data_10030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the forth CH domain from human plastin 3 T-isoform ; _BMRB_accession_number 10030 _BMRB_flat_file_name bmr10030.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _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" 677 "13C chemical shifts" 520 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-12 original author . stop_ _Original_release_date 2008-08-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the forth CH domain from human plastin 3 T-isoform' _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 T-plastin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label T-plastin $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _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 ; GSSGSSGNDDIIVNWVNRTL SEAGKSTSIQSFKDKTISSS LAVVDLIDAIQPGCINYDLV KSGNLTEDDKHNNAKYAVSM ARRIGARVYALPEDLVEVKP KMVMTVFACLMGRGMKRVSG 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 ARG 19 THR 20 LEU 21 SER 22 GLU 23 ALA 24 GLY 25 LYS 26 SER 27 THR 28 SER 29 ILE 30 GLN 31 SER 32 PHE 33 LYS 34 ASP 35 LYS 36 THR 37 ILE 38 SER 39 SER 40 SER 41 LEU 42 ALA 43 VAL 44 VAL 45 ASP 46 LEU 47 ILE 48 ASP 49 ALA 50 ILE 51 GLN 52 PRO 53 GLY 54 CYS 55 ILE 56 ASN 57 TYR 58 ASP 59 LEU 60 VAL 61 LYS 62 SER 63 GLY 64 ASN 65 LEU 66 THR 67 GLU 68 ASP 69 ASP 70 LYS 71 HIS 72 ASN 73 ASN 74 ALA 75 LYS 76 TYR 77 ALA 78 VAL 79 SER 80 MET 81 ALA 82 ARG 83 ARG 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 LYS 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 ARG 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 2015-07-08 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 1WJO "Solution Structure Of The Forth Ch Domain From Human Plastin 3 T-Isoform" 100.00 124 100.00 100.00 7.59e-84 DBJ BAD96521 "plastin 3 variant [Homo sapiens]" 92.74 630 97.39 97.39 1.61e-69 DBJ BAF83883 "unnamed protein product [Homo sapiens]" 92.74 630 97.39 97.39 1.42e-69 DBJ BAG35308 "unnamed protein product [Homo sapiens]" 92.74 630 97.39 97.39 1.42e-69 DBJ BAG57642 "unnamed protein product [Homo sapiens]" 92.74 306 97.39 97.39 9.73e-73 DBJ BAG57725 "unnamed protein product [Homo sapiens]" 92.74 617 97.39 97.39 1.42e-69 GB AAB02844 "T-plastin polypeptide [Homo sapiens]" 92.74 570 97.39 97.39 5.52e-70 GB AAH08588 "Similar to plastin 3 (T isoform), partial [Homo sapiens]" 92.74 409 97.39 97.39 1.69e-71 GB AAH39049 "Plastin 3 (T isoform) [Homo sapiens]" 92.74 630 97.39 97.39 1.42e-69 GB AAH56898 "Plastin 3 (T isoform) [Homo sapiens]" 92.74 630 97.39 97.39 1.42e-69 GB AAI50495 "PLS3 protein, partial [Homo sapiens]" 92.74 150 97.39 97.39 3.90e-75 REF NP_001129497 "plastin-3 isoform 1 [Homo sapiens]" 92.74 630 97.39 97.39 1.42e-69 REF NP_001165806 "plastin-3 isoform 2 [Homo sapiens]" 92.74 603 97.39 97.39 2.34e-69 REF NP_001253150 "plastin-3 [Macaca mulatta]" 92.74 630 97.39 97.39 1.42e-69 REF NP_001269266 "plastin-3 isoform 3 [Homo sapiens]" 92.74 617 97.39 97.39 1.42e-69 REF NP_001269267 "plastin-3 isoform 4 [Homo sapiens]" 92.74 585 97.39 97.39 7.80e-70 SP P13797 "RecName: Full=Plastin-3; AltName: Full=T-plastin" 92.74 630 97.39 97.39 1.42e-69 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 P040223-07 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 1.16 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 2.6 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 0.901 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 refinement '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_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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 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_ _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 T-plastin _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 4 4 GLY C C 174.312 0.300 1 2 4 4 GLY CA C 45.397 0.300 1 3 5 5 SER H H 8.299 0.030 1 4 5 5 SER HA H 4.540 0.030 1 5 5 5 SER HB2 H 3.908 0.030 1 6 5 5 SER HB3 H 3.908 0.030 1 7 5 5 SER C C 174.845 0.300 1 8 5 5 SER CA C 58.129 0.300 1 9 5 5 SER CB C 63.943 0.300 1 10 5 5 SER N N 115.909 0.300 1 11 6 6 SER H H 8.545 0.030 1 12 6 6 SER HA H 4.538 0.030 1 13 6 6 SER HB2 H 3.908 0.030 2 14 6 6 SER HB3 H 3.948 0.030 2 15 6 6 SER C C 175.043 0.300 1 16 6 6 SER CA C 58.627 0.300 1 17 6 6 SER CB C 63.899 0.300 1 18 6 6 SER N N 118.123 0.300 1 19 7 7 GLY H H 8.507 0.030 1 20 7 7 GLY HA2 H 4.026 0.030 1 21 7 7 GLY HA3 H 4.026 0.030 1 22 7 7 GLY C C 174.461 0.300 1 23 7 7 GLY CA C 45.745 0.300 1 24 7 7 GLY N N 110.684 0.300 1 25 8 8 ASN H H 8.374 0.030 1 26 8 8 ASN HA H 4.737 0.030 1 27 8 8 ASN HB2 H 2.813 0.030 2 28 8 8 ASN HB3 H 2.894 0.030 2 29 8 8 ASN HD21 H 7.664 0.030 2 30 8 8 ASN HD22 H 6.911 0.030 2 31 8 8 ASN C C 176.219 0.300 1 32 8 8 ASN CA C 54.197 0.300 1 33 8 8 ASN CB C 38.976 0.300 1 34 8 8 ASN N N 119.199 0.300 1 35 8 8 ASN ND2 N 112.687 0.300 1 36 9 9 ASP H H 8.563 0.030 1 37 9 9 ASP HA H 4.447 0.030 1 38 9 9 ASP HB2 H 2.737 0.030 2 39 9 9 ASP HB3 H 2.665 0.030 2 40 9 9 ASP C C 177.134 0.300 1 41 9 9 ASP CA C 57.256 0.300 1 42 9 9 ASP CB C 40.406 0.300 1 43 9 9 ASP N N 120.723 0.300 1 44 10 10 ASP H H 8.126 0.030 1 45 10 10 ASP HA H 4.237 0.030 1 46 10 10 ASP HB2 H 2.626 0.030 1 47 10 10 ASP HB3 H 2.626 0.030 1 48 10 10 ASP C C 177.738 0.300 1 49 10 10 ASP CA C 56.921 0.300 1 50 10 10 ASP CB C 40.578 0.300 1 51 10 10 ASP N N 118.418 0.300 1 52 11 11 ILE H H 7.675 0.030 1 53 11 11 ILE HA H 3.831 0.030 1 54 11 11 ILE HB H 2.030 0.030 1 55 11 11 ILE HG12 H 1.281 0.030 2 56 11 11 ILE HG13 H 1.683 0.030 2 57 11 11 ILE HG2 H 0.949 0.030 1 58 11 11 ILE HD1 H 0.917 0.030 1 59 11 11 ILE C C 178.953 0.300 1 60 11 11 ILE CA C 64.570 0.300 1 61 11 11 ILE CB C 38.076 0.300 1 62 11 11 ILE CG1 C 28.703 0.300 1 63 11 11 ILE CG2 C 17.343 0.300 1 64 11 11 ILE CD1 C 12.921 0.300 1 65 11 11 ILE N N 119.512 0.300 1 66 12 12 ILE H H 7.667 0.030 1 67 12 12 ILE HA H 4.211 0.030 1 68 12 12 ILE HB H 2.232 0.030 1 69 12 12 ILE HG12 H 1.115 0.030 2 70 12 12 ILE HG13 H 1.923 0.030 2 71 12 12 ILE HG2 H 1.122 0.030 1 72 12 12 ILE HD1 H 1.002 0.030 1 73 12 12 ILE C C 177.850 0.300 1 74 12 12 ILE CA C 64.953 0.300 1 75 12 12 ILE CB C 38.911 0.300 1 76 12 12 ILE CG1 C 28.579 0.300 1 77 12 12 ILE CG2 C 18.484 0.300 1 78 12 12 ILE CD1 C 14.575 0.300 1 79 12 12 ILE N N 120.305 0.300 1 80 13 13 VAL H H 8.243 0.030 1 81 13 13 VAL HA H 2.997 0.030 1 82 13 13 VAL HB H 1.820 0.030 1 83 13 13 VAL HG1 H 0.531 0.030 1 84 13 13 VAL HG2 H 0.187 0.030 1 85 13 13 VAL C C 177.138 0.300 1 86 13 13 VAL CA C 67.605 0.300 1 87 13 13 VAL CB C 31.869 0.300 1 88 13 13 VAL CG1 C 21.171 0.300 2 89 13 13 VAL CG2 C 22.635 0.300 2 90 13 13 VAL N N 120.402 0.300 1 91 14 14 ASN H H 8.313 0.030 1 92 14 14 ASN HA H 4.425 0.030 1 93 14 14 ASN HB2 H 2.913 0.030 2 94 14 14 ASN HB3 H 2.758 0.030 2 95 14 14 ASN HD21 H 7.583 0.030 2 96 14 14 ASN HD22 H 6.998 0.030 2 97 14 14 ASN C C 177.965 0.300 1 98 14 14 ASN CA C 56.257 0.300 1 99 14 14 ASN CB C 38.035 0.300 1 100 14 14 ASN N N 114.493 0.300 1 101 14 14 ASN ND2 N 112.459 0.300 1 102 15 15 TRP H H 8.013 0.030 1 103 15 15 TRP HA H 4.063 0.030 1 104 15 15 TRP HB2 H 3.385 0.030 2 105 15 15 TRP HB3 H 3.802 0.030 2 106 15 15 TRP HD1 H 7.335 0.030 1 107 15 15 TRP HE1 H 10.144 0.030 1 108 15 15 TRP HE3 H 7.507 0.030 1 109 15 15 TRP HZ2 H 7.298 0.030 1 110 15 15 TRP HZ3 H 6.926 0.030 1 111 15 15 TRP HH2 H 6.919 0.030 1 112 15 15 TRP C C 179.455 0.300 1 113 15 15 TRP CA C 63.013 0.300 1 114 15 15 TRP CB C 28.671 0.300 1 115 15 15 TRP CD1 C 127.231 0.300 1 116 15 15 TRP CE3 C 120.531 0.300 1 117 15 15 TRP CZ2 C 114.801 0.300 1 118 15 15 TRP CZ3 C 120.667 0.300 1 119 15 15 TRP CH2 C 123.522 0.300 1 120 15 15 TRP N N 122.176 0.300 1 121 15 15 TRP NE1 N 130.753 0.300 1 122 16 16 VAL H H 9.199 0.030 1 123 16 16 VAL HA H 3.029 0.030 1 124 16 16 VAL HB H 2.201 0.030 1 125 16 16 VAL HG1 H 0.714 0.030 1 126 16 16 VAL HG2 H 1.283 0.030 1 127 16 16 VAL C C 177.039 0.300 1 128 16 16 VAL CA C 67.051 0.300 1 129 16 16 VAL CB C 31.890 0.300 1 130 16 16 VAL CG1 C 20.734 0.300 2 131 16 16 VAL CG2 C 23.885 0.300 2 132 16 16 VAL N N 123.811 0.300 1 133 17 17 ASN H H 8.120 0.030 1 134 17 17 ASN HA H 4.494 0.030 1 135 17 17 ASN HB2 H 2.678 0.030 1 136 17 17 ASN HB3 H 2.678 0.030 1 137 17 17 ASN HD21 H 7.266 0.030 2 138 17 17 ASN HD22 H 7.844 0.030 2 139 17 17 ASN C C 179.333 0.300 1 140 17 17 ASN CA C 55.868 0.300 1 141 17 17 ASN CB C 37.274 0.300 1 142 17 17 ASN N N 116.193 0.300 1 143 17 17 ASN ND2 N 110.585 0.300 1 144 18 18 ARG H H 8.241 0.030 1 145 18 18 ARG HA H 4.026 0.030 1 146 18 18 ARG HB2 H 1.821 0.030 2 147 18 18 ARG HB3 H 1.691 0.030 2 148 18 18 ARG HG2 H 1.474 0.030 2 149 18 18 ARG HG3 H 1.585 0.030 2 150 18 18 ARG HD2 H 3.146 0.030 1 151 18 18 ARG HD3 H 3.146 0.030 1 152 18 18 ARG C C 177.502 0.300 1 153 18 18 ARG CA C 59.299 0.300 1 154 18 18 ARG CB C 29.765 0.300 1 155 18 18 ARG CG C 27.103 0.300 1 156 18 18 ARG CD C 43.405 0.300 1 157 18 18 ARG N N 122.491 0.300 1 158 19 19 THR H H 7.933 0.030 1 159 19 19 THR HA H 3.442 0.030 1 160 19 19 THR HB H 3.296 0.030 1 161 19 19 THR HG2 H 0.713 0.030 1 162 19 19 THR C C 177.191 0.300 1 163 19 19 THR CA C 66.975 0.300 1 164 19 19 THR CB C 67.609 0.300 1 165 19 19 THR CG2 C 20.811 0.300 1 166 19 19 THR N N 118.506 0.300 1 167 20 20 LEU H H 8.149 0.030 1 168 20 20 LEU HA H 3.630 0.030 1 169 20 20 LEU HB2 H 1.848 0.030 2 170 20 20 LEU HB3 H 1.238 0.030 2 171 20 20 LEU HG H 1.733 0.030 1 172 20 20 LEU HD1 H 0.715 0.030 1 173 20 20 LEU HD2 H 0.730 0.030 1 174 20 20 LEU C C 178.294 0.300 1 175 20 20 LEU CA C 58.450 0.300 1 176 20 20 LEU CB C 42.164 0.300 1 177 20 20 LEU CG C 27.022 0.300 1 178 20 20 LEU CD1 C 25.170 0.300 2 179 20 20 LEU CD2 C 22.677 0.300 2 180 20 20 LEU N N 120.821 0.300 1 181 21 21 SER H H 7.909 0.030 1 182 21 21 SER HA H 4.181 0.030 1 183 21 21 SER HB2 H 3.995 0.030 1 184 21 21 SER HB3 H 3.995 0.030 1 185 21 21 SER C C 180.043 0.300 1 186 21 21 SER CA C 61.598 0.300 1 187 21 21 SER CB C 62.884 0.300 1 188 21 21 SER N N 113.893 0.300 1 189 22 22 GLU H H 8.774 0.030 1 190 22 22 GLU HA H 4.027 0.030 1 191 22 22 GLU HB2 H 2.026 0.030 2 192 22 22 GLU HB3 H 2.070 0.030 2 193 22 22 GLU HG2 H 2.280 0.030 2 194 22 22 GLU HG3 H 2.534 0.030 2 195 22 22 GLU C C 177.583 0.300 1 196 22 22 GLU CA C 59.157 0.300 1 197 22 22 GLU CB C 29.132 0.300 1 198 22 22 GLU CG C 37.323 0.300 1 199 22 22 GLU N N 122.353 0.300 1 200 23 23 ALA H H 7.272 0.030 1 201 23 23 ALA HA H 4.559 0.030 1 202 23 23 ALA HB H 1.578 0.030 1 203 23 23 ALA C C 177.201 0.300 1 204 23 23 ALA CA C 51.726 0.300 1 205 23 23 ALA CB C 19.941 0.300 1 206 23 23 ALA N N 118.897 0.300 1 207 24 24 GLY H H 7.964 0.030 1 208 24 24 GLY HA2 H 4.067 0.030 2 209 24 24 GLY HA3 H 3.843 0.030 2 210 24 24 GLY C C 175.167 0.300 1 211 24 24 GLY CA C 45.963 0.300 1 212 24 24 GLY N N 107.158 0.300 1 213 25 25 LYS H H 8.034 0.030 1 214 25 25 LYS HA H 4.511 0.030 1 215 25 25 LYS HB2 H 1.873 0.030 1 216 25 25 LYS HB3 H 1.873 0.030 1 217 25 25 LYS HG2 H 1.478 0.030 2 218 25 25 LYS HG3 H 1.263 0.030 2 219 25 25 LYS HD2 H 1.594 0.030 2 220 25 25 LYS HD3 H 1.299 0.030 2 221 25 25 LYS HE2 H 2.845 0.030 2 222 25 25 LYS HE3 H 3.350 0.030 2 223 25 25 LYS C C 177.567 0.300 1 224 25 25 LYS CA C 52.835 0.300 1 225 25 25 LYS CB C 32.412 0.300 1 226 25 25 LYS CG C 24.516 0.300 1 227 25 25 LYS CD C 28.131 0.300 1 228 25 25 LYS CE C 42.056 0.300 1 229 25 25 LYS N N 116.546 0.300 1 230 26 26 SER H H 9.434 0.030 1 231 26 26 SER HA H 4.544 0.030 1 232 26 26 SER HB2 H 3.896 0.030 2 233 26 26 SER HB3 H 3.941 0.030 2 234 26 26 SER C C 174.397 0.300 1 235 26 26 SER CA C 58.698 0.300 1 236 26 26 SER CB C 64.067 0.300 1 237 26 26 SER N N 116.765 0.300 1 238 27 27 THR H H 7.174 0.030 1 239 27 27 THR HA H 4.280 0.030 1 240 27 27 THR HB H 3.991 0.030 1 241 27 27 THR HG2 H 1.172 0.030 1 242 27 27 THR C C 172.732 0.300 1 243 27 27 THR CA C 59.841 0.300 1 244 27 27 THR CB C 71.606 0.300 1 245 27 27 THR CG2 C 23.505 0.300 1 246 27 27 THR N N 111.534 0.300 1 247 28 28 SER H H 7.560 0.030 1 248 28 28 SER HA H 4.432 0.030 1 249 28 28 SER HB2 H 3.456 0.030 2 250 28 28 SER HB3 H 3.867 0.030 2 251 28 28 SER C C 173.345 0.300 1 252 28 28 SER CA C 57.601 0.300 1 253 28 28 SER CB C 64.889 0.300 1 254 28 28 SER N N 108.376 0.300 1 255 29 29 ILE H H 9.524 0.030 1 256 29 29 ILE HA H 4.831 0.030 1 257 29 29 ILE HB H 1.744 0.030 1 258 29 29 ILE HG12 H 0.591 0.030 2 259 29 29 ILE HG13 H 1.192 0.030 2 260 29 29 ILE HG2 H 0.631 0.030 1 261 29 29 ILE HD1 H -0.064 0.030 1 262 29 29 ILE C C 175.662 0.300 1 263 29 29 ILE CA C 59.511 0.300 1 264 29 29 ILE CB C 41.973 0.300 1 265 29 29 ILE CG1 C 24.549 0.300 1 266 29 29 ILE CG2 C 18.486 0.300 1 267 29 29 ILE CD1 C 13.705 0.300 1 268 29 29 ILE N N 113.272 0.300 1 269 30 30 GLN H H 10.123 0.030 1 270 30 30 GLN HA H 4.260 0.030 1 271 30 30 GLN HB2 H 2.112 0.030 2 272 30 30 GLN HB3 H 1.859 0.030 2 273 30 30 GLN HG2 H 2.313 0.030 2 274 30 30 GLN HG3 H 2.407 0.030 2 275 30 30 GLN HE21 H 7.558 0.030 2 276 30 30 GLN HE22 H 6.789 0.030 2 277 30 30 GLN C C 176.469 0.300 1 278 30 30 GLN CA C 56.575 0.300 1 279 30 30 GLN CB C 30.185 0.300 1 280 30 30 GLN CG C 34.082 0.300 1 281 30 30 GLN N N 120.010 0.300 1 282 30 30 GLN NE2 N 113.154 0.300 1 283 31 31 SER H H 7.780 0.030 1 284 31 31 SER HA H 3.923 0.030 1 285 31 31 SER HB2 H 4.114 0.030 2 286 31 31 SER HB3 H 3.967 0.030 2 287 31 31 SER C C 172.905 0.300 1 288 31 31 SER CA C 57.070 0.300 1 289 31 31 SER CB C 63.151 0.300 1 290 31 31 SER N N 109.102 0.300 1 291 32 32 PHE H H 8.500 0.030 1 292 32 32 PHE HA H 4.810 0.030 1 293 32 32 PHE HB2 H 2.818 0.030 2 294 32 32 PHE HB3 H 3.705 0.030 2 295 32 32 PHE HD1 H 7.172 0.030 1 296 32 32 PHE HD2 H 7.172 0.030 1 297 32 32 PHE HE1 H 7.084 0.030 1 298 32 32 PHE HE2 H 7.084 0.030 1 299 32 32 PHE HZ H 7.116 0.030 1 300 32 32 PHE C C 171.994 0.300 1 301 32 32 PHE CA C 57.526 0.300 1 302 32 32 PHE CB C 37.027 0.300 1 303 32 32 PHE CD1 C 130.660 0.300 1 304 32 32 PHE CD2 C 130.660 0.300 1 305 32 32 PHE CE1 C 131.286 0.300 1 306 32 32 PHE CE2 C 131.286 0.300 1 307 32 32 PHE CZ C 128.968 0.300 1 308 32 32 PHE N N 115.242 0.300 1 309 33 33 LYS H H 7.799 0.030 1 310 33 33 LYS HA H 4.593 0.030 1 311 33 33 LYS HB2 H 1.694 0.030 2 312 33 33 LYS HB3 H 1.893 0.030 2 313 33 33 LYS HG2 H 1.471 0.030 2 314 33 33 LYS HG3 H 1.379 0.030 2 315 33 33 LYS HD2 H 1.719 0.030 1 316 33 33 LYS HD3 H 1.719 0.030 1 317 33 33 LYS HE2 H 3.021 0.030 1 318 33 33 LYS HE3 H 3.021 0.030 1 319 33 33 LYS C C 176.569 0.300 1 320 33 33 LYS CA C 54.630 0.300 1 321 33 33 LYS CB C 33.482 0.300 1 322 33 33 LYS CG C 24.836 0.300 1 323 33 33 LYS CD C 29.707 0.300 1 324 33 33 LYS CE C 42.169 0.300 1 325 33 33 LYS N N 110.938 0.300 1 326 34 34 ASP H H 6.648 0.030 1 327 34 34 ASP HA H 4.293 0.030 1 328 34 34 ASP HB2 H 2.702 0.030 2 329 34 34 ASP HB3 H 3.179 0.030 2 330 34 34 ASP C C 176.927 0.300 1 331 34 34 ASP CA C 54.064 0.300 1 332 34 34 ASP CB C 42.343 0.300 1 333 34 34 ASP N N 122.106 0.300 1 334 35 35 LYS H H 8.887 0.030 1 335 35 35 LYS HA H 4.183 0.030 1 336 35 35 LYS HB2 H 2.016 0.030 2 337 35 35 LYS HB3 H 2.062 0.030 2 338 35 35 LYS HG2 H 1.695 0.030 1 339 35 35 LYS HG3 H 1.695 0.030 1 340 35 35 LYS HD2 H 1.779 0.030 1 341 35 35 LYS HD3 H 1.779 0.030 1 342 35 35 LYS HE2 H 3.104 0.030 2 343 35 35 LYS HE3 H 2.991 0.030 2 344 35 35 LYS C C 179.594 0.300 1 345 35 35 LYS CA C 58.767 0.300 1 346 35 35 LYS CB C 32.021 0.300 1 347 35 35 LYS CG C 24.986 0.300 1 348 35 35 LYS CD C 28.797 0.300 1 349 35 35 LYS CE C 42.211 0.300 1 350 35 35 LYS N N 126.880 0.300 1 351 36 36 THR H H 8.963 0.030 1 352 36 36 THR HA H 4.390 0.030 1 353 36 36 THR HB H 4.440 0.030 1 354 36 36 THR HG2 H 1.434 0.030 1 355 36 36 THR C C 177.605 0.300 1 356 36 36 THR CA C 64.605 0.300 1 357 36 36 THR CB C 69.471 0.300 1 358 36 36 THR CG2 C 21.734 0.300 1 359 36 36 THR N N 112.404 0.300 1 360 37 37 ILE H H 8.352 0.030 1 361 37 37 ILE HA H 4.025 0.030 1 362 37 37 ILE HB H 2.295 0.030 1 363 37 37 ILE HG12 H 1.143 0.030 2 364 37 37 ILE HG13 H 1.983 0.030 2 365 37 37 ILE HG2 H 1.190 0.030 1 366 37 37 ILE HD1 H 1.367 0.030 1 367 37 37 ILE C C 176.319 0.300 1 368 37 37 ILE CA C 64.461 0.300 1 369 37 37 ILE CB C 37.531 0.300 1 370 37 37 ILE CG1 C 32.707 0.300 1 371 37 37 ILE CG2 C 17.453 0.300 1 372 37 37 ILE CD1 C 14.834 0.300 1 373 37 37 ILE N N 125.350 0.300 1 374 38 38 SER H H 7.613 0.030 1 375 38 38 SER HA H 4.708 0.030 1 376 38 38 SER HB2 H 4.326 0.030 2 377 38 38 SER HB3 H 4.057 0.030 2 378 38 38 SER C C 175.438 0.300 1 379 38 38 SER CA C 60.077 0.300 1 380 38 38 SER CB C 65.141 0.300 1 381 38 38 SER N N 113.742 0.300 1 382 39 39 SER H H 7.519 0.030 1 383 39 39 SER HA H 4.235 0.030 1 384 39 39 SER HB2 H 4.050 0.030 2 385 39 39 SER HB3 H 4.100 0.030 2 386 39 39 SER C C 174.504 0.300 1 387 39 39 SER CA C 59.290 0.300 1 388 39 39 SER CB C 65.136 0.300 1 389 39 39 SER N N 116.898 0.300 1 390 40 40 SER H H 8.694 0.030 1 391 40 40 SER HA H 4.147 0.030 1 392 40 40 SER HB2 H 4.237 0.030 2 393 40 40 SER HB3 H 3.820 0.030 2 394 40 40 SER C C 174.172 0.300 1 395 40 40 SER CA C 63.615 0.300 1 396 40 40 SER CB C 62.362 0.300 1 397 40 40 SER N N 110.129 0.300 1 398 41 41 LEU H H 8.230 0.030 1 399 41 41 LEU HA H 4.020 0.030 1 400 41 41 LEU HB2 H 1.729 0.030 2 401 41 41 LEU HB3 H 1.554 0.030 2 402 41 41 LEU HG H 1.691 0.030 1 403 41 41 LEU HD1 H 1.027 0.030 1 404 41 41 LEU HD2 H 0.862 0.030 1 405 41 41 LEU C C 178.895 0.300 1 406 41 41 LEU CA C 58.839 0.300 1 407 41 41 LEU CB C 40.333 0.300 1 408 41 41 LEU CG C 26.720 0.300 1 409 41 41 LEU CD1 C 24.679 0.300 2 410 41 41 LEU CD2 C 22.295 0.300 2 411 41 41 LEU N N 123.499 0.300 1 412 42 42 ALA H H 8.948 0.030 1 413 42 42 ALA HA H 4.300 0.030 1 414 42 42 ALA HB H 1.276 0.030 1 415 42 42 ALA C C 178.770 0.300 1 416 42 42 ALA CA C 54.913 0.300 1 417 42 42 ALA CB C 17.912 0.300 1 418 42 42 ALA N N 118.810 0.300 1 419 43 43 VAL H H 7.079 0.030 1 420 43 43 VAL HA H 3.452 0.030 1 421 43 43 VAL HB H 2.037 0.030 1 422 43 43 VAL HG1 H 0.605 0.030 1 423 43 43 VAL HG2 H 0.693 0.030 1 424 43 43 VAL C C 177.146 0.300 1 425 43 43 VAL CA C 66.586 0.300 1 426 43 43 VAL CB C 31.397 0.300 1 427 43 43 VAL CG1 C 22.026 0.300 2 428 43 43 VAL CG2 C 22.541 0.300 2 429 43 43 VAL N N 113.794 0.300 1 430 44 44 VAL H H 8.212 0.030 1 431 44 44 VAL HA H 3.445 0.030 1 432 44 44 VAL HB H 2.183 0.030 1 433 44 44 VAL HG1 H 0.906 0.030 1 434 44 44 VAL HG2 H 1.081 0.030 1 435 44 44 VAL C C 177.188 0.300 1 436 44 44 VAL CA C 67.223 0.300 1 437 44 44 VAL CB C 31.735 0.300 1 438 44 44 VAL CG1 C 22.936 0.300 2 439 44 44 VAL CG2 C 22.445 0.300 2 440 44 44 VAL N N 117.165 0.300 1 441 45 45 ASP H H 8.692 0.030 1 442 45 45 ASP HA H 4.376 0.030 1 443 45 45 ASP HB2 H 2.930 0.030 2 444 45 45 ASP HB3 H 2.198 0.030 2 445 45 45 ASP C C 177.760 0.300 1 446 45 45 ASP CA C 56.752 0.300 1 447 45 45 ASP CB C 40.140 0.300 1 448 45 45 ASP N N 118.533 0.300 1 449 46 46 LEU H H 7.916 0.030 1 450 46 46 LEU HA H 3.972 0.030 1 451 46 46 LEU HB2 H 1.724 0.030 2 452 46 46 LEU HB3 H 2.240 0.030 2 453 46 46 LEU HG H 1.792 0.030 1 454 46 46 LEU HD1 H 0.988 0.030 1 455 46 46 LEU HD2 H 1.385 0.030 1 456 46 46 LEU C C 178.088 0.300 1 457 46 46 LEU CA C 57.283 0.300 1 458 46 46 LEU CB C 42.246 0.300 1 459 46 46 LEU CG C 26.955 0.300 1 460 46 46 LEU CD1 C 23.666 0.300 2 461 46 46 LEU CD2 C 29.140 0.300 2 462 46 46 LEU N N 121.740 0.300 1 463 47 47 ILE H H 8.093 0.030 1 464 47 47 ILE HA H 3.371 0.030 1 465 47 47 ILE HB H 1.877 0.030 1 466 47 47 ILE HG12 H 0.536 0.030 2 467 47 47 ILE HG13 H 1.974 0.030 2 468 47 47 ILE HG2 H 0.729 0.030 1 469 47 47 ILE HD1 H 0.702 0.030 1 470 47 47 ILE C C 177.154 0.300 1 471 47 47 ILE CA C 66.526 0.300 1 472 47 47 ILE CB C 37.948 0.300 1 473 47 47 ILE CG1 C 31.008 0.300 1 474 47 47 ILE CG2 C 18.553 0.300 1 475 47 47 ILE CD1 C 15.990 0.300 1 476 47 47 ILE N N 120.523 0.300 1 477 48 48 ASP H H 7.909 0.030 1 478 48 48 ASP HA H 4.515 0.030 1 479 48 48 ASP HB2 H 2.704 0.030 2 480 48 48 ASP HB3 H 2.566 0.030 2 481 48 48 ASP C C 177.409 0.300 1 482 48 48 ASP CA C 57.247 0.300 1 483 48 48 ASP CB C 43.559 0.300 1 484 48 48 ASP N N 117.231 0.300 1 485 49 49 ALA H H 8.195 0.030 1 486 49 49 ALA HA H 4.057 0.030 1 487 49 49 ALA HB H 1.360 0.030 1 488 49 49 ALA C C 179.916 0.300 1 489 49 49 ALA CA C 54.113 0.300 1 490 49 49 ALA CB C 19.041 0.300 1 491 49 49 ALA N N 117.782 0.300 1 492 50 50 ILE H H 7.967 0.030 1 493 50 50 ILE HA H 3.912 0.030 1 494 50 50 ILE HB H 1.916 0.030 1 495 50 50 ILE HG12 H 1.957 0.030 2 496 50 50 ILE HG13 H 1.252 0.030 2 497 50 50 ILE HG2 H 0.971 0.030 1 498 50 50 ILE HD1 H 0.936 0.030 1 499 50 50 ILE C C 176.339 0.300 1 500 50 50 ILE CA C 63.995 0.300 1 501 50 50 ILE CB C 38.832 0.300 1 502 50 50 ILE CG1 C 28.417 0.300 1 503 50 50 ILE CG2 C 17.667 0.300 1 504 50 50 ILE CD1 C 15.710 0.300 1 505 50 50 ILE N N 117.097 0.300 1 506 51 51 GLN H H 8.188 0.030 1 507 51 51 GLN HA H 4.738 0.030 1 508 51 51 GLN HB2 H 1.736 0.030 2 509 51 51 GLN HB3 H 2.323 0.030 2 510 51 51 GLN HG2 H 2.213 0.030 1 511 51 51 GLN HG3 H 2.213 0.030 1 512 51 51 GLN HE21 H 7.517 0.030 2 513 51 51 GLN HE22 H 6.835 0.030 2 514 51 51 GLN C C 170.247 0.300 1 515 51 51 GLN CA C 52.896 0.300 1 516 51 51 GLN CB C 30.155 0.300 1 517 51 51 GLN CG C 34.692 0.300 1 518 51 51 GLN N N 121.649 0.300 1 519 51 51 GLN NE2 N 112.172 0.300 1 520 52 52 PRO HA H 4.857 0.030 1 521 52 52 PRO HB2 H 2.344 0.030 2 522 52 52 PRO HB3 H 1.874 0.030 2 523 52 52 PRO HG2 H 2.070 0.030 1 524 52 52 PRO HG3 H 2.070 0.030 1 525 52 52 PRO HD2 H 3.556 0.030 2 526 52 52 PRO HD3 H 3.441 0.030 2 527 52 52 PRO C C 179.126 0.300 1 528 52 52 PRO CA C 64.570 0.300 1 529 52 52 PRO CB C 32.081 0.300 1 530 52 52 PRO CG C 27.399 0.300 1 531 52 52 PRO CD C 50.099 0.300 1 532 53 53 GLY H H 8.878 0.030 1 533 53 53 GLY HA2 H 4.046 0.030 2 534 53 53 GLY HA3 H 4.338 0.030 2 535 53 53 GLY C C 175.449 0.300 1 536 53 53 GLY CA C 45.397 0.300 1 537 53 53 GLY N N 113.780 0.300 1 538 54 54 CYS H H 8.453 0.030 1 539 54 54 CYS HA H 4.455 0.030 1 540 54 54 CYS HB2 H 2.753 0.030 2 541 54 54 CYS HB3 H 2.890 0.030 2 542 54 54 CYS C C 174.592 0.300 1 543 54 54 CYS CA C 59.688 0.300 1 544 54 54 CYS CB C 27.775 0.300 1 545 54 54 CYS N N 118.243 0.300 1 546 55 55 ILE H H 7.458 0.030 1 547 55 55 ILE HA H 3.970 0.030 1 548 55 55 ILE HB H 1.705 0.030 1 549 55 55 ILE HG12 H 1.480 0.030 2 550 55 55 ILE HG13 H 1.709 0.030 2 551 55 55 ILE HG2 H -0.179 0.030 1 552 55 55 ILE HD1 H 0.487 0.030 1 553 55 55 ILE C C 175.487 0.300 1 554 55 55 ILE CA C 57.601 0.300 1 555 55 55 ILE CB C 36.443 0.300 1 556 55 55 ILE CG1 C 26.070 0.300 1 557 55 55 ILE CG2 C 15.382 0.300 1 558 55 55 ILE CD1 C 9.249 0.300 1 559 55 55 ILE N N 121.054 0.300 1 560 56 56 ASN H H 7.998 0.030 1 561 56 56 ASN HA H 4.906 0.030 1 562 56 56 ASN HB2 H 2.742 0.030 2 563 56 56 ASN HB3 H 3.102 0.030 2 564 56 56 ASN HD21 H 7.567 0.030 2 565 56 56 ASN HD22 H 7.232 0.030 2 566 56 56 ASN C C 176.144 0.300 1 567 56 56 ASN CA C 50.736 0.300 1 568 56 56 ASN CB C 37.549 0.300 1 569 56 56 ASN N N 124.481 0.300 1 570 56 56 ASN ND2 N 109.479 0.300 1 571 57 57 TYR H H 9.062 0.030 1 572 57 57 TYR HA H 3.803 0.030 1 573 57 57 TYR HB2 H 3.190 0.030 2 574 57 57 TYR HB3 H 2.806 0.030 2 575 57 57 TYR HD1 H 7.113 0.030 1 576 57 57 TYR HD2 H 7.113 0.030 1 577 57 57 TYR HE1 H 6.770 0.030 1 578 57 57 TYR HE2 H 6.770 0.030 1 579 57 57 TYR C C 177.202 0.300 1 580 57 57 TYR CA C 63.261 0.300 1 581 57 57 TYR CB C 37.304 0.300 1 582 57 57 TYR CD1 C 132.972 0.300 1 583 57 57 TYR CD2 C 132.972 0.300 1 584 57 57 TYR CE1 C 118.303 0.300 1 585 57 57 TYR CE2 C 118.303 0.300 1 586 57 57 TYR N N 122.887 0.300 1 587 58 58 ASP H H 8.187 0.030 1 588 58 58 ASP HA H 4.536 0.030 1 589 58 58 ASP HB2 H 2.629 0.030 2 590 58 58 ASP HB3 H 2.690 0.030 2 591 58 58 ASP C C 177.656 0.300 1 592 58 58 ASP CA C 56.611 0.300 1 593 58 58 ASP CB C 39.833 0.300 1 594 58 58 ASP N N 118.885 0.300 1 595 59 59 LEU H H 7.632 0.030 1 596 59 59 LEU HA H 4.114 0.030 1 597 59 59 LEU HB2 H 1.206 0.030 2 598 59 59 LEU HB3 H 0.989 0.030 2 599 59 59 LEU HG H 1.253 0.030 1 600 59 59 LEU HD1 H 0.815 0.030 1 601 59 59 LEU HD2 H 0.631 0.030 1 602 59 59 LEU C C 175.522 0.300 1 603 59 59 LEU CA C 54.228 0.300 1 604 59 59 LEU CB C 40.358 0.300 1 605 59 59 LEU CG C 26.810 0.300 1 606 59 59 LEU CD1 C 25.541 0.300 2 607 59 59 LEU CD2 C 21.725 0.300 2 608 59 59 LEU N N 117.709 0.300 1 609 60 60 VAL H H 7.023 0.030 1 610 60 60 VAL HA H 3.841 0.030 1 611 60 60 VAL HB H 2.100 0.030 1 612 60 60 VAL HG1 H 0.855 0.030 1 613 60 60 VAL HG2 H 0.751 0.030 1 614 60 60 VAL C C 174.921 0.300 1 615 60 60 VAL CA C 61.111 0.300 1 616 60 60 VAL CB C 34.036 0.300 1 617 60 60 VAL CG1 C 22.138 0.300 2 618 60 60 VAL CG2 C 21.957 0.300 2 619 60 60 VAL N N 118.367 0.300 1 620 61 61 LYS H H 9.106 0.030 1 621 61 61 LYS HA H 4.595 0.030 1 622 61 61 LYS HB2 H 1.670 0.030 2 623 61 61 LYS HB3 H 1.759 0.030 2 624 61 61 LYS HG2 H 1.491 0.030 1 625 61 61 LYS HG3 H 1.491 0.030 1 626 61 61 LYS HD2 H 1.638 0.030 1 627 61 61 LYS HD3 H 1.638 0.030 1 628 61 61 LYS HE2 H 2.993 0.030 2 629 61 61 LYS C C 175.448 0.300 1 630 61 61 LYS CA C 54.700 0.300 1 631 61 61 LYS CB C 33.400 0.300 1 632 61 61 LYS CG C 24.262 0.300 1 633 61 61 LYS CD C 28.296 0.300 1 634 61 61 LYS CE C 42.337 0.300 1 635 61 61 LYS N N 128.189 0.300 1 636 62 62 SER H H 8.536 0.030 1 637 62 62 SER HA H 4.755 0.030 1 638 62 62 SER HB2 H 3.779 0.030 2 639 62 62 SER HB3 H 3.927 0.030 2 640 62 62 SER C C 173.543 0.300 1 641 62 62 SER CA C 57.177 0.300 1 642 62 62 SER CB C 65.434 0.300 1 643 62 62 SER N N 115.928 0.300 1 644 63 63 GLY H H 8.310 0.030 1 645 63 63 GLY HA2 H 4.086 0.030 2 646 63 63 GLY HA3 H 3.748 0.030 2 647 63 63 GLY C C 173.223 0.300 1 648 63 63 GLY CA C 45.150 0.300 1 649 63 63 GLY N N 109.443 0.300 1 650 64 64 ASN H H 8.710 0.030 1 651 64 64 ASN HA H 4.643 0.030 1 652 64 64 ASN HB2 H 2.713 0.030 2 653 64 64 ASN HB3 H 2.830 0.030 2 654 64 64 ASN HD21 H 7.629 0.030 2 655 64 64 ASN HD22 H 6.930 0.030 2 656 64 64 ASN C C 174.805 0.300 1 657 64 64 ASN CA C 53.107 0.300 1 658 64 64 ASN CB C 37.489 0.300 1 659 64 64 ASN N N 123.591 0.300 1 660 64 64 ASN ND2 N 113.219 0.300 1 661 65 65 LEU H H 8.137 0.030 1 662 65 65 LEU HA H 4.683 0.030 1 663 65 65 LEU HB2 H 1.689 0.030 2 664 65 65 LEU HB3 H 1.480 0.030 2 665 65 65 LEU HG H 1.689 0.030 1 666 65 65 LEU HD1 H 0.814 0.030 1 667 65 65 LEU HD2 H 0.594 0.030 1 668 65 65 LEU C C 178.642 0.300 1 669 65 65 LEU CA C 55.231 0.300 1 670 65 65 LEU CB C 43.488 0.300 1 671 65 65 LEU CG C 27.204 0.300 1 672 65 65 LEU CD1 C 26.424 0.300 2 673 65 65 LEU CD2 C 24.193 0.300 2 674 65 65 LEU N N 123.384 0.300 1 675 66 66 THR H H 9.220 0.030 1 676 66 66 THR HA H 4.587 0.030 1 677 66 66 THR HB H 4.773 0.030 1 678 66 66 THR HG2 H 1.386 0.030 1 679 66 66 THR C C 175.777 0.300 1 680 66 66 THR CA C 60.422 0.300 1 681 66 66 THR CB C 71.401 0.300 1 682 66 66 THR CG2 C 21.759 0.300 1 683 66 66 THR N N 114.848 0.300 1 684 67 67 GLU H H 8.978 0.030 1 685 67 67 GLU HA H 3.985 0.030 1 686 67 67 GLU HB2 H 2.171 0.030 2 687 67 67 GLU HB3 H 2.089 0.030 2 688 67 67 GLU HG2 H 2.419 0.030 1 689 67 67 GLU HG3 H 2.419 0.030 1 690 67 67 GLU C C 179.447 0.300 1 691 67 67 GLU CA C 60.289 0.300 1 692 67 67 GLU CB C 28.972 0.300 1 693 67 67 GLU CG C 36.482 0.300 1 694 67 67 GLU N N 120.456 0.300 1 695 68 68 ASP H H 8.319 0.030 1 696 68 68 ASP HA H 4.480 0.030 1 697 68 68 ASP HB2 H 2.581 0.030 1 698 68 68 ASP HB3 H 2.581 0.030 1 699 68 68 ASP C C 178.469 0.300 1 700 68 68 ASP CA C 57.672 0.300 1 701 68 68 ASP CB C 40.688 0.300 1 702 68 68 ASP N N 119.270 0.300 1 703 69 69 ASP H H 7.877 0.030 1 704 69 69 ASP HA H 4.382 0.030 1 705 69 69 ASP HB2 H 3.107 0.030 2 706 69 69 ASP HB3 H 2.448 0.030 2 707 69 69 ASP C C 178.845 0.300 1 708 69 69 ASP CA C 57.578 0.300 1 709 69 69 ASP CB C 42.294 0.300 1 710 69 69 ASP N N 120.455 0.300 1 711 70 70 LYS H H 8.152 0.030 1 712 70 70 LYS HA H 3.900 0.030 1 713 70 70 LYS HB2 H 2.075 0.030 1 714 70 70 LYS HB3 H 2.075 0.030 1 715 70 70 LYS HG2 H 1.171 0.030 2 716 70 70 LYS HG3 H 1.761 0.030 2 717 70 70 LYS HD2 H 1.638 0.030 1 718 70 70 LYS HD3 H 1.638 0.030 1 719 70 70 LYS HE2 H 2.751 0.030 2 720 70 70 LYS HE3 H 2.686 0.030 2 721 70 70 LYS C C 180.144 0.300 1 722 70 70 LYS CA C 60.820 0.300 1 723 70 70 LYS CB C 32.534 0.300 1 724 70 70 LYS CG C 28.057 0.300 1 725 70 70 LYS CD C 30.087 0.300 1 726 70 70 LYS CE C 42.438 0.300 1 727 70 70 LYS N N 118.503 0.300 1 728 71 71 HIS H H 8.393 0.030 1 729 71 71 HIS HA H 3.998 0.030 1 730 71 71 HIS HB2 H 3.318 0.030 2 731 71 71 HIS HB3 H 3.245 0.030 2 732 71 71 HIS HD2 H 7.164 0.030 1 733 71 71 HIS HE1 H 7.908 0.030 1 734 71 71 HIS C C 177.296 0.300 1 735 71 71 HIS CA C 61.343 0.300 1 736 71 71 HIS CB C 30.102 0.300 1 737 71 71 HIS CD2 C 120.209 0.300 1 738 71 71 HIS CE1 C 137.672 0.300 1 739 71 71 HIS N N 121.417 0.300 1 740 72 72 ASN H H 8.530 0.030 1 741 72 72 ASN HA H 4.530 0.030 1 742 72 72 ASN HB2 H 2.944 0.030 2 743 72 72 ASN HB3 H 3.050 0.030 2 744 72 72 ASN HD21 H 7.829 0.030 2 745 72 72 ASN HD22 H 7.009 0.030 2 746 72 72 ASN C C 178.797 0.300 1 747 72 72 ASN CA C 56.964 0.300 1 748 72 72 ASN CB C 38.208 0.300 1 749 72 72 ASN N N 119.037 0.300 1 750 72 72 ASN ND2 N 114.254 0.300 1 751 73 73 ASN H H 8.795 0.030 1 752 73 73 ASN HA H 4.420 0.030 1 753 73 73 ASN HB2 H 3.185 0.030 2 754 73 73 ASN HB3 H 2.823 0.030 2 755 73 73 ASN HD21 H 8.062 0.030 2 756 73 73 ASN HD22 H 8.437 0.030 2 757 73 73 ASN C C 176.806 0.300 1 758 73 73 ASN CA C 55.903 0.300 1 759 73 73 ASN CB C 37.686 0.300 1 760 73 73 ASN N N 121.847 0.300 1 761 73 73 ASN ND2 N 108.679 0.300 1 762 74 74 ALA H H 7.925 0.030 1 763 74 74 ALA HA H 4.335 0.030 1 764 74 74 ALA HB H 1.558 0.030 1 765 74 74 ALA C C 179.850 0.300 1 766 74 74 ALA CA C 55.090 0.300 1 767 74 74 ALA CB C 19.829 0.300 1 768 74 74 ALA N N 122.121 0.300 1 769 75 75 LYS H H 8.420 0.030 1 770 75 75 LYS HA H 3.848 0.030 1 771 75 75 LYS HB2 H 1.954 0.030 1 772 75 75 LYS HB3 H 1.954 0.030 1 773 75 75 LYS HG2 H 1.495 0.030 2 774 75 75 LYS HG3 H 1.670 0.030 2 775 75 75 LYS HD2 H 1.765 0.030 1 776 75 75 LYS HD3 H 1.765 0.030 1 777 75 75 LYS HE2 H 3.007 0.030 2 778 75 75 LYS C C 179.617 0.300 1 779 75 75 LYS CA C 60.113 0.300 1 780 75 75 LYS CB C 32.880 0.300 1 781 75 75 LYS CG C 25.739 0.300 1 782 75 75 LYS CD C 29.866 0.300 1 783 75 75 LYS CE C 42.091 0.300 1 784 75 75 LYS N N 118.152 0.300 1 785 76 76 TYR H H 7.908 0.030 1 786 76 76 TYR HA H 4.359 0.030 1 787 76 76 TYR HB2 H 3.300 0.030 2 788 76 76 TYR HB3 H 2.937 0.030 2 789 76 76 TYR HD1 H 6.881 0.030 1 790 76 76 TYR HD2 H 6.881 0.030 1 791 76 76 TYR HE1 H 6.601 0.030 1 792 76 76 TYR HE2 H 6.601 0.030 1 793 76 76 TYR C C 177.098 0.300 1 794 76 76 TYR CA C 60.865 0.300 1 795 76 76 TYR CB C 38.280 0.300 1 796 76 76 TYR CD1 C 131.699 0.300 1 797 76 76 TYR CD2 C 131.699 0.300 1 798 76 76 TYR CE1 C 118.088 0.300 1 799 76 76 TYR CE2 C 118.088 0.300 1 800 76 76 TYR N N 120.965 0.300 1 801 77 77 ALA H H 8.764 0.030 1 802 77 77 ALA HA H 3.437 0.030 1 803 77 77 ALA HB H 1.385 0.030 1 804 77 77 ALA C C 179.025 0.300 1 805 77 77 ALA CA C 55.827 0.300 1 806 77 77 ALA CB C 18.178 0.300 1 807 77 77 ALA N N 121.483 0.300 1 808 78 78 VAL H H 8.263 0.030 1 809 78 78 VAL HA H 3.355 0.030 1 810 78 78 VAL HB H 2.010 0.030 1 811 78 78 VAL HG1 H 0.831 0.030 1 812 78 78 VAL HG2 H 0.862 0.030 1 813 78 78 VAL C C 177.806 0.300 1 814 78 78 VAL CA C 67.319 0.300 1 815 78 78 VAL CB C 31.257 0.300 1 816 78 78 VAL CG1 C 21.401 0.300 2 817 78 78 VAL CG2 C 22.087 0.300 2 818 78 78 VAL N N 113.862 0.300 1 819 79 79 SER H H 7.639 0.030 1 820 79 79 SER HA H 4.153 0.030 1 821 79 79 SER HB2 H 3.969 0.030 1 822 79 79 SER HB3 H 3.969 0.030 1 823 79 79 SER C C 178.065 0.300 1 824 79 79 SER CA C 61.634 0.300 1 825 79 79 SER CB C 62.910 0.300 1 826 79 79 SER N N 114.514 0.300 1 827 80 80 MET H H 8.466 0.030 1 828 80 80 MET HA H 4.509 0.030 1 829 80 80 MET HB2 H 1.550 0.030 2 830 80 80 MET HB3 H 1.682 0.030 2 831 80 80 MET HG2 H 1.761 0.030 2 832 80 80 MET HG3 H 1.617 0.030 2 833 80 80 MET HE H 1.820 0.030 1 834 80 80 MET C C 178.091 0.300 1 835 80 80 MET CA C 55.337 0.300 1 836 80 80 MET CB C 29.608 0.300 1 837 80 80 MET CG C 31.256 0.300 1 838 80 80 MET CE C 15.730 0.300 1 839 80 80 MET N N 121.183 0.300 1 840 81 81 ALA H H 8.401 0.030 1 841 81 81 ALA HA H 3.803 0.030 1 842 81 81 ALA HB H 1.335 0.030 1 843 81 81 ALA C C 178.746 0.300 1 844 81 81 ALA CA C 55.124 0.300 1 845 81 81 ALA CB C 17.016 0.300 1 846 81 81 ALA N N 123.262 0.300 1 847 82 82 ARG H H 7.547 0.030 1 848 82 82 ARG HA H 4.240 0.030 1 849 82 82 ARG HB2 H 1.905 0.030 1 850 82 82 ARG HB3 H 1.905 0.030 1 851 82 82 ARG HG2 H 1.629 0.030 2 852 82 82 ARG HG3 H 1.901 0.030 2 853 82 82 ARG HD2 H 3.189 0.030 1 854 82 82 ARG HD3 H 3.189 0.030 1 855 82 82 ARG C C 181.098 0.300 1 856 82 82 ARG CA C 59.226 0.300 1 857 82 82 ARG CB C 29.959 0.300 1 858 82 82 ARG CG C 28.866 0.300 1 859 82 82 ARG CD C 43.630 0.300 1 860 82 82 ARG N N 115.348 0.300 1 861 83 83 ARG H H 8.103 0.030 1 862 83 83 ARG HA H 4.073 0.030 1 863 83 83 ARG HB2 H 2.054 0.030 2 864 83 83 ARG HB3 H 2.088 0.030 2 865 83 83 ARG HG2 H 1.674 0.030 2 866 83 83 ARG HG3 H 1.795 0.030 2 867 83 83 ARG HD2 H 3.202 0.030 2 868 83 83 ARG C C 178.808 0.300 1 869 83 83 ARG CA C 59.290 0.300 1 870 83 83 ARG CB C 29.917 0.300 1 871 83 83 ARG CG C 27.228 0.300 1 872 83 83 ARG CD C 43.362 0.300 1 873 83 83 ARG N N 122.209 0.300 1 874 84 84 ILE H H 7.598 0.030 1 875 84 84 ILE HA H 4.568 0.030 1 876 84 84 ILE HB H 2.203 0.030 1 877 84 84 ILE HG12 H 1.580 0.030 2 878 84 84 ILE HG13 H 1.329 0.030 2 879 84 84 ILE HG2 H 0.964 0.030 1 880 84 84 ILE HD1 H 0.841 0.030 1 881 84 84 ILE C C 176.018 0.300 1 882 84 84 ILE CA C 61.856 0.300 1 883 84 84 ILE CB C 38.575 0.300 1 884 84 84 ILE CG1 C 26.769 0.300 1 885 84 84 ILE CG2 C 18.232 0.300 1 886 84 84 ILE CD1 C 16.268 0.300 1 887 84 84 ILE N N 110.087 0.300 1 888 85 85 GLY H H 7.795 0.030 1 889 85 85 GLY HA2 H 4.352 0.030 2 890 85 85 GLY HA3 H 3.699 0.030 2 891 85 85 GLY C C 174.318 0.300 1 892 85 85 GLY CA C 45.468 0.300 1 893 85 85 GLY N N 108.534 0.300 1 894 86 86 ALA H H 8.229 0.030 1 895 86 86 ALA HA H 4.432 0.030 1 896 86 86 ALA HB H 1.070 0.030 1 897 86 86 ALA C C 175.913 0.300 1 898 86 86 ALA CA C 50.668 0.300 1 899 86 86 ALA CB C 19.379 0.300 1 900 86 86 ALA N N 123.914 0.300 1 901 87 87 ARG H H 8.471 0.030 1 902 87 87 ARG HA H 4.086 0.030 1 903 87 87 ARG HB2 H 1.671 0.030 2 904 87 87 ARG HB3 H 1.753 0.030 2 905 87 87 ARG HG2 H 1.548 0.030 2 906 87 87 ARG HG3 H 1.461 0.030 2 907 87 87 ARG HD2 H 3.144 0.030 2 908 87 87 ARG C C 174.686 0.300 1 909 87 87 ARG CA C 55.699 0.300 1 910 87 87 ARG CB C 28.207 0.300 1 911 87 87 ARG CG C 27.180 0.300 1 912 87 87 ARG CD C 43.429 0.300 1 913 87 87 ARG N N 124.367 0.300 1 914 88 88 VAL H H 7.654 0.030 1 915 88 88 VAL HA H 3.999 0.030 1 916 88 88 VAL HB H 1.853 0.030 1 917 88 88 VAL HG1 H 0.813 0.030 1 918 88 88 VAL HG2 H 0.909 0.030 1 919 88 88 VAL C C 175.278 0.300 1 920 88 88 VAL CA C 61.332 0.300 1 921 88 88 VAL CB C 33.732 0.300 1 922 88 88 VAL CG1 C 21.972 0.300 2 923 88 88 VAL CG2 C 22.233 0.300 2 924 88 88 VAL N N 121.127 0.300 1 925 89 89 TYR H H 8.597 0.030 1 926 89 89 TYR HA H 4.649 0.030 1 927 89 89 TYR HB2 H 3.050 0.030 2 928 89 89 TYR HB3 H 2.842 0.030 2 929 89 89 TYR HD1 H 7.069 0.030 1 930 89 89 TYR HD2 H 7.069 0.030 1 931 89 89 TYR HE1 H 6.749 0.030 1 932 89 89 TYR HE2 H 6.749 0.030 1 933 89 89 TYR C C 175.000 0.300 1 934 89 89 TYR CA C 56.969 0.300 1 935 89 89 TYR CB C 38.369 0.300 1 936 89 89 TYR CD1 C 133.486 0.300 1 937 89 89 TYR CD2 C 133.486 0.300 1 938 89 89 TYR CE1 C 118.005 0.300 1 939 89 89 TYR CE2 C 118.005 0.300 1 940 89 89 TYR N N 124.378 0.300 1 941 90 90 ALA H H 6.597 0.030 1 942 90 90 ALA HA H 4.210 0.030 1 943 90 90 ALA HB H 1.074 0.030 1 944 90 90 ALA C C 175.040 0.300 1 945 90 90 ALA CA C 51.835 0.300 1 946 90 90 ALA CB C 19.865 0.300 1 947 90 90 ALA N N 122.719 0.300 1 948 91 91 LEU H H 8.946 0.030 1 949 91 91 LEU HA H 4.705 0.030 1 950 91 91 LEU HB2 H 1.492 0.030 2 951 91 91 LEU HB3 H 1.754 0.030 2 952 91 91 LEU HG H 1.832 0.030 1 953 91 91 LEU HD1 H 0.974 0.030 1 954 91 91 LEU HD2 H 0.949 0.030 1 955 91 91 LEU C C 177.061 0.300 1 956 91 91 LEU CA C 52.266 0.300 1 957 91 91 LEU CB C 41.140 0.300 1 958 91 91 LEU CG C 27.180 0.300 1 959 91 91 LEU CD1 C 25.421 0.300 2 960 91 91 LEU CD2 C 22.479 0.300 2 961 91 91 LEU N N 120.934 0.300 1 962 92 92 PRO HA H 3.957 0.030 1 963 92 92 PRO HB2 H 2.050 0.030 2 964 92 92 PRO HB3 H 2.003 0.030 2 965 92 92 PRO HG2 H 1.842 0.030 2 966 92 92 PRO HG3 H 2.366 0.030 2 967 92 92 PRO HD2 H 3.924 0.030 2 968 92 92 PRO HD3 H 3.845 0.030 2 969 92 92 PRO C C 178.335 0.300 1 970 92 92 PRO CA C 66.368 0.300 1 971 92 92 PRO CB C 31.456 0.300 1 972 92 92 PRO CG C 28.889 0.300 1 973 92 92 PRO CD C 49.648 0.300 1 974 93 93 GLU H H 9.605 0.030 1 975 93 93 GLU HA H 3.876 0.030 1 976 93 93 GLU HB2 H 2.105 0.030 1 977 93 93 GLU HB3 H 2.105 0.030 1 978 93 93 GLU HG2 H 2.272 0.030 2 979 93 93 GLU HG3 H 2.387 0.030 2 980 93 93 GLU C C 177.131 0.300 1 981 93 93 GLU CA C 60.006 0.300 1 982 93 93 GLU CB C 28.866 0.300 1 983 93 93 GLU CG C 36.927 0.300 1 984 93 93 GLU N N 114.521 0.300 1 985 94 94 ASP H H 7.777 0.030 1 986 94 94 ASP HA H 4.232 0.030 1 987 94 94 ASP HB2 H 3.008 0.030 2 988 94 94 ASP HB3 H 2.332 0.030 2 989 94 94 ASP C C 177.824 0.300 1 990 94 94 ASP CA C 57.954 0.300 1 991 94 94 ASP CB C 41.269 0.300 1 992 94 94 ASP N N 119.454 0.300 1 993 95 95 LEU H H 6.953 0.030 1 994 95 95 LEU HA H 3.997 0.030 1 995 95 95 LEU HB2 H 1.963 0.030 2 996 95 95 LEU HB3 H 1.569 0.030 2 997 95 95 LEU HG H 1.456 0.030 1 998 95 95 LEU HD1 H 0.824 0.030 1 999 95 95 LEU HD2 H 0.706 0.030 1 1000 95 95 LEU C C 177.734 0.300 1 1001 95 95 LEU CA C 57.353 0.300 1 1002 95 95 LEU CB C 41.029 0.300 1 1003 95 95 LEU CG C 27.842 0.300 1 1004 95 95 LEU CD1 C 25.102 0.300 2 1005 95 95 LEU CD2 C 23.273 0.300 2 1006 95 95 LEU N N 116.740 0.300 1 1007 96 96 VAL H H 7.381 0.030 1 1008 96 96 VAL HA H 3.648 0.030 1 1009 96 96 VAL HB H 1.804 0.030 1 1010 96 96 VAL HG1 H 0.828 0.030 1 1011 96 96 VAL HG2 H 0.600 0.030 1 1012 96 96 VAL C C 177.859 0.300 1 1013 96 96 VAL CA C 66.567 0.300 1 1014 96 96 VAL CB C 32.246 0.300 1 1015 96 96 VAL CG1 C 21.900 0.300 2 1016 96 96 VAL CG2 C 22.305 0.300 2 1017 96 96 VAL N N 116.675 0.300 1 1018 97 97 GLU H H 7.870 0.030 1 1019 97 97 GLU HA H 4.156 0.030 1 1020 97 97 GLU HB2 H 2.191 0.030 2 1021 97 97 GLU HB3 H 1.862 0.030 2 1022 97 97 GLU HG2 H 2.291 0.030 2 1023 97 97 GLU HG3 H 2.432 0.030 2 1024 97 97 GLU C C 175.718 0.300 1 1025 97 97 GLU CA C 56.155 0.300 1 1026 97 97 GLU CB C 29.813 0.300 1 1027 97 97 GLU CG C 36.695 0.300 1 1028 97 97 GLU N N 112.955 0.300 1 1029 98 98 VAL H H 7.393 0.030 1 1030 98 98 VAL HA H 3.069 0.030 1 1031 98 98 VAL HB H 2.514 0.030 1 1032 98 98 VAL HG1 H 0.906 0.030 1 1033 98 98 VAL HG2 H 0.931 0.030 1 1034 98 98 VAL C C 173.637 0.300 1 1035 98 98 VAL CA C 63.544 0.300 1 1036 98 98 VAL CB C 29.225 0.300 1 1037 98 98 VAL CG1 C 23.816 0.300 2 1038 98 98 VAL CG2 C 22.131 0.300 2 1039 98 98 VAL N N 120.128 0.300 1 1040 99 99 LYS H H 8.033 0.030 1 1041 99 99 LYS HA H 4.732 0.030 1 1042 99 99 LYS HB2 H 1.982 0.030 2 1043 99 99 LYS HB3 H 1.857 0.030 2 1044 99 99 LYS HG2 H 1.434 0.030 2 1045 99 99 LYS HG3 H 1.603 0.030 2 1046 99 99 LYS HD2 H 1.852 0.030 2 1047 99 99 LYS HD3 H 1.807 0.030 2 1048 99 99 LYS HE2 H 2.897 0.030 2 1049 99 99 LYS HE3 H 3.007 0.030 2 1050 99 99 LYS C C 175.718 0.300 1 1051 99 99 LYS CA C 53.781 0.300 1 1052 99 99 LYS CB C 31.841 0.300 1 1053 99 99 LYS CG C 25.413 0.300 1 1054 99 99 LYS CD C 29.299 0.300 1 1055 99 99 LYS CE C 42.498 0.300 1 1056 99 99 LYS N N 124.385 0.300 1 1057 100 100 PRO HA H 4.338 0.030 1 1058 100 100 PRO HB2 H 1.990 0.030 2 1059 100 100 PRO HB3 H 2.176 0.030 2 1060 100 100 PRO HG2 H 2.185 0.030 2 1061 100 100 PRO HG3 H 2.013 0.030 2 1062 100 100 PRO HD2 H 4.754 0.030 2 1063 100 100 PRO HD3 H 3.852 0.030 2 1064 100 100 PRO C C 179.266 0.300 1 1065 100 100 PRO CA C 66.744 0.300 1 1066 100 100 PRO CB C 32.988 0.300 1 1067 100 100 PRO CG C 28.452 0.300 1 1068 100 100 PRO CD C 51.703 0.300 1 1069 101 101 LYS H H 8.744 0.030 1 1070 101 101 LYS HA H 4.026 0.030 1 1071 101 101 LYS HB2 H 1.810 0.030 2 1072 101 101 LYS HB3 H 1.907 0.030 2 1073 101 101 LYS HG2 H 1.534 0.030 2 1074 101 101 LYS HG3 H 1.424 0.030 2 1075 101 101 LYS HD2 H 1.696 0.030 2 1076 101 101 LYS HE2 H 2.991 0.030 2 1077 101 101 LYS C C 179.156 0.300 1 1078 101 101 LYS CA C 59.582 0.300 1 1079 101 101 LYS CB C 31.834 0.300 1 1080 101 101 LYS CG C 25.330 0.300 1 1081 101 101 LYS CD C 29.131 0.300 1 1082 101 101 LYS CE C 42.042 0.300 1 1083 101 101 LYS N N 116.874 0.300 1 1084 102 102 MET H H 7.206 0.030 1 1085 102 102 MET HA H 4.672 0.030 1 1086 102 102 MET HB2 H 2.051 0.030 2 1087 102 102 MET HB3 H 1.886 0.030 2 1088 102 102 MET HG2 H 2.791 0.030 2 1089 102 102 MET HG3 H 2.574 0.030 2 1090 102 102 MET HE H 2.038 0.030 1 1091 102 102 MET C C 179.820 0.300 1 1092 102 102 MET CA C 55.443 0.300 1 1093 102 102 MET CB C 31.766 0.300 1 1094 102 102 MET CG C 31.983 0.300 1 1095 102 102 MET CE C 16.324 0.300 1 1096 102 102 MET N N 115.726 0.300 1 1097 103 103 VAL H H 8.837 0.030 1 1098 103 103 VAL HA H 3.249 0.030 1 1099 103 103 VAL HB H 2.318 0.030 1 1100 103 103 VAL HG1 H 1.360 0.030 1 1101 103 103 VAL HG2 H 1.104 0.030 1 1102 103 103 VAL C C 177.628 0.300 1 1103 103 103 VAL CA C 67.407 0.300 1 1104 103 103 VAL CB C 31.987 0.300 1 1105 103 103 VAL CG1 C 23.580 0.300 2 1106 103 103 VAL CG2 C 24.004 0.300 2 1107 103 103 VAL N N 122.880 0.300 1 1108 104 104 MET H H 8.036 0.030 1 1109 104 104 MET HA H 2.545 0.030 1 1110 104 104 MET HB2 H 1.525 0.030 2 1111 104 104 MET HB3 H 1.969 0.030 2 1112 104 104 MET HG2 H 2.407 0.030 2 1113 104 104 MET HG3 H 1.960 0.030 2 1114 104 104 MET HE H 2.065 0.030 1 1115 104 104 MET C C 177.298 0.300 1 1116 104 104 MET CA C 59.628 0.300 1 1117 104 104 MET CB C 30.851 0.300 1 1118 104 104 MET CG C 31.199 0.300 1 1119 104 104 MET CE C 17.178 0.300 1 1120 104 104 MET N N 118.660 0.300 1 1121 105 105 THR H H 7.139 0.030 1 1122 105 105 THR HA H 3.957 0.030 1 1123 105 105 THR HB H 4.243 0.030 1 1124 105 105 THR HG2 H 1.420 0.030 1 1125 105 105 THR C C 176.850 0.300 1 1126 105 105 THR CA C 65.843 0.300 1 1127 105 105 THR CB C 69.017 0.300 1 1128 105 105 THR CG2 C 21.779 0.300 1 1129 105 105 THR N N 110.200 0.300 1 1130 106 106 VAL H H 7.657 0.030 1 1131 106 106 VAL HA H 3.456 0.030 1 1132 106 106 VAL HB H 2.007 0.030 1 1133 106 106 VAL HG1 H 0.363 0.030 1 1134 106 106 VAL HG2 H 0.799 0.030 1 1135 106 106 VAL C C 177.611 0.300 1 1136 106 106 VAL CA C 66.763 0.300 1 1137 106 106 VAL CB C 31.052 0.300 1 1138 106 106 VAL CG1 C 20.266 0.300 2 1139 106 106 VAL CG2 C 23.132 0.300 2 1140 106 106 VAL N N 124.260 0.300 1 1141 107 107 PHE H H 7.584 0.030 1 1142 107 107 PHE HA H 4.183 0.030 1 1143 107 107 PHE HB2 H 2.815 0.030 2 1144 107 107 PHE HB3 H 3.008 0.030 2 1145 107 107 PHE HD1 H 7.338 0.030 1 1146 107 107 PHE HD2 H 7.338 0.030 1 1147 107 107 PHE HE1 H 7.118 0.030 1 1148 107 107 PHE HE2 H 7.118 0.030 1 1149 107 107 PHE HZ H 6.974 0.030 1 1150 107 107 PHE C C 177.648 0.300 1 1151 107 107 PHE CA C 63.579 0.300 1 1152 107 107 PHE CB C 38.972 0.300 1 1153 107 107 PHE CD1 C 132.502 0.300 1 1154 107 107 PHE CD2 C 132.502 0.300 1 1155 107 107 PHE CE1 C 130.172 0.300 1 1156 107 107 PHE CE2 C 130.172 0.300 1 1157 107 107 PHE CZ C 133.145 0.300 1 1158 107 107 PHE N N 116.495 0.300 1 1159 108 108 ALA H H 9.341 0.030 1 1160 108 108 ALA HA H 3.930 0.030 1 1161 108 108 ALA HB H 1.471 0.030 1 1162 108 108 ALA C C 180.880 0.300 1 1163 108 108 ALA CA C 55.684 0.300 1 1164 108 108 ALA CB C 18.417 0.300 1 1165 108 108 ALA N N 121.662 0.300 1 1166 109 109 CYS H H 8.271 0.030 1 1167 109 109 CYS HA H 4.260 0.030 1 1168 109 109 CYS HB2 H 3.100 0.030 2 1169 109 109 CYS HB3 H 2.816 0.030 2 1170 109 109 CYS C C 178.554 0.300 1 1171 109 109 CYS CA C 62.443 0.300 1 1172 109 109 CYS CB C 26.813 0.300 1 1173 109 109 CYS N N 118.400 0.300 1 1174 110 110 LEU H H 7.920 0.030 1 1175 110 110 LEU HA H 3.954 0.030 1 1176 110 110 LEU HB2 H 2.122 0.030 2 1177 110 110 LEU HB3 H 1.353 0.030 2 1178 110 110 LEU HG H 1.689 0.030 1 1179 110 110 LEU HD1 H 0.699 0.030 1 1180 110 110 LEU HD2 H 0.702 0.030 1 1181 110 110 LEU C C 177.437 0.300 1 1182 110 110 LEU CA C 58.432 0.300 1 1183 110 110 LEU CB C 41.148 0.300 1 1184 110 110 LEU CG C 27.405 0.300 1 1185 110 110 LEU CD1 C 26.678 0.300 2 1186 110 110 LEU CD2 C 23.721 0.300 2 1187 110 110 LEU N N 122.417 0.300 1 1188 111 111 MET H H 8.401 0.030 1 1189 111 111 MET HA H 2.789 0.030 1 1190 111 111 MET HB2 H 1.345 0.030 2 1191 111 111 MET HB3 H 1.846 0.030 2 1192 111 111 MET HG2 H 1.532 0.030 2 1193 111 111 MET HG3 H 0.311 0.030 2 1194 111 111 MET HE H 1.746 0.030 1 1195 111 111 MET C C 177.629 0.300 1 1196 111 111 MET CA C 58.875 0.300 1 1197 111 111 MET CB C 31.951 0.300 1 1198 111 111 MET CG C 31.986 0.300 1 1199 111 111 MET CE C 17.772 0.300 1 1200 111 111 MET N N 121.260 0.300 1 1201 112 112 GLY H H 7.848 0.030 1 1202 112 112 GLY HA2 H 3.747 0.030 2 1203 112 112 GLY HA3 H 3.665 0.030 2 1204 112 112 GLY C C 175.913 0.300 1 1205 112 112 GLY CA C 46.862 0.300 1 1206 112 112 GLY N N 104.413 0.300 1 1207 113 113 ARG H H 7.389 0.030 1 1208 113 113 ARG HA H 4.376 0.030 1 1209 113 113 ARG HB2 H 1.926 0.030 2 1210 113 113 ARG HB3 H 2.070 0.030 2 1211 113 113 ARG HG2 H 1.562 0.030 1 1212 113 113 ARG HG3 H 1.562 0.030 1 1213 113 113 ARG HD2 H 3.058 0.030 2 1214 113 113 ARG HD3 H 3.429 0.030 2 1215 113 113 ARG HE H 7.552 0.030 1 1216 113 113 ARG C C 178.631 0.300 1 1217 113 113 ARG CA C 56.681 0.300 1 1218 113 113 ARG CB C 29.526 0.300 1 1219 113 113 ARG CG C 27.134 0.300 1 1220 113 113 ARG CD C 42.133 0.300 1 1221 113 113 ARG N N 120.399 0.300 1 1222 113 113 ARG NE N 83.887 0.300 1 1223 114 114 GLY H H 8.824 0.030 1 1224 114 114 GLY HA2 H 4.176 0.030 2 1225 114 114 GLY HA3 H 3.937 0.030 2 1226 114 114 GLY C C 174.531 0.300 1 1227 114 114 GLY CA C 46.458 0.300 1 1228 114 114 GLY N N 108.961 0.300 1 1229 115 115 MET H H 8.036 0.030 1 1230 115 115 MET HA H 4.558 0.030 1 1231 115 115 MET HB2 H 2.096 0.030 2 1232 115 115 MET HB3 H 1.946 0.030 2 1233 115 115 MET HG2 H 2.491 0.030 1 1234 115 115 MET HG3 H 2.491 0.030 1 1235 115 115 MET HE H 1.980 0.030 1 1236 115 115 MET C C 176.241 0.300 1 1237 115 115 MET CA C 56.221 0.300 1 1238 115 115 MET CB C 32.652 0.300 1 1239 115 115 MET CG C 31.985 0.300 1 1240 115 115 MET CE C 16.803 0.300 1 1241 115 115 MET N N 119.384 0.300 1 1242 116 116 LYS H H 7.979 0.030 1 1243 116 116 LYS HA H 4.340 0.030 1 1244 116 116 LYS HB2 H 1.902 0.030 1 1245 116 116 LYS HB3 H 1.902 0.030 1 1246 116 116 LYS HG2 H 1.551 0.030 2 1247 116 116 LYS HG3 H 1.474 0.030 2 1248 116 116 LYS HD2 H 1.720 0.030 1 1249 116 116 LYS HD3 H 1.720 0.030 1 1250 116 116 LYS HE2 H 3.021 0.030 2 1251 116 116 LYS C C 176.266 0.300 1 1252 116 116 LYS CA C 56.540 0.300 1 1253 116 116 LYS CB C 32.823 0.300 1 1254 116 116 LYS CG C 24.869 0.300 1 1255 116 116 LYS CD C 29.278 0.300 1 1256 116 116 LYS CE C 42.143 0.300 1 1257 116 116 LYS N N 121.882 0.300 1 1258 117 117 ARG H H 8.299 0.030 1 1259 117 117 ARG HA H 4.432 0.030 1 1260 117 117 ARG HB2 H 1.835 0.030 2 1261 117 117 ARG HB3 H 1.907 0.030 2 1262 117 117 ARG HG2 H 1.695 0.030 1 1263 117 117 ARG HG3 H 1.695 0.030 1 1264 117 117 ARG HD2 H 3.267 0.030 1 1265 117 117 ARG HD3 H 3.267 0.030 1 1266 117 117 ARG C C 176.360 0.300 1 1267 117 117 ARG CA C 56.151 0.300 1 1268 117 117 ARG CB C 30.933 0.300 1 1269 117 117 ARG CG C 27.180 0.300 1 1270 117 117 ARG CD C 43.469 0.300 1 1271 117 117 ARG N N 122.393 0.300 1 1272 118 118 VAL H H 8.265 0.030 1 1273 118 118 VAL HA H 4.239 0.030 1 1274 118 118 VAL HB H 2.145 0.030 1 1275 118 118 VAL HG1 H 0.976 0.030 1 1276 118 118 VAL HG2 H 0.979 0.030 1 1277 118 118 VAL C C 176.117 0.300 1 1278 118 118 VAL CA C 62.200 0.300 1 1279 118 118 VAL CB C 32.988 0.300 1 1280 118 118 VAL CG1 C 21.256 0.300 2 1281 118 118 VAL CG2 C 20.384 0.300 2 1282 118 118 VAL N N 121.335 0.300 1 1283 119 119 SER H H 8.426 0.030 1 1284 119 119 SER HA H 4.523 0.030 1 1285 119 119 SER HB2 H 3.854 0.030 2 1286 119 119 SER HB3 H 3.894 0.030 2 1287 119 119 SER C C 174.449 0.300 1 1288 119 119 SER CA C 58.273 0.300 1 1289 119 119 SER CB C 63.982 0.300 1 1290 119 119 SER N N 119.570 0.300 1 1291 120 120 GLY H H 8.278 0.030 1 1292 120 120 GLY HA2 H 4.154 0.030 1 1293 120 120 GLY HA3 H 4.154 0.030 1 1294 120 120 GLY C C 171.761 0.300 1 1295 120 120 GLY CA C 44.710 0.300 1 1296 120 120 GLY N N 110.856 0.300 1 1297 121 121 PRO HA H 4.492 0.030 1 1298 121 121 PRO HB2 H 2.309 0.030 2 1299 121 121 PRO HB3 H 1.991 0.030 2 1300 121 121 PRO HG2 H 2.032 0.030 1 1301 121 121 PRO HG3 H 2.032 0.030 1 1302 121 121 PRO HD2 H 3.644 0.030 1 1303 121 121 PRO HD3 H 3.644 0.030 1 1304 121 121 PRO C C 177.413 0.300 1 1305 121 121 PRO CA C 63.332 0.300 1 1306 121 121 PRO CB C 32.204 0.300 1 1307 121 121 PRO CG C 27.179 0.300 1 1308 121 121 PRO CD C 49.818 0.300 1 1309 122 122 SER H H 8.542 0.030 1 1310 122 122 SER HA H 4.565 0.030 1 1311 122 122 SER HB2 H 3.924 0.030 2 1312 122 122 SER C C 174.441 0.300 1 1313 122 122 SER CA C 58.450 0.300 1 1314 122 122 SER CB C 63.924 0.300 1 1315 122 122 SER N N 116.371 0.300 1 1316 123 123 SER H H 8.451 0.030 1 1317 123 123 SER HA H 4.480 0.030 1 1318 123 123 SER HB2 H 3.888 0.030 2 1319 123 123 SER C C 173.910 0.300 1 1320 123 123 SER CA C 58.379 0.300 1 1321 123 123 SER CB C 63.982 0.300 1 1322 123 123 SER N N 117.993 0.300 1 1323 124 124 GLY H H 8.059 0.030 1 1324 124 124 GLY N N 116.839 0.300 1 stop_ save_