C 54.709 0.300 1 29 9 9 ASP CB C 38.164 0.300 1 30 9 9 ASP N N 120.254 0.300 1 31 10 10 ASP H H 8.039 0.030 1 32 10 10 ASP HA H 4.415 0.030 1 33 10 10 ASP HB2 H 2.595 0.030 2 34 10 10 ASP HB3 H 2.621 0.030 2 35 10 10 ASP CA C 54.755 0.300 1 36 10 10 ASP CB C 38.706 0.300 1 37 10 10 ASP N N 118.304 0.300 1 38 11 11 ILE H H 7.611 0.030 1 39 11 11 ILE HA H 3.741 0.030 1 40 11 11 ILE HB H 1.932 0.030 1 41 11 11 ILE HD1 H 0.822 0.030 1 42 11 11 ILE HG12 H 1.579 0.030 2 43 11 11 ILE HG13 H 1.195 0.030 2 44 11 11 ILE HG2 H 0.852 0.030 1 45 11 11 ILE CA C 62.161 0.300 1 46 11 11 ILE CB C 35.730 0.300 1 47 11 11 ILE CD1 C 10.637 0.300 1 48 11 11 ILE CG1 C 26.283 0.300 1 49 11 11 ILE CG2 C 14.971 0.300 1 50 11 11 ILE N N 115.199 0.300 1 51 12 12 ILE HA H 4.089 0.030 1 52 12 12 ILE HB H 2.154 0.030 1 53 12 12 ILE HD1 H 0.906 0.030 1 54 12 12 ILE HG12 H 1.035 0.030 2 55 12 12 ILE HG13 H 1.839 0.030 2 56 12 12 ILE HG2 H 1.048 0.030 1 57 12 12 ILE C C 175.418 0.300 1 58 12 12 ILE CA C 62.652 0.300 1 59 12 12 ILE CB C 36.411 0.300 1 60 12 12 ILE CD1 C 12.105 0.300 1 61 12 12 ILE CG1 C 26.199 0.300 1 62 12 12 ILE CG2 C 16.047 0.300 1 63 13 13 VAL H H 8.137 0.030 1 64 13 13 VAL HA H 2.885 0.030 1 65 13 13 VAL HB H 1.715 0.030 1 66 13 13 VAL HG1 H 0.437 0.030 1 67 13 13 VAL HG2 H 0.059 0.030 1 68 13 13 VAL C C 174.760 0.300 1 69 13 13 VAL CA C 65.245 0.300 1 70 13 13 VAL CB C 29.421 0.300 1 71 13 13 VAL CG1 C 18.937 0.300 2 72 13 13 VAL CG2 C 20.488 0.300 2 73 13 13 VAL N N 119.964 0.300 1 74 14 14 ASN H H 8.184 0.030 1 75 14 14 ASN HA H 4.338 0.030 1 76 14 14 ASN HB2 H 2.729 0.030 2 77 14 14 ASN HB3 H 2.788 0.030 2 78 14 14 ASN HD21 H 7.524 0.030 2 79 14 14 ASN HD22 H 6.892 0.030 2 80 14 14 ASN C C 175.091 0.300 1 81 14 14 ASN CA C 53.986 0.300 1 82 14 14 ASN CB C 35.616 0.300 1 83 14 14 ASN N N 114.453 0.300 1 84 14 14 ASN ND2 N 112.259 0.300 1 85 15 15 TRP H H 7.844 0.030 1 86 15 15 TRP HA H 4.049 0.030 1 87 15 15 TRP HB2 H 3.677 0.030 2 88 15 15 TRP HB3 H 3.293 0.030 2 89 15 15 TRP HD1 H 7.275 0.030 1 90 15 15 TRP HE1 H 10.033 0.030 1 91 15 15 TRP HE3 H 7.433 0.030 1 92 15 15 TRP HH2 H 6.814 0.030 1 93 15 15 TRP HZ2 H 7.195 0.030 1 94 15 15 TRP HZ3 H 6.836 0.030 1 95 15 15 TRP C C 177.184 0.300 1 96 15 15 TRP CA C 60.438 0.300 1 97 15 15 TRP CB C 26.132 0.300 1 98 15 15 TRP CD1 C 125.066 0.300 1 99 15 15 TRP CE3 C 118.316 0.300 1 100 15 15 TRP CH2 C 121.008 0.300 1 101 15 15 TRP CZ2 C 112.339 0.300 1 102 15 15 TRP CZ3 C 118.358 0.300 1 103 15 15 TRP N N 121.274 0.300 1 104 15 15 TRP NE1 N 130.317 0.300 1 105 16 16 VAL H H 9.032 0.030 1 106 16 16 VAL HA H 2.866 0.030 1 107 16 16 VAL HB H 2.114 0.030 1 108 16 16 VAL HG1 H 0.579 0.030 1 109 16 16 VAL HG2 H 1.102 0.030 1 110 16 16 VAL C C 174.743 0.300 1 111 16 16 VAL CA C 64.611 0.300 1 112 16 16 VAL CB C 29.437 0.300 1 113 16 16 VAL CG1 C 18.307 0.300 2 114 16 16 VAL CG2 C 21.536 0.300 2 115 16 16 VAL N N 123.152 0.300 1 116 17 17 ASN H H 8.044 0.030 1 117 17 17 ASN HA H 4.353 0.030 1 118 17 17 ASN HB2 H 2.532 0.030 2 119 17 17 ASN HB3 H 2.621 0.030 2 120 17 17 ASN HD21 H 7.160 0.030 2 121 17 17 ASN HD22 H 7.788 0.030 2 122 17 17 ASN C C 176.816 0.300 1 123 17 17 ASN CA C 53.608 0.300 1 124 17 17 ASN CB C 35.082 0.300 1 125 17 17 ASN N N 115.928 0.300 1 126 17 17 ASN ND2 N 110.579 0.300 1 127 18 18 GLU H H 8.330 0.030 1 128 18 18 GLU HA H 3.867 0.030 1 129 18 18 GLU HB2 H 1.812 0.030 2 130 18 18 GLU HB3 H 1.924 0.030 2 131 18 18 GLU HG2 H 2.111 0.030 2 132 18 18 GLU HG3 H 2.190 0.030 2 133 18 18 GLU C C 175.849 0.300 1 134 18 18 GLU CA C 57.078 0.300 1 135 18 18 GLU CB C 27.267 0.300 1 136 18 18 GLU CG C 33.867 0.300 1 137 18 18 GLU N N 121.598 0.300 1 138 19 19 THR H H 7.804 0.030 1 139 19 19 THR HA H 3.394 0.030 1 140 19 19 THR HB H 3.254 0.030 1 141 19 19 THR HG2 H 0.636 0.030 1 142 19 19 THR C C 174.850 0.300 1 143 19 19 THR CA C 64.492 0.300 1 144 19 19 THR CB C 65.236 0.300 1 145 19 19 THR CG2 C 18.635 0.300 1 146 19 19 THR N N 118.512 0.300 1 147 20 20 LEU H H 8.095 0.030 1 148 20 20 LEU HA H 3.521 0.030 1 149 20 20 LEU HB2 H 1.789 0.030 2 150 20 20 LEU HB3 H 1.128 0.030 2 151 20 20 LEU HD1 H 0.600 0.030 1 152 20 20 LEU HD2 H 0.557 0.030 1 153 20 20 LEU HG H 1.695 0.030 1 154 20 20 LEU C C 175.873 0.300 1 155 20 20 LEU CA C 56.077 0.300 1 156 20 20 LEU CB C 39.381 0.300 1 157 20 20 LEU CD1 C 22.886 0.300 2 158 20 20 LEU CD2 C 20.456 0.300 2 159 20 20 LEU CG C 24.388 0.300 1 160 20 20 LEU N N 121.097 0.300 1 161 21 21 ARG H H 7.886 0.030 1 162 21 21 ARG HA H 3.963 0.030 1 163 21 21 ARG HB2 H 1.846 0.030 2 164 21 21 ARG HB3 H 1.790 0.030 2 165 21 21 ARG HD2 H 3.086 0.030 1 166 21 21 ARG HD3 H 3.086 0.030 1 167 21 21 ARG HG2 H 1.470 0.030 2 168 21 21 ARG HG3 H 1.621 0.030 2 169 21 21 ARG C C 179.171 0.300 1 170 21 21 ARG CA C 57.212 0.300 1 171 21 21 ARG CB C 27.619 0.300 1 172 21 21 ARG CD C 41.223 0.300 1 173 21 21 ARG CG C 24.773 0.300 1 174 21 21 ARG N N 118.740 0.300 1 175 22 22 GLU H H 8.291 0.030 1 176 22 22 GLU HA H 3.916 0.030 1 177 22 22 GLU HB2 H 1.985 0.030 1 178 22 22 GLU HB3 H 1.985 0.030 1 179 22 22 GLU HG2 H 2.188 0.030 2 180 22 22 GLU HG3 H 2.326 0.030 2 181 22 22 GLU C C 174.851 0.300 1 182 22 22 GLU CA C 56.748 0.300 1 183 22 22 GLU CB C 26.821 0.300 1 184 22 22 GLU CG C 34.135 0.300 1 185 22 22 GLU N N 121.189 0.300 1 186 23 23 ALA H H 7.087 0.030 1 187 23 23 ALA HA H 4.438 0.030 1 188 23 23 ALA HB H 1.415 0.030 1 189 23 23 ALA C C 172.837 0.300 1 190 23 23 ALA CA C 49.184 0.300 1 191 23 23 ALA CB C 17.365 0.300 1 192 23 23 ALA N N 118.713 0.300 1 193 24 24 GLU H H 7.879 0.030 1 194 24 24 GLU HA H 3.740 0.030 1 195 24 24 GLU HB2 H 2.100 0.030 1 196 24 24 GLU HB3 H 2.100 0.030 1 197 24 24 GLU HG2 H 2.049 0.030 1 198 24 24 GLU HG3 H 2.049 0.030 1 199 24 24 GLU C C 173.807 0.300 1 200 24 24 GLU CA C 54.965 0.300 1 201 24 24 GLU CB C 24.114 0.300 1 202 24 24 GLU CG C 34.575 0.300 1 203 24 24 GLU N N 113.207 0.300 1 204 25 25 LYS H H 7.986 0.030 1 205 25 25 LYS HA H 4.487 0.030 1 206 25 25 LYS HB2 H 1.614 0.030 2 207 25 25 LYS HB3 H 1.752 0.030 2 208 25 25 LYS HD2 H 1.612 0.030 2 209 25 25 LYS HD3 H 1.545 0.030 2 210 25 25 LYS HE2 H 3.260 0.030 2 211 25 25 LYS HE3 H 2.769 0.030 2 212 25 25 LYS HG2 H 1.399 0.030 2 213 25 25 LYS HG3 H 1.114 0.030 2 214 25 25 LYS C C 175.661 0.300 1 215 25 25 LYS CA C 50.408 0.300 1 216 25 25 LYS CB C 30.810 0.300 1 217 25 25 LYS CD C 26.842 0.300 1 218 25 25 LYS CE C 39.593 0.300 1 219 25 25 LYS CG C 21.849 0.300 1 220 25 25 LYS N N 114.951 0.300 1 221 26 26 SER H H 9.070 0.030 1 222 26 26 SER HA H 4.355 0.030 1 223 26 26 SER HB2 H 3.866 0.030 2 224 26 26 SER HB3 H 3.788 0.030 2 225 26 26 SER C C 172.419 0.300 1 226 26 26 SER CA C 56.390 0.300 1 227 26 26 SER CB C 61.594 0.300 1 228 26 26 SER N N 116.201 0.300 1 229 27 27 SER H H 6.953 0.030 1 230 27 27 SER HA H 4.350 0.030 1 231 27 27 SER HB2 H 3.558 0.030 2 232 27 27 SER HB3 H 3.639 0.030 2 233 27 27 SER C C 169.310 0.300 1 234 27 27 SER CA C 55.291 0.300 1 235 27 27 SER CB C 62.142 0.300 1 236 27 27 SER N N 114.648 0.300 1 237 28 28 SER H H 7.431 0.030 1 238 28 28 SER HA H 4.251 0.030 1 239 28 28 SER HB2 H 3.691 0.030 2 240 28 28 SER HB3 H 3.419 0.030 2 241 28 28 SER C C 171.176 0.300 1 242 28 28 SER CA C 55.664 0.300 1 243 28 28 SER CB C 62.279 0.300 1 244 28 28 SER N N 110.034 0.300 1 245 29 29 ILE H H 9.211 0.030 1 246 29 29 ILE HA H 5.004 0.030 1 247 29 29 ILE HB H 1.821 0.030 1 248 29 29 ILE HD1 H -0.004 0.030 1 249 29 29 ILE HG12 H 1.186 0.030 2 250 29 29 ILE HG13 H 0.598 0.030 2 251 29 29 ILE HG2 H 0.665 0.030 1 252 29 29 ILE C C 173.906 0.300 1 253 29 29 ILE CA C 56.638 0.300 1 254 29 29 ILE CB C 39.695 0.300 1 255 29 29 ILE CD1 C 11.304 0.300 1 256 29 29 ILE CG1 C 22.143 0.300 1 257 29 29 ILE CG2 C 16.597 0.300 1 258 29 29 ILE N N 112.068 0.300 1 259 30 30 SER H H 10.236 0.030 1 260 30 30 SER HA H 4.309 0.030 1 261 30 30 SER HB2 H 3.735 0.030 2 262 30 30 SER HB3 H 3.834 0.030 2 263 30 30 SER C C 172.519 0.300 1 264 30 30 SER CA C 56.560 0.300 1 265 30 30 SER CB C 61.692 0.300 1 266 30 30 SER N N 116.858 0.300 1 267 31 31 SER H H 7.671 0.030 1 268 31 31 SER HA H 3.917 0.030 1 269 31 31 SER HB2 H 4.120 0.030 1 270 31 31 SER HB3 H 4.120 0.030 1 271 31 31 SER C C 171.030 0.300 1 272 31 31 SER CA C 55.326 0.300 1 273 31 31 SER CB C 60.933 0.300 1 274 31 31 SER N N 111.936 0.300 1 275 32 32 PHE H H 8.472 0.030 1 276 32 32 PHE HA H 4.632 0.030 1 277 32 32 PHE HB2 H 3.620 0.030 2 278 32 32 PHE HB3 H 2.756 0.030 2 279 32 32 PHE HD1 H 7.083 0.030 1 280 32 32 PHE HD2 H 7.083 0.030 1 281 32 32 PHE HE1 H 6.977 0.030 1 282 32 32 PHE HE2 H 6.977 0.030 1 283 32 32 PHE HZ H 7.036 0.030 1 284 32 32 PHE C C 169.346 0.300 1 285 32 32 PHE CA C 55.485 0.300 1 286 32 32 PHE CB C 34.701 0.300 1 287 32 32 PHE CD1 C 128.249 0.300 1 288 32 32 PHE CD2 C 128.249 0.300 1 289 32 32 PHE CE1 C 128.989 0.300 1 290 32 32 PHE CE2 C 128.989 0.300 1 291 32 32 PHE CZ C 126.613 0.300 1 292 32 32 PHE N N 115.703 0.300 1 293 33 33 LYS H H 7.792 0.030 1 294 33 33 LYS HA H 4.556 0.030 1 295 33 33 LYS HB2 H 1.861 0.030 2 296 33 33 LYS HB3 H 1.507 0.030 2 297 33 33 LYS HD2 H 1.647 0.030 1 298 33 33 LYS HD3 H 1.647 0.030 1 299 33 33 LYS HE2 H 2.934 0.030 1 300 33 33 LYS HE3 H 2.934 0.030 1 301 33 33 LYS HG2 H 1.329 0.030 2 302 33 33 LYS HG3 H 1.411 0.030 2 303 33 33 LYS C C 174.395 0.300 1 304 33 33 LYS CA C 51.976 0.300 1 305 33 33 LYS CB C 31.033 0.300 1 306 33 33 LYS CD C 27.203 0.300 1 307 33 33 LYS CE C 39.694 0.300 1 308 33 33 LYS CG C 22.707 0.300 1 309 33 33 LYS N N 110.944 0.300 1 310 34 34 ASP H H 6.757 0.030 1 311 34 34 ASP HA H 4.438 0.030 1 312 34 34 ASP HB2 H 2.962 0.030 2 313 34 34 ASP HB3 H 2.764 0.030 2 314 34 34 ASP C C 172.885 0.300 1 315 34 34 ASP CA C 50.175 0.300 1 316 34 34 ASP CB C 40.848 0.300 1 317 34 34 ASP N N 124.293 0.300 1 318 35 35 PRO HA H 4.376 0.030 1 319 35 35 PRO HB2 H 2.410 0.030 2 320 35 35 PRO HB3 H 1.981 0.030 2 321 35 35 PRO HD2 H 3.875 0.030 2 322 35 35 PRO HD3 H 4.021 0.030 2 323 35 35 PRO HG2 H 2.006 0.030 1 324 35 35 PRO HG3 H 2.006 0.030 1 325 35 35 PRO C C 177.373 0.300 1 326 35 35 PRO CA C 62.515 0.300 1 327 35 35 PRO CB C 30.087 0.300 1 328 35 35 PRO CD C 49.148 0.300 1 329 35 35 PRO CG C 25.104 0.300 1 330 36 36 LYS H H 9.074 0.030 1 331 36 36 LYS HA H 4.157 0.030 1 332 36 36 LYS HB2 H 1.755 0.030 1 333 36 36 LYS HB3 H 1.755 0.030 1 334 36 36 LYS HD2 H 1.717 0.030 2 335 36 36 LYS HD3 H 1.772 0.030 2 336 36 36 LYS HE2 H 2.992 0.030 1 337 36 36 LYS HE3 H 2.992 0.030 1 338 36 36 LYS HG2 H 1.473 0.030 2 339 36 36 LYS HG3 H 1.562 0.030 2 340 36 36 LYS C C 177.378 0.300 1 341 36 36 LYS CA C 56.634 0.300 1 342 36 36 LYS CB C 30.027 0.300 1 343 36 36 LYS CD C 26.759 0.300 1 344 36 36 LYS CE C 39.520 0.300 1 345 36 36 LYS CG C 23.294 0.300 1 346 36 36 LYS N N 119.393 0.300 1 347 37 37 ILE H H 8.641 0.030 1 348 37 37 ILE HA H 3.297 0.030 1 349 37 37 ILE HB H 2.172 0.030 1 350 37 37 ILE HD1 H 1.306 0.030 1 351 37 37 ILE HG12 H 1.939 0.030 2 352 37 37 ILE HG13 H 0.892 0.030 2 353 37 37 ILE HG2 H 1.069 0.030 1 354 37 37 ILE C C 173.651 0.300 1 355 37 37 ILE CA C 63.265 0.300 1 356 37 37 ILE CB C 35.157 0.300 1 357 37 37 ILE CD1 C 12.303 0.300 1 358 37 37 ILE CG1 C 30.685 0.300 1 359 37 37 ILE CG2 C 15.738 0.300 1 360 37 37 ILE N N 120.378 0.300 1 361 38 38 SER H H 7.536 0.030 1 362 38 38 SER HA H 4.734 0.030 1 363 38 38 SER HB2 H 4.195 0.030 2 364 38 38 SER HB3 H 3.897 0.030 2 365 38 38 SER C C 173.857 0.300 1 366 38 38 SER CA C 58.111 0.300 1 367 38 38 SER CB C 62.228 0.300 1 368 38 38 SER N N 113.159 0.300 1 369 39 39 THR H H 7.025 0.030 1 370 39 39 THR HA H 4.048 0.030 1 371 39 39 THR HB H 4.359 0.030 1 372 39 39 THR HG2 H 1.289 0.030 1 373 39 39 THR C C 172.363 0.300 1 374 39 39 THR CA C 60.614 0.300 1 375 39 39 THR CB C 68.500 0.300 1 376 39 39 THR CG2 C 19.339 0.300 1 377 39 39 THR N N 109.305 0.300 1 378 40 40 SER H H 8.570 0.030 1 379 40 40 SER HA H 3.811 0.030 1 380 40 40 SER HB2 H 3.565 0.030 2 381 40 40 SER HB3 H 4.253 0.030 2 382 40 40 SER C C 172.084 0.300 1 383 40 40 SER CA C 61.408 0.300 1 384 40 40 SER CB C 60.101 0.300 1 385 40 40 SER N N 108.541 0.300 1 386 41 41 LEU H H 8.317 0.030 1 387 41 41 LEU HA H 4.127 0.030 1 388 41 41 LEU HB2 H 1.766 0.030 2 389 41 41 LEU HB3 H 1.633 0.030 2 390 41 41 LEU HD1 H 0.868 0.030 1 391 41 41 LEU HD2 H 0.990 0.030 1 392 41 41 LEU HG H 1.711 0.030 1 393 41 41 LEU CA C 57.159 0.300 1 394 41 41 LEU CB C 35.767 0.300 1 395 41 41 LEU CD1 C 20.536 0.300 2 396 41 41 LEU CD2 C 21.927 0.300 2 397 41 41 LEU CG C 25.011 0.300 1 398 41 41 LEU N N 125.495 0.300 1 399 42 42 PRO HA H 4.394 0.030 1 400 42 42 PRO HB2 H 2.182 0.030 2 401 42 42 PRO HB3 H 1.552 0.030 2 402 42 42 PRO HD2 H 3.648 0.030 2 403 42 42 PRO HD3 H 3.347 0.030 2 404 42 42 PRO HG2 H 1.921 0.030 2 405 42 42 PRO HG3 H 1.636 0.030 2 406 42 42 PRO CA C 63.568 0.300 1 407 42 42 PRO CB C 29.640 0.300 1 408 42 42 PRO CD C 47.872 0.300 1 409 42 42 PRO CG C 26.538 0.300 1 410 43 43 VAL H H 6.431 0.030 1 411 43 43 VAL HA H 3.352 0.030 1 412 43 43 VAL HB H 1.965 0.030 1 413 43 43 VAL HG1 H 0.482 0.030 1 414 43 43 VAL HG2 H 0.526 0.030 1 415 43 43 VAL C C 174.510 0.300 1 416 43 43 VAL CA C 63.223 0.300 1 417 43 43 VAL CB C 29.395 0.300 1 418 43 43 VAL CG1 C 19.344 0.300 2 419 43 43 VAL CG2 C 19.635 0.300 2 420 43 43 VAL N N 110.513 0.300 1 421 44 44 LEU H H 8.149 0.030 1 422 44 44 LEU HA H 3.630 0.030 1 423 44 44 LEU HB2 H 1.784 0.030 2 424 44 44 LEU HB3 H 1.048 0.030 2 425 44 44 LEU HD1 H 0.829 0.030 1 426 44 44 LEU HD2 H 0.604 0.030 1 427 44 44 LEU HG H 1.464 0.030 1 428 44 44 LEU C C 175.134 0.300 1 429 44 44 LEU CA C 56.141 0.300 1 430 44 44 LEU CB C 39.522 0.300 1 431 44 44 LEU CD1 C 23.789 0.300 2 432 44 44 LEU CD2 C 22.755 0.300 2 433 44 44 LEU CG C 25.869 0.300 1 434 44 44 LEU N N 119.795 0.300 1 435 45 45 ASP H H 8.905 0.030 1 436 45 45 ASP HA H 4.267 0.030 1 437 45 45 ASP HB2 H 2.628 0.030 2 438 45 45 ASP HB3 H 2.085 0.030 2 439 45 45 ASP C C 175.274 0.300 1 440 45 45 ASP CA C 54.304 0.300 1 441 45 45 ASP CB C 38.048 0.300 1 442 45 45 ASP N N 116.168 0.300 1 443 46 46 LEU H H 7.128 0.030 1 444 46 46 LEU HA H 3.914 0.030 1 445 46 46 LEU HB2 H 2.163 0.030 2 446 46 46 LEU HB3 H 1.668 0.030 2 447 46 46 LEU HD1 H 0.866 0.030 1 448 46 46 LEU HD2 H 0.753 0.030 1 449 46 46 LEU HG H 1.304 0.030 1 450 46 46 LEU C C 175.688 0.300 1 451 46 46 LEU CA C 55.060 0.300 1 452 46 46 LEU CB C 39.659 0.300 1 453 46 46 LEU CD1 C 21.258 0.300 2 454 46 46 LEU CD2 C 21.073 0.300 2 455 46 46 LEU CG C 26.778 0.300 1 456 46 46 LEU N N 119.925 0.300 1 457 47 47 ILE H H 8.096 0.030 1 458 47 47 ILE HA H 3.286 0.030 1 459 47 47 ILE HB H 1.724 0.030 1 460 47 47 ILE HD1 H 0.602 0.030 1 461 47 47 ILE HG12 H 0.481 0.030 2 462 47 47 ILE HG13 H 1.864 0.030 2 463 47 47 ILE HG2 H 0.682 0.030 1 464 47 47 ILE C C 174.656 0.300 1 465 47 47 ILE CA C 64.261 0.300 1 466 47 47 ILE CB C 35.749 0.300 1 467 47 47 ILE CD1 C 13.307 0.300 1 468 47 47 ILE CG1 C 28.671 0.300 1 469 47 47 ILE CG2 C 14.844 0.300 1 470 47 47 ILE N N 120.457 0.300 1 471 48 48 ASP H H 7.746 0.030 1 472 48 48 ASP HA H 4.357 0.030 1 473 48 48 ASP HB2 H 2.530 0.030 2 474 48 48 ASP HB3 H 2.415 0.030 2 475 48 48 ASP C C 174.952 0.300 1 476 48 48 ASP CA C 54.639 0.300 1 477 48 48 ASP CB C 41.201 0.300 1 478 48 48 ASP N N 116.889 0.300 1 479 49 49 ALA H H 7.983 0.030 1 480 49 49 ALA HA H 3.960 0.030 1 481 49 49 ALA HB H 1.270 0.030 1 482 49 49 ALA C C 177.498 0.300 1 483 49 49 ALA CA C 51.800 0.300 1 484 49 49 ALA CB C 16.740 0.300 1 485 49 49 ALA N N 117.806 0.300 1 486 50 50 ILE H H 7.942 0.030 1 487 50 50 ILE HA H 3.812 0.030 1 488 50 50 ILE HB H 1.830 0.030 1 489 50 50 ILE HD1 H 0.854 0.030 1 490 50 50 ILE HG12 H 1.208 0.030 2 491 50 50 ILE HG13 H 1.778 0.030 2 492 50 50 ILE HG2 H 0.894 0.030 1 493 50 50 ILE C C 174.111 0.300 1 494 50 50 ILE CA C 61.654 0.300 1 495 50 50 ILE CB C 36.561 0.300 1 496 50 50 ILE CD1 C 13.285 0.300 1 497 50 50 ILE CG1 C 25.918 0.300 1 498 50 50 ILE CG2 C 15.094 0.300 1 499 50 50 ILE N N 116.365 0.300 1 500 51 51 GLN H H 8.342 0.030 1 501 51 51 GLN HA H 4.661 0.030 1 502 51 51 GLN HB2 H 2.004 0.030 2 503 51 51 GLN HB3 H 1.684 0.030 2 504 51 51 GLN HE21 H 7.487 0.030 2 505 51 51 GLN HE22 H 6.790 0.030 2 506 51 51 GLN HG2 H 2.114 0.030 1 507 51 51 GLN HG3 H 2.114 0.030 1 508 51 51 GLN C C 168.539 0.300 1 509 51 51 GLN CA C 50.479 0.300 1 510 51 51 GLN CB C 27.255 0.300 1 511 51 51 GLN CG C 32.187 0.300 1 512 51 51 GLN N N 120.643 0.300 1 513 51 51 GLN NE2 N 111.750 0.300 1 514 52 52 PRO HA H 4.838 0.030 1 515 52 52 PRO HB2 H 2.282 0.030 2 516 52 52 PRO HB3 H 1.788 0.030 2 517 52 52 PRO HD2 H 3.495 0.030 2 518 52 52 PRO HD3 H 3.340 0.030 2 519 52 52 PRO HG2 H 1.985 0.030 1 520 52 52 PRO HG3 H 1.985 0.030 1 521 52 52 PRO C C 176.542 0.300 1 522 52 52 PRO CA C 62.288 0.300 1 523 52 52 PRO CB C 29.593 0.300 1 524 52 52 PRO CD C 48.003 0.300 1 525 52 52 PRO CG C 25.029 0.300 1 526 53 53 GLY H H 8.968 0.030 1 527 53 53 GLY HA2 H 4.248 0.030 2 528 53 53 GLY HA3 H 3.932 0.030 2 529 53 53 GLY C C 172.936 0.300 1 530 53 53 GLY CA C 42.882 0.300 1 531 53 53 GLY N N 114.618 0.300 1 532 54 54 SER H H 8.295 0.030 1 533 54 54 SER HA H 3.935 0.030 1 534 54 54 SER HB2 H 3.491 0.030 2 535 54 54 SER HB3 H 3.720 0.030 2 536 54 54 SER C C 172.081 0.300 1 537 54 54 SER CA C 58.337 0.300 1 538 54 54 SER CB C 60.953 0.300 1 539 54 54 SER N N 115.988 0.300 1 540 55 55 ILE H H 7.073 0.030 1 541 55 55 ILE HA H 4.032 0.030 1 542 55 55 ILE HB H 1.572 0.030 1 543 55 55 ILE HD1 H 0.263 0.030 1 544 55 55 ILE HG12 H 1.363 0.030 2 545 55 55 ILE HG13 H 1.414 0.030 2 546 55 55 ILE HG2 H -0.148 0.030 1 547 55 55 ILE C C 172.212 0.300 1 548 55 55 ILE CA C 54.632 0.300 1 549 55 55 ILE CB C 34.442 0.300 1 550 55 55 ILE CD1 C 7.624 0.300 1 551 55 55 ILE CG1 C 23.421 0.300 1 552 55 55 ILE CG2 C 14.103 0.300 1 553 55 55 ILE N N 119.516 0.300 1 554 56 56 ASN H H 7.948 0.030 1 555 56 56 ASN HA H 4.826 0.030 1 556 56 56 ASN HB2 H 3.016 0.030 2 557 56 56 ASN HB3 H 2.593 0.030 2 558 56 56 ASN HD21 H 7.476 0.030 2 559 56 56 ASN HD22 H 7.022 0.030 2 560 56 56 ASN C C 173.501 0.300 1 561 56 56 ASN CA C 48.561 0.300 1 562 56 56 ASN CB C 34.831 0.300 1 563 56 56 ASN N N 123.857 0.300 1 564 56 56 ASN ND2 N 109.300 0.300 1 565 57 57 TYR H H 8.673 0.030 1 566 57 57 TYR HA H 3.806 0.030 1 567 57 57 TYR HB2 H 3.019 0.030 2 568 57 57 TYR HB3 H 2.768 0.030 2 569 57 57 TYR HD1 H 7.056 0.030 1 570 57 57 TYR HD2 H 7.056 0.030 1 571 57 57 TYR HE1 H 6.636 0.030 1 572 57 57 TYR HE2 H 6.636 0.030 1 573 57 57 TYR C C 175.109 0.300 1 574 57 57 TYR CA C 59.942 0.300 1 575 57 57 TYR CB C 35.310 0.300 1 576 57 57 TYR CD1 C 131.203 0.300 1 577 57 57 TYR CD2 C 131.203 0.300 1 578 57 57 TYR CE1 C 115.095 0.300 1 579 57 57 TYR CE2 C 115.095 0.300 1 580 57 57 TYR N N 122.605 0.300 1 581 58 58 ASP H H 8.098 0.030 1 582 58 58 ASP HA H 4.434 0.030 1 583 58 58 ASP HB2 H 2.588 0.030 2 584 58 58 ASP HB3 H 2.681 0.030 2 585 58 58 ASP C C 175.114 0.300 1 586 58 58 ASP CA C 54.208 0.300 1 587 58 58 ASP CB C 37.824 0.300 1 588 58 58 ASP N N 118.131 0.300 1 589 59 59 LEU H H 7.281 0.030 1 590 59 59 LEU HA H 4.122 0.030 1 591 59 59 LEU HB2 H 1.306 0.030 2 592 59 59 LEU HB3 H 1.198 0.030 2 593 59 59 LEU HD1 H 0.647 0.030 1 594 59 59 LEU HD2 H 0.570 0.030 1 595 59 59 LEU HG H 1.262 0.030 1 596 59 59 LEU C C 174.040 0.300 1 597 59 59 LEU CA C 52.097 0.300 1 598 59 59 LEU CB C 39.006 0.300 1 599 59 59 LEU CD1 C 22.728 0.300 2 600 59 59 LEU CD2 C 19.556 0.300 2 601 59 59 LEU CG C 24.183 0.300 1 602 59 59 LEU N N 116.357 0.300 1 603 60 60 LEU H H 7.049 0.030 1 604 60 60 LEU HA H 4.337 0.030 1 605 60 60 LEU HB2 H 1.612 0.030 2 606 60 60 LEU HB3 H 1.287 0.030 2 607 60 60 LEU HD1 H 0.627 0.030 1 608 60 60 LEU HD2 H 0.551 0.030 1 609 60 60 LEU HG H 1.504 0.030 1 610 60 60 LEU C C 173.131 0.300 1 611 60 60 LEU CA C 51.638 0.300 1 612 60 60 LEU CB C 41.493 0.300 1 613 60 60 LEU CD1 C 24.002 0.300 2 614 60 60 LEU CD2 C 23.024 0.300 2 615 60 60 LEU CG C 23.661 0.300 1 616 60 60 LEU N N 117.532 0.300 1 617 61 61 LYS H H 8.252 0.030 1 618 61 61 LYS HA H 4.593 0.030 1 619 61 61 LYS HB2 H 1.727 0.030 2 620 61 61 LYS HB3 H 1.575 0.030 2 621 61 61 LYS HD2 H 1.551 0.030 1 622 61 61 LYS HD3 H 1.551 0.030 1 623 61 61 LYS HE2 H 2.953 0.030 1 624 61 61 LYS HE3 H 2.953 0.030 1 625 61 61 LYS HG2 H 1.388 0.030 1 626 61 61 LYS HG3 H 1.388 0.030 1 627 61 61 LYS C C 174.170 0.300 1 628 61 61 LYS CA C 52.836 0.300 1 629 61 61 LYS CB C 31.754 0.300 1 630 61 61 LYS CD C 26.594 0.300 1 631 61 61 LYS CE C 39.859 0.300 1 632 61 61 LYS CG C 22.685 0.300 1 633 61 61 LYS N N 122.925 0.300 1 634 62 62 THR H H 8.486 0.030 1 635 62 62 THR HA H 4.502 0.030 1 636 62 62 THR HB H 4.292 0.030 1 637 62 62 THR HG2 H 1.090 0.030 1 638 62 62 THR C C 171.935 0.300 1 639 62 62 THR CA C 59.603 0.300 1 640 62 62 THR CB C 67.744 0.300 1 641 62 62 THR CG2 C 19.434 0.300 1 642 62 62 THR N N 110.097 0.300 1 643 63 63 GLU H H 7.555 0.030 1 644 63 63 GLU HA H 4.483 0.030 1 645 63 63 GLU HB2 H 1.775 0.030 2 646 63 63 GLU HB3 H 1.937 0.030 2 647 63 63 GLU HG2 H 2.114 0.030 1 648 63 63 GLU HG3 H 2.114 0.030 1 649 63 63 GLU C C 172.247 0.300 1 650 63 63 GLU CA C 52.686 0.300 1 651 63 63 GLU CB C 30.342 0.300 1 652 63 63 GLU CG C 33.325 0.300 1 653 63 63 GLU N N 119.780 0.300 1 654 64 64 ASN H H 8.891 0.030 1 655 64 64 ASN HA H 4.224 0.030 1 656 64 64 ASN HB2 H 2.841 0.030 2 657 64 64 ASN HB3 H 2.657 0.030 2 658 64 64 ASN HD21 H 7.600 0.030 2 659 64 64 ASN HD22 H 6.831 0.030 2 660 64 64 ASN C C 172.079 0.300 1 661 64 64 ASN CA C 51.440 0.300 1 662 64 64 ASN CB C 34.955 0.300 1 663 64 64 ASN N N 119.141 0.300 1 664 64 64 ASN ND2 N 113.636 0.300 1 665 65 65 LEU H H 8.118 0.030 1 666 65 65 LEU HA H 4.336 0.030 1 667 65 65 LEU HB2 H 1.418 0.030 2 668 65 65 LEU HB3 H 1.550 0.030 2 669 65 65 LEU HD1 H 0.612 0.030 1 670 65 65 LEU HD2 H 0.598 0.030 1 671 65 65 LEU HG H 1.304 0.030 1 672 65 65 LEU C C 175.868 0.300 1 673 65 65 LEU CA C 54.164 0.300 1 674 65 65 LEU CB C 41.286 0.300 1 675 65 65 LEU CD1 C 23.097 0.300 1 676 65 65 LEU CG C 26.676 0.300 1 677 65 65 LEU N N 118.690 0.300 1 678 66 66 ASN H H 8.841 0.030 1 679 66 66 ASN HA H 4.734 0.030 1 680 66 66 ASN HB2 H 3.267 0.030 2 681 66 66 ASN HB3 H 2.828 0.030 2 682 66 66 ASN HD21 H 7.311 0.030 2 683 66 66 ASN HD22 H 6.895 0.030 2 684 66 66 ASN C C 173.605 0.300 1 685 66 66 ASN CA C 48.575 0.300 1 686 66 66 ASN CB C 36.136 0.300 1 687 66 66 ASN N N 121.112 0.300 1 688 66 66 ASN ND2 N 110.886 0.300 1 689 67 67 ASP H H 8.382 0.030 1 690 67 67 ASP HA H 4.166 0.030 1 691 67 67 ASP HB2 H 2.523 0.030 2 692 67 67 ASP HB3 H 2.633 0.030 2 693 67 67 ASP C C 176.409 0.300 1 694 67 67 ASP CA C 56.367 0.300 1 695 67 67 ASP CB C 37.656 0.300 1 696 67 67 ASP N N 117.793 0.300 1 697 68 68 ASP H H 8.026 0.030 1 698 68 68 ASP HA H 4.324 0.030 1 699 68 68 ASP HB2 H 2.544 0.030 2 700 68 68 ASP HB3 H 2.636 0.030 2 701 68 68 ASP C C 176.473 0.300 1 702 68 68 ASP CA C 55.221 0.300 1 703 68 68 ASP CB C 38.092 0.300 1 704 68 68 ASP N N 121.381 0.300 1 705 69 69 GLU H H 8.411 0.030 1 706 69 69 GLU HA H 3.977 0.030 1 707 69 69 GLU HB2 H 2.144 0.030 2 708 69 69 GLU HB3 H 1.789 0.030 2 709 69 69 GLU HG2 H 2.224 0.030 2 710 69 69 GLU HG3 H 2.479 0.030 2 711 69 69 GLU C C 177.750 0.300 1 712 69 69 GLU CA C 56.448 0.300 1 713 69 69 GLU CB C 27.418 0.300 1 714 69 69 GLU CG C 34.334 0.300 1 715 69 69 GLU N N 120.941 0.300 1 716 70 70 LYS H H 8.507 0.030 1 717 70 70 LYS HA H 3.804 0.030 1 718 70 70 LYS HB2 H 1.954 0.030 1 719 70 70 LYS HB3 H 1.954 0.030 1 720 70 70 LYS HD2 H 1.579 0.030 1 721 70 70 LYS HD3 H 1.579 0.030 1 722 70 70 LYS HE2 H 2.720 0.030 2 723 70 70 LYS HE3 H 2.583 0.030 2 724 70 70 LYS HG2 H 1.715 0.030 2 725 70 70 LYS HG3 H 0.990 0.030 2 726 70 70 LYS C C 177.629 0.300 1 727 70 70 LYS CA C 58.682 0.300 1 728 70 70 LYS CB C 30.425 0.300 1 729 70 70 LYS CD C 27.555 0.300 1 730 70 70 LYS CE C 40.139 0.300 1 731 70 70 LYS CG C 26.486 0.300 1 732 70 70 LYS N N 118.637 0.300 1 733 71 71 LEU H H 8.010 0.030 1 734 71 71 LEU HA H 3.908 0.030 1 735 71 71 LEU HB2 H 1.874 0.030 2 736 71 71 LEU HB3 H 1.666 0.030 2 737 71 71 LEU HD1 H 0.865 0.030 1 738 71 71 LEU HD2 H 0.872 0.030 1 739 71 71 LEU HG H 1.525 0.030 1 740 71 71 LEU C C 175.956 0.300 1 741 71 71 LEU CA C 55.961 0.300 1 742 71 71 LEU CB C 38.582 0.300 1 743 71 71 LEU CD1 C 21.129 0.300 2 744 71 71 LEU CD2 C 22.520 0.300 2 745 71 71 LEU CG C 24.864 0.300 1 746 71 71 LEU N N 122.766 0.300 1 747 72 72 ASN H H 8.168 0.030 1 748 72 72 ASN HA H 4.367 0.030 1 749 72 72 ASN HB2 H 2.867 0.030 1 750 72 72 ASN HB3 H 2.867 0.030 1 751 72 72 ASN HD21 H 7.660 0.030 2 752 72 72 ASN HD22 H 6.845 0.030 2 753 72 72 ASN C C 176.439 0.300 1 754 72 72 ASN CA C 54.489 0.300 1 755 72 72 ASN CB C 35.676 0.300 1 756 72 72 ASN N N 118.337 0.300 1 757 72 72 ASN ND2 N 112.831 0.300 1 758 73 73 ASN H H 8.351 0.030 1 759 73 73 ASN HA H 4.250 0.030 1 760 73 73 ASN HB2 H 3.022 0.030 2 761 73 73 ASN HB3 H 2.699 0.030 2 762 73 73 ASN HD21 H 7.366 0.030 2 763 73 73 ASN HD22 H 7.615 0.030 2 764 73 73 ASN C C 174.411 0.300 1 765 73 73 ASN CA C 53.758 0.300 1 766 73 73 ASN CB C 35.218 0.300 1 767 73 73 ASN N N 121.301 0.300 1 768 73 73 ASN ND2 N 105.904 0.300 1 769 74 74 ALA H H 7.782 0.030 1 770 74 74 ALA HA H 4.392 0.030 1 771 74 74 ALA HB H 1.557 0.030 1 772 74 74 ALA C C 177.807 0.300 1 773 74 74 ALA CA C 52.559 0.300 1 774 74 74 ALA CB C 17.693 0.300 1 775 74 74 ALA N N 122.512 0.300 1 776 75 75 LYS H H 8.552 0.030 1 777 75 75 LYS HA H 3.762 0.030 1 778 75 75 LYS HB2 H 1.882 0.030 1 779 75 75 LYS HB3 H 1.882 0.030 1 780 75 75 LYS HD2 H 1.640 0.030 1 781 75 75 LYS HD3 H 1.640 0.030 1 782 75 75 LYS HE2 H 2.772 0.030 2 783 75 75 LYS HE3 H 2.910 0.030 2 784 75 75 LYS HG2 H 1.377 0.030 2 785 75 75 LYS HG3 H 1.632 0.030 2 786 75 75 LYS C C 177.625 0.300 1 787 75 75 LYS CA C 58.052 0.300 1 788 75 75 LYS CB C 30.557 0.300 1 789 75 75 LYS CD C 27.583 0.300 1 790 75 75 LYS CE C 39.777 0.300 1 791 75 75 LYS CG C 24.205 0.300 1 792 75 75 LYS N N 117.952 0.300 1 793 76 76 TYR H H 7.875 0.030 1 794 76 76 TYR HA H 4.417 0.030 1 795 76 76 TYR HB2 H 3.205 0.030 2 796 76 76 TYR HB3 H 2.978 0.030 2 797 76 76 TYR HD1 H 6.914 0.030 1 798 76 76 TYR HD2 H 6.914 0.030 1 799 76 76 TYR HE1 H 6.574 0.030 1 800 76 76 TYR HE2 H 6.574 0.030 1 801 76 76 TYR C C 174.670 0.300 1 802 76 76 TYR CA C 57.543 0.300 1 803 76 76 TYR CB C 35.798 0.300 1 804 76 76 TYR CD1 C 130.101 0.300 1 805 76 76 TYR CD2 C 130.101 0.300 1 806 76 76 TYR CE1 C 115.377 0.300 1 807 76 76 TYR CE2 C 115.377 0.300 1 808 76 76 TYR N N 120.800 0.300 1 809 77 77 ALA H H 8.605 0.030 1 810 77 77 ALA HA H 3.413 0.030 1 811 77 77 ALA HB H 1.236 0.030 1 812 77 77 ALA C C 176.289 0.300 1 813 77 77 ALA CA C 53.584 0.300 1 814 77 77 ALA CB C 15.326 0.300 1 815 77 77 ALA N N 121.308 0.300 1 816 78 78 ILE H H 8.095 0.030 1 817 78 78 ILE HA H 3.303 0.030 1 818 78 78 ILE HB H 1.762 0.030 1 819 78 78 ILE HD1 H 0.397 0.030 1 820 78 78 ILE HG12 H 1.040 0.030 2 821 78 78 ILE HG13 H 1.310 0.030 2 822 78 78 ILE HG2 H 0.734 0.030 1 823 78 78 ILE C C 175.590 0.300 1 824 78 78 ILE CA C 62.169 0.300 1 825 78 78 ILE CB C 34.829 0.300 1 826 78 78 ILE CD1 C 9.059 0.300 1 827 78 78 ILE CG1 C 26.650 0.300 1 828 78 78 ILE CG2 C 14.723 0.300 1 829 78 78 ILE N N 116.079 0.300 1 830 79 79 SER H H 7.842 0.030 1 831 79 79 SER HA H 4.062 0.030 1 832 79 79 SER HB2 H 3.888 0.030 2 833 79 79 SER HB3 H 3.922 0.030 2 834 79 79 SER C C 175.769 0.300 1 835 79 79 SER CA C 59.348 0.300 1 836 79 79 SER CB C 60.608 0.300 1 837 79 79 SER N N 114.048 0.300 1 838 80 80 MET H H 8.560 0.030 1 839 80 80 MET HA H 4.436 0.030 1 840 80 80 MET HB2 H 1.421 0.030 2 841 80 80 MET HB3 H 1.674 0.030 2 842 80 80 MET HE H 1.798 0.030 1 843 80 80 MET C C 175.733 0.300 1 844 80 80 MET CA C 53.246 0.300 1 845 80 80 MET CB C 28.550 0.300 1 846 80 80 MET CE C 14.444 0.300 1 847 80 80 MET N N 120.657 0.300 1 848 81 81 ALA H H 8.319 0.030 1 849 81 81 ALA HA H 3.728 0.030 1 850 81 81 ALA HB H 1.242 0.030 1 851 81 81 ALA C C 176.331 0.300 1 852 81 81 ALA CA C 52.811 0.300 1 853 81 81 ALA CB C 14.517 0.300 1 854 81 81 ALA N N 123.007 0.300 1 855 82 82 ARG H H 7.586 0.030 1 856 82 82 ARG C C 178.572 0.300 1 857 82 82 ARG CA C 56.807 0.300 1 858 82 82 ARG CB C 27.257 0.300 1 859 82 82 ARG CD C 41.302 0.300 1 860 82 82 ARG CG C 26.277 0.300 1 861 83 83 LYS H H 8.092 0.030 1 862 83 83 LYS HA H 3.954 0.030 1 863 83 83 LYS HB2 H 1.921 0.030 2 864 83 83 LYS HB3 H 2.032 0.030 2 865 83 83 LYS HD2 H 1.585 0.030 2 866 83 83 LYS HD3 H 1.648 0.030 2 867 83 83 LYS HE2 H 2.943 0.030 1 868 83 83 LYS HE3 H 2.943 0.030 1 869 83 83 LYS HG2 H 1.316 0.030 2 870 83 83 LYS HG3 H 1.478 0.030 2 871 83 83 LYS C C 176.599 0.300 1 872 83 83 LYS CA C 57.266 0.300 1 873 83 83 LYS CB C 29.972 0.300 1 874 83 83 LYS CD C 26.924 0.300 1 875 83 83 LYS CE C 39.859 0.300 1 876 83 83 LYS CG C 23.078 0.300 1 877 83 83 LYS N N 122.233 0.300 1 878 84 84 ILE H H 7.510 0.030 1 879 84 84 ILE HA H 4.380 0.030 1 880 84 84 ILE HB H 2.103 0.030 1 881 84 84 ILE HD1 H 0.749 0.030 1 882 84 84 ILE HG12 H 1.284 0.030 2 883 84 84 ILE HG13 H 1.463 0.030 2 884 84 84 ILE HG2 H 0.805 0.030 1 885 84 84 ILE C C 173.254 0.300 1 886 84 84 ILE CA C 59.640 0.300 1 887 84 84 ILE CB C 35.930 0.300 1 888 84 84 ILE CD1 C 13.504 0.300 1 889 84 84 ILE CG1 C 24.369 0.300 1 890 84 84 ILE CG2 C 14.907 0.300 1 891 84 84 ILE N N 110.080 0.300 1 892 85 85 GLY H H 7.593 0.030 1 893 85 85 GLY HA2 H 4.257 0.030 2 894 85 85 GLY HA3 H 3.581 0.030 2 895 85 85 GLY C C 171.938 0.300 1 896 85 85 GLY CA C 42.935 0.300 1 897 85 85 GLY N N 106.746 0.300 1 898 86 86 ALA H H 8.142 0.030 1 899 86 86 ALA HA H 4.320 0.030 1 900 86 86 ALA HB H 0.974 0.030 1 901 86 86 ALA CA C 48.418 0.300 1 902 86 86 ALA CB C 16.915 0.300 1 903 88 88 VAL H H 7.699 0.030 1 904 88 88 VAL HA H 3.955 0.030 1 905 88 88 VAL HB H 1.797 0.030 1 906 88 88 VAL HG1 H 0.828 0.030 1 907 88 88 VAL HG2 H 0.725 0.030 1 908 88 88 VAL CA C 58.650 0.300 1 909 88 88 VAL CB C 31.651 0.300 1 910 88 88 VAL CG1 C 20.073 0.300 2 911 88 88 VAL CG2 C 19.107 0.300 2 912 88 88 VAL N N 119.956 0.300 1 913 89 89 TYR HA H 4.479 0.030 1 914 89 89 TYR HB2 H 2.943 0.030 2 915 89 89 TYR HB3 H 2.724 0.030 2 916 89 89 TYR HD1 H 6.972 0.030 1 917 89 89 TYR HD2 H 6.972 0.030 1 918 89 89 TYR HE1 H 6.643 0.030 1 919 89 89 TYR HE2 H 6.643 0.030 1 920 89 89 TYR CA C 55.829 0.300 1 921 89 89 TYR CB C 36.774 0.300 1 922 89 89 TYR CD1 C 131.107 0.300 1 923 89 89 TYR CD2 C 131.107 0.300 1 924 89 89 TYR CE1 C 115.511 0.300 1 925 89 89 TYR CE2 C 115.511 0.300 1 926 90 90 ALA H H 6.398 0.030 1 927 90 90 ALA HA H 4.097 0.030 1 928 90 90 ALA HB H 0.958 0.030 1 929 90 90 ALA C C 172.069 0.300 1 930 90 90 ALA CA C 49.369 0.300 1 931 90 90 ALA CB C 17.486 0.300 1 932 90 90 ALA N N 121.780 0.300 1 933 91 91 LEU H H 8.923 0.030 1 934 91 91 LEU HA H 4.592 0.030 1 935 91 91 LEU HB2 H 1.712 0.030 2 936 91 91 LEU HB3 H 1.375 0.030 2 937 91 91 LEU HD1 H 0.852 0.030 1 938 91 91 LEU HD2 H 0.867 0.030 1 939 91 91 LEU HG H 1.714 0.030 1 940 91 91 LEU CA C 49.868 0.300 1 941 91 91 LEU CB C 38.478 0.300 1 942 91 91 LEU CD1 C 20.023 0.300 2 943 91 91 LEU CD2 C 22.846 0.300 2 944 91 91 LEU CG C 24.840 0.300 1 945 91 91 LEU N N 120.023 0.300 1 946 92 92 PRO HA H 3.901 0.030 1 947 92 92 PRO HB2 H 1.981 0.030 2 948 92 92 PRO HB3 H 1.828 0.030 2 949 92 92 PRO HD2 H 3.693 0.030 2 950 92 92 PRO HD3 H 3.809 0.030 2 951 92 92 PRO HG2 H 1.816 0.030 2 952 92 92 PRO HG3 H 2.241 0.030 2 953 92 92 PRO C C 176.063 0.300 1 954 92 92 PRO CA C 63.980 0.300 1 955 92 92 PRO CB C 29.409 0.300 1 956 92 92 PRO CD C 47.131 0.300 1 957 92 92 PRO CG C 26.517 0.300 1 958 93 93 GLU H H 9.833 0.030 1 959 93 93 GLU HA H 3.674 0.030 1 960 93 93 GLU HB2 H 1.819 0.030 2 961 93 93 GLU HB3 H 1.870 0.030 2 962 93 93 GLU HG2 H 2.109 0.030 2 963 93 93 GLU HG3 H 2.333 0.030 2 964 93 93 GLU C C 175.207 0.300 1 965 93 93 GLU CA C 58.479 0.300 1 966 93 93 GLU CB C 26.429 0.300 1 967 93 93 GLU CG C 35.120 0.300 1 968 93 93 GLU N N 115.900 0.300 1 969 94 94 ASP H H 7.638 0.030 1 970 94 94 ASP HA H 4.354 0.030 1 971 94 94 ASP HB2 H 2.984 0.030 2 972 94 94 ASP HB3 H 2.249 0.030 2 973 94 94 ASP C C 175.669 0.300 1 974 94 94 ASP CA C 55.606 0.300 1 975 94 94 ASP CB C 39.249 0.300 1 976 94 94 ASP N N 116.797 0.300 1 977 95 95 LEU H H 6.925 0.030 1 978 95 95 LEU HA H 3.934 0.030 1 979 95 95 LEU HB2 H 1.944 0.030 2 980 95 95 LEU HB3 H 1.491 0.030 2 981 95 95 LEU HD1 H 0.618 0.030 1 982 95 95 LEU HD2 H 0.805 0.030 1 983 95 95 LEU HG H 1.437 0.030 1 984 95 95 LEU C C 175.231 0.300 1 985 95 95 LEU CA C 55.168 0.300 1 986 95 95 LEU CB C 38.126 0.300 1 987 95 95 LEU CD1 C 21.123 0.300 2 988 95 95 LEU CD2 C 22.960 0.300 2 989 95 95 LEU CG C 25.628 0.300 1 990 95 95 LEU N N 116.162 0.300 1 991 96 96 VAL H H 7.172 0.030 1 992 96 96 VAL HA H 3.755 0.030 1 993 96 96 VAL HB H 1.878 0.030 1 994 96 96 VAL HG1 H 0.871 0.030 1 995 96 96 VAL HG2 H 0.846 0.030 1 996 96 96 VAL C C 175.692 0.300 1 997 96 96 VAL CA C 64.050 0.300 1 998 96 96 VAL CB C 29.945 0.300 1 999 96 96 VAL CG1 C 19.530 0.300 2 1000 96 96 VAL CG2 C 20.630 0.300 2 1001 96 96 VAL N N 115.663 0.300 1 1002 97 97 GLU H H 8.006 0.030 1 1003 97 97 GLU HA H 4.022 0.030 1 1004 97 97 GLU HB2 H 2.028 0.030 2 1005 97 97 GLU HB3 H 1.843 0.030 2 1006 97 97 GLU HG2 H 2.207 0.030 2 1007 97 97 GLU HG3 H 2.297 0.030 2 1008 97 97 GLU C C 173.470 0.300 1 1009 97 97 GLU CA C 53.631 0.300 1 1010 97 97 GLU CB C 26.871 0.300 1 1011 97 97 GLU CG C 34.141 0.300 1 1012 97 97 GLU N N 113.312 0.300 1 1013 98 98 VAL H H 7.293 0.030 1 1014 98 98 VAL HA H 2.940 0.030 1 1015 98 98 VAL HB H 2.408 0.030 1 1016 98 98 VAL HG1 H 0.842 0.030 1 1017 98 98 VAL HG2 H 0.762 0.030 1 1018 98 98 VAL C C 171.034 0.300 1 1019 98 98 VAL CA C 61.159 0.300 1 1020 98 98 VAL CB C 26.729 0.300 1 1021 98 98 VAL CG1 C 22.240 0.300 2 1022 98 98 VAL CG2 C 19.778 0.300 2 1023 98 98 VAL N N 120.028 0.300 1 1024 99 99 ASN H H 8.199 0.030 1 1025 99 99 ASN HA H 4.969 0.030 1 1026 99 99 ASN HB2 H 2.874 0.030 1 1027 99 99 ASN HB3 H 2.874 0.030 1 1028 99 99 ASN HD21 H 7.065 0.030 2 1029 99 99 ASN HD22 H 8.006 0.030 2 1030 99 99 ASN C C 172.521 0.300 1 1031 99 99 ASN CA C 48.217 0.300 1 1032 99 99 ASN CB C 35.873 0.300 1 1033 99 99 ASN N N 121.200 0.300 1 1034 99 99 ASN ND2 N 113.518 0.300 1 1035 100 100 PRO HA H 4.225 0.030 1 1036 100 100 PRO HB2 H 1.950 0.030 1 1037 100 100 PRO HB3 H 1.950 0.030 1 1038 100 100 PRO HD2 H 3.811 0.030 1 1039 100 100 PRO HD3 H 3.811 0.030 1 1040 100 100 PRO HG2 H 2.095 0.030 2 1041 100 100 PRO HG3 H 1.942 0.030 2 1042 100 100 PRO C C 176.807 0.300 1 1043 100 100 PRO CA C 63.885 0.300 1 1044 100 100 PRO CB C 30.228 0.300 1 1045 100 100 PRO CD C 49.131 0.300 1 1046 100 100 PRO CG C 26.015 0.300 1 1047 101 101 LYS H H 7.833 0.030 1 1048 101 101 LYS HA H 4.222 0.030 1 1049 101 101 LYS HB2 H 2.080 0.030 2 1050 101 101 LYS HB3 H 1.944 0.030 2 1051 101 101 LYS HD2 H 1.670 0.030 2 1052 101 101 LYS HD3 H 1.794 0.030 2 1053 101 101 LYS HG2 H 1.416 0.030 1 1054 101 101 LYS HG3 H 1.416 0.030 1 1055 101 101 LYS C C 176.575 0.300 1 1056 101 101 LYS CA C 56.805 0.300 1 1057 101 101 LYS CB C 30.100 0.300 1 1058 101 101 LYS CD C 26.480 0.300 1 1059 101 101 LYS CE C 39.918 0.300 1 1060 101 101 LYS CG C 22.803 0.300 1 1061 101 101 LYS N N 116.053 0.300 1 1062 102 102 MET H H 7.006 0.030 1 1063 102 102 MET HA H 4.674 0.030 1 1064 102 102 MET HB2 H 1.712 0.030 2 1065 102 102 MET HB3 H 2.327 0.030 2 1066 102 102 MET HE H 1.977 0.030 1 1067 102 102 MET HG2 H 2.742 0.030 2 1068 102 102 MET HG3 H 2.327 0.030 2 1069 102 102 MET CA C 52.715 0.300 1 1070 102 102 MET CB C 29.439 0.300 1 1071 102 102 MET CE C 14.746 0.300 1 1072 102 102 MET CG C 29.646 0.300 1 1073 102 102 MET N N 114.587 0.300 1 1074 103 103 VAL H H 8.942 0.030 1 1075 103 103 VAL HA H 3.146 0.030 1 1076 103 103 VAL HB H 2.200 0.030 1 1077 103 103 VAL HG1 H 1.211 0.030 1 1078 103 103 VAL HG2 H 1.004 0.030 1 1079 103 103 VAL CA C 65.103 0.300 1 1080 103 103 VAL CB C 29.624 0.300 1 1081 103 103 VAL CG1 C 21.245 0.300 2 1082 103 103 VAL CG2 C 21.929 0.300 2 1083 103 103 VAL N N 122.854 0.300 1 1084 104 104 MET H H 7.814 0.030 1 1085 104 104 MET HA H 2.587 0.030 1 1086 104 104 MET HB2 H 1.438 0.030 2 1087 104 104 MET HB3 H 1.914 0.030 2 1088 104 104 MET HE H 1.902 0.030 1 1089 104 104 MET HG2 H 2.365 0.030 1 1090 104 104 MET HG3 H 2.365 0.030 1 1091 104 104 MET C C 175.083 0.300 1 1092 104 104 MET CA C 57.432 0.300 1 1093 104 104 MET CB C 28.379 0.300 1 1094 104 104 MET CE C 13.796 0.300 1 1095 104 104 MET CG C 28.888 0.300 1 1096 104 104 MET N N 118.494 0.300 1 1097 105 105 THR H H 7.008 0.030 1 1098 105 105 THR HA H 3.886 0.030 1 1099 105 105 THR HB H 4.088 0.030 1 1100 105 105 THR HG2 H 1.335 0.030 1 1101 105 105 THR C C 174.625 0.300 1 1102 105 105 THR CA C 63.217 0.300 1 1103 105 105 THR CB C 66.628 0.300 1 1104 105 105 THR CG2 C 19.509 0.300 1 1105 105 105 THR N N 108.884 0.300 1 1106 106 106 VAL H H 7.420 0.030 1 1107 106 106 VAL HA H 3.402 0.030 1 1108 106 106 VAL HB H 1.920 0.030 1 1109 106 106 VAL HG1 H 0.302 0.030 1 1110 106 106 VAL HG2 H 0.692 0.030 1 1111 106 106 VAL C C 175.163 0.300 1 1112 106 106 VAL CA C 64.044 0.300 1 1113 106 106 VAL CB C 28.721 0.300 1 1114 106 106 VAL CG1 C 18.069 0.300 2 1115 106 106 VAL CG2 C 20.682 0.300 2 1116 106 106 VAL N N 124.103 0.300 1 1117 107 107 PHE H H 7.458 0.030 1 1118 107 107 PHE HA H 4.118 0.030 1 1119 107 107 PHE HB2 H 2.918 0.030 2 1120 107 107 PHE HB3 H 2.734 0.030 2 1121 107 107 PHE HD1 H 7.242 0.030 1 1122 107 107 PHE HD2 H 7.242 0.030 1 1123 107 107 PHE HE1 H 7.028 0.030 1 1124 107 107 PHE HE2 H 7.028 0.030 1 1125 107 107 PHE HZ H 6.853 0.030 1 1126 107 107 PHE C C 175.159 0.300 1 1127 107 107 PHE CA C 60.927 0.300 1 1128 107 107 PHE CB C 36.753 0.300 1 1129 107 107 PHE CD1 C 130.305 0.300 1 1130 107 107 PHE CD2 C 130.305 0.300 1 1131 107 107 PHE CE1 C 127.810 0.300 1 1132 107 107 PHE CE2 C 127.810 0.300 1 1133 107 107 PHE CZ C 127.113 0.300 1 1134 107 107 PHE N N 115.931 0.300 1 1135 108 108 ALA H H 9.175 0.030 1 1136 108 108 ALA HA H 3.830 0.030 1 1137 108 108 ALA HB H 1.362 0.030 1 1138 108 108 ALA CA C 53.229 0.300 1 1139 108 108 ALA CB C 16.052 0.300 1 1140 108 108 ALA N N 120.673 0.300 1 1141 109 109 CYS H H 7.998 0.030 1 1142 109 109 CYS HA H 4.172 0.030 1 1143 109 109 CYS HB2 H 3.016 0.030 2 1144 109 109 CYS HB3 H 2.752 0.030 2 1145 109 109 CYS CA C 59.887 0.300 1 1146 109 109 CYS CB C 24.419 0.300 1 1147 109 109 CYS N N 117.367 0.300 1 1148 110 110 LEU H H 7.674 0.030 1 1149 110 110 LEU HA H 3.889 0.030 1 1150 110 110 LEU HB2 H 1.302 0.030 2 1151 110 110 LEU HB3 H 2.030 0.030 2 1152 110 110 LEU HD1 H 0.627 0.030 1 1153 110 110 LEU HD2 H 0.623 0.030 1 1154 110 110 LEU HG H 1.658 0.030 1 1155 110 110 LEU C C 175.099 0.300 1 1156 110 110 LEU CA C 55.548 0.300 1 1157 110 110 LEU CB C 38.883 0.300 1 1158 110 110 LEU CD1 C 21.239 0.300 2 1159 110 110 LEU CD2 C 24.239 0.300 2 1160 110 110 LEU CG C 24.699 0.300 1 1161 110 110 LEU N N 121.192 0.300 1 1162 111 111 MET H H 8.215 0.030 1 1163 111 111 MET HA H 2.773 0.030 1 1164 111 111 MET HB2 H 1.713 0.030 2 1165 111 111 MET HB3 H 1.419 0.030 2 1166 111 111 MET HE H 1.635 0.030 1 1167 111 111 MET HG2 H 0.334 0.030 2 1168 111 111 MET HG3 H 1.268 0.030 2 1169 111 111 MET C C 175.186 0.300 1 1170 111 111 MET CA C 56.299 0.300 1 1171 111 111 MET CB C 29.519 0.300 1 1172 111 111 MET CE C 15.284 0.300 1 1173 111 111 MET CG C 29.699 0.300 1 1174 111 111 MET N N 120.358 0.300 1 1175 112 112 GLY H H 7.656 0.030 1 1176 112 112 GLY HA2 H 3.578 0.030 2 1177 112 112 GLY HA3 H 3.654 0.030 2 1178 112 112 GLY C C 175.191 0.300 1 1179 112 112 GLY CA C 44.445 0.300 1 1180 112 112 GLY N N 104.173 0.300 1 1181 113 113 LYS H H 8.040 0.030 1 1182 113 113 LYS N N 118.300 0.300 1 1183 114 114 GLY H H 8.452 0.030 1 1184 114 114 GLY HA2 H 4.093 0.030 2 1185 114 114 GLY HA3 H 3.790 0.030 2 1186 114 114 GLY CA C 43.901 0.300 1 1187 114 114 GLY N N 106.583 0.300 1 1188 115 115 MET H H 8.068 0.030 1 1189 115 115 MET N N 119.737 0.300 1 1190 116 116 LYS H H 8.363 0.030 1 1191 116 116 LYS HA H 4.252 0.030 1 1192 116 116 LYS HB2 H 1.776 0.030 2 1193 116 116 LYS HE2 H 2.909 0.030 2 1194 116 116 LYS C C 174.068 0.300 1 1195 116 116 LYS CA C 54.022 0.300 1 1196 116 116 LYS CB C 30.384 0.300 1 1197 116 116 LYS CD C 26.759 0.300 1 1198 116 116 LYS CE C 39.859 0.300 1 1199 116 116 LYS CG C 22.557 0.300 1 1200 116 116 LYS N N 124.173 0.300 1 1201 117 117 ARG H H 8.210 0.030 1 1202 117 117 ARG HA H 4.332 0.030 1 1203 117 117 ARG HB2 H 1.734 0.030 2 1204 117 117 ARG HB3 H 1.803 0.030 2 1205 117 117 ARG HD2 H 3.142 0.030 1 1206 117 117 ARG HD3 H 3.142 0.030 1 1207 117 117 ARG HG2 H 1.582 0.030 2 1208 117 117 ARG HG3 H 1.545 0.030 2 1209 117 117 ARG C C 174.012 0.300 1 1210 117 117 ARG CA C 53.740 0.300 1 1211 117 117 ARG CB C 28.561 0.300 1 1212 117 117 ARG CD C 41.018 0.300 1 1213 117 117 ARG CG C 24.835 0.300 1 1214 117 117 ARG N N 122.110 0.300 1 1215 118 118 VAL H H 8.177 0.030 1 1216 118 118 VAL HA H 4.136 0.030 1 1217 118 118 VAL HB H 2.041 0.030 1 1218 118 118 VAL HG1 H 0.872 0.030 1 1219 118 118 VAL HG2 H 0.875 0.030 1 1220 118 118 VAL C C 173.804 0.300 1 1221 118 118 VAL CA C 59.804 0.300 1 1222 118 118 VAL CB C 30.609 0.300 1 1223 118 118 VAL CG1 C 18.895 0.300 2 1224 118 118 VAL CG2 C 18.047 0.300 2 1225 118 118 VAL N N 120.926 0.300 1 1226 119 119 SER H H 8.333 0.030 1 1227 119 119 SER HA H 4.403 0.030 1 1228 119 119 SER HB2 H 3.804 0.030 1 1229 119 119 SER HB3 H 3.804 0.030 1 1230 119 119 SER C C 172.093 0.300 1 1231 119 119 SER CA C 55.873 0.300 1 1232 119 119 SER CB C 61.518 0.300 1 1233 119 119 SER N N 119.283 0.300 1 1234 120 120 GLY H H 8.195 0.030 1 1235 120 120 GLY HA2 H 4.024 0.030 2 1236 120 120 GLY HA3 H 4.089 0.030 2 1237 120 120 GLY C C 169.364 0.300 1 1238 120 120 GLY CA C 42.335 0.300 1 1239 120 120 GLY N N 110.510 0.300 1 1240 121 121 PRO HA H 4.398 0.030 1 1241 121 121 PRO HB2 H 2.215 0.030 2 1242 121 121 PRO HB3 H 1.899 0.030 2 1243 121 121 PRO HD2 H 3.548 0.030 1 1244 121 121 PRO HD3 H 3.548 0.030 1 1245 121 121 PRO HG2 H 1.937 0.030 1 1246 121 121 PRO HG3 H 1.937 0.030 1 1247 121 121 PRO C C 175.051 0.300 1 1248 121 121 PRO CA C 60.936 0.300 1 1249 121 121 PRO CB C 29.847 0.300 1 1250 121 121 PRO CD C 47.453 0.300 1 1251 121 121 PRO CG C 24.802 0.300 1 1252 122 122 SER H H 8.463 0.030 1 1253 122 122 SER HA H 4.403 0.030 1 1254 122 122 SER HB2 H 3.816 0.030 2 1255 122 122 SER C C 172.337 0.300 1 1256 122 122 SER CA C 55.996 0.300 1 1257 122 122 SER CB C 61.665 0.300 1 1258 122 122 SER N N 116.042 0.300 1 1259 123 123 SER H H 8.242 0.030 1 1260 123 123 SER HA H 4.408 0.030 1 1261 123 123 SER HB2 H 3.778 0.030 1 1262 123 123 SER HB3 H 3.778 0.030 1 1263 123 123 SER C C 171.586 0.300 1 1264 123 123 SER CA C 56.029 0.300 1 1265 123 123 SER CB C 61.569 0.300 1 1266 123 123 SER N N 117.460 0.300 1 1267 124 124 GLY H H 7.974 0.030 1 1268 124 124 GLY HA2 H 3.715 0.030 2 1269 124 124 GLY HA3 H 3.670 0.030 2 1270 124 124 GLY C C 176.648 0.300 1 1271 124 124 GLY CA C 43.873 0.300 1 1272 124 124 GLY N N 116.499 0.300 1 stop_ save_