data_11573 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the human BMX SH2 domain ; _BMRB_accession_number 11573 _BMRB_flat_file_name bmr11573.str _Entry_type original _Submission_date 2014-07-31 _Accession_date 2014-07-31 _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 Kasai Takuma . . 2 Koshiba Seizo . . 3 Watanabe Satoru . . 4 Harada Takushi . . 5 Kigawa Takanori . . 6 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 468 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ _Original_release_date 2014-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Stable isotope labeling strategy based on coding theory. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26293126 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kasai Takuma . . 2 Koshiba Seizo . . 3 Yokoyama Jun . . 4 Kigawa Takanori . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 63 _Journal_issue 2 _Journal_ISSN 0925-2738 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 213 _Page_last 221 _Year 2015 _Details . loop_ _Keyword 'Amino-acid selective isotope labeling' SiCode 'cell-free protein synthesis system' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BMX SH2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BMX SH2 domain' $BMX_SH2_domain 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_BMX_SH2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BMX_SH2_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSSGSSGLDDYDWFAGNISR SQSEQLLRQKGKEGAFMVRN SSQVGMYTVSLFSKAVNDKK GTVKHYHVHTNAENKLYLAE NYCFDSIPKLIHYHQHNSAG MITRLRHPVS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 GLY 5 5 SER 6 6 SER 7 7 GLY 8 8 LEU 9 9 ASP 10 10 ASP 11 11 TYR 12 12 ASP 13 13 TRP 14 14 PHE 15 15 ALA 16 16 GLY 17 17 ASN 18 18 ILE 19 19 SER 20 20 ARG 21 21 SER 22 22 GLN 23 23 SER 24 24 GLU 25 25 GLN 26 26 LEU 27 27 LEU 28 28 ARG 29 29 GLN 30 30 LYS 31 31 GLY 32 32 LYS 33 33 GLU 34 34 GLY 35 35 ALA 36 36 PHE 37 37 MET 38 38 VAL 39 39 ARG 40 40 ASN 41 41 SER 42 42 SER 43 43 GLN 44 44 VAL 45 45 GLY 46 46 MET 47 47 TYR 48 48 THR 49 49 VAL 50 50 SER 51 51 LEU 52 52 PHE 53 53 SER 54 54 LYS 55 55 ALA 56 56 VAL 57 57 ASN 58 58 ASP 59 59 LYS 60 60 LYS 61 61 GLY 62 62 THR 63 63 VAL 64 64 LYS 65 65 HIS 66 66 TYR 67 67 HIS 68 68 VAL 69 69 HIS 70 70 THR 71 71 ASN 72 72 ALA 73 73 GLU 74 74 ASN 75 75 LYS 76 76 LEU 77 77 TYR 78 78 LEU 79 79 ALA 80 80 GLU 81 81 ASN 82 82 TYR 83 83 CYS 84 84 PHE 85 85 ASP 86 86 SER 87 87 ILE 88 88 PRO 89 89 LYS 90 90 LEU 91 91 ILE 92 92 HIS 93 93 TYR 94 94 HIS 95 95 GLN 96 96 HIS 97 97 ASN 98 98 SER 99 99 ALA 100 100 GLY 101 101 MET 102 102 ILE 103 103 THR 104 104 ARG 105 105 LEU 106 106 ARG 107 107 HIS 108 108 PRO 109 109 VAL 110 110 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P51813 BMX . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BMX_SH2_domain 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 $BMX_SH2_domain 'cell free synthesis' . . . . P061225-65 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 $BMX_SH2_domain 1.13 mM '[U-13C; U-15N]' Tris-Cl 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 '% (w/v)' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9810 loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 water C 13 protons ppm 4.792 internal indirect . . . 0.251449530 water H 1 protons ppm 4.792 internal direct . . . 1.0 water N 15 protons ppm 4.792 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BMX SH2 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 3 3 SER HA H 4.517 0.030 1 2 3 3 SER HB2 H 3.928 0.030 1 3 3 3 SER HB3 H 3.928 0.030 1 4 3 3 SER C C 175.171 0.300 1 5 3 3 SER CA C 58.802 0.300 1 6 3 3 SER CB C 63.595 0.300 1 7 4 4 GLY H H 8.523 0.030 1 8 4 4 GLY HA2 H 4.101 0.030 2 9 4 4 GLY HA3 H 4.028 0.030 2 10 4 4 GLY C C 174.455 0.300 1 11 4 4 GLY CA C 45.510 0.300 1 12 4 4 GLY N N 111.084 0.300 1 13 5 5 SER H H 8.366 0.030 1 14 5 5 SER HA H 4.569 0.030 1 15 5 5 SER HB2 H 3.937 0.030 2 16 5 5 SER HB3 H 3.878 0.030 2 17 5 5 SER C C 175.025 0.300 1 18 5 5 SER CA C 58.302 0.300 1 19 5 5 SER CB C 63.927 0.300 1 20 5 5 SER N N 115.928 0.300 1 21 6 6 SER H H 8.610 0.030 1 22 6 6 SER HA H 4.460 0.030 1 23 6 6 SER HB2 H 3.973 0.030 2 24 6 6 SER HB3 H 3.901 0.030 2 25 6 6 SER C C 175.207 0.300 1 26 6 6 SER CA C 59.059 0.300 1 27 6 6 SER CB C 64.010 0.300 1 28 6 6 SER N N 118.186 0.300 1 29 7 7 GLY H H 8.432 0.030 1 30 7 7 GLY HA2 H 4.027 0.030 2 31 7 7 GLY HA3 H 3.953 0.030 2 32 7 7 GLY C C 175.256 0.300 1 33 7 7 GLY CA C 45.655 0.300 1 34 7 7 GLY N N 110.541 0.300 1 35 8 8 LEU H H 8.107 0.030 1 36 8 8 LEU HA H 4.209 0.030 1 37 8 8 LEU HB2 H 0.420 0.030 2 38 8 8 LEU HB3 H 0.615 0.030 2 39 8 8 LEU HD1 H 0.672 0.030 2 40 8 8 LEU HD2 H 0.336 0.030 2 41 8 8 LEU HG H 1.294 0.030 1 42 8 8 LEU C C 176.239 0.300 1 43 8 8 LEU CA C 55.479 0.300 1 44 8 8 LEU CB C 40.281 0.300 1 45 8 8 LEU CD1 C 22.954 0.300 2 46 8 8 LEU CD2 C 26.170 0.300 2 47 8 8 LEU CG C 26.251 0.300 1 48 8 8 LEU N N 120.168 0.300 1 49 9 9 ASP H H 7.766 0.030 1 50 9 9 ASP HA H 4.391 0.030 1 51 9 9 ASP HB2 H 2.559 0.030 2 52 9 9 ASP HB3 H 2.699 0.030 2 53 9 9 ASP C C 176.288 0.300 1 54 9 9 ASP CA C 56.467 0.300 1 55 9 9 ASP CB C 40.692 0.300 1 56 9 9 ASP N N 113.397 0.300 1 57 10 10 ASP H H 7.733 0.030 1 58 10 10 ASP HA H 4.375 0.030 1 59 10 10 ASP HB2 H 2.059 0.030 2 60 10 10 ASP HB3 H 2.335 0.030 2 61 10 10 ASP C C 175.960 0.300 1 62 10 10 ASP CA C 54.887 0.300 1 63 10 10 ASP CB C 40.488 0.300 1 64 10 10 ASP N N 115.821 0.300 1 65 11 11 TYR H H 7.402 0.030 1 66 11 11 TYR HA H 4.194 0.030 1 67 11 11 TYR HB2 H 1.435 0.030 1 68 11 11 TYR HB3 H 0.658 0.030 1 69 11 11 TYR HD1 H 6.942 0.030 1 70 11 11 TYR HD2 H 6.942 0.030 1 71 11 11 TYR HE1 H 6.809 0.030 1 72 11 11 TYR HE2 H 6.809 0.030 1 73 11 11 TYR C C 177.198 0.300 1 74 11 11 TYR CA C 58.150 0.300 1 75 11 11 TYR CB C 37.769 0.300 1 76 11 11 TYR CD1 C 133.208 0.300 1 77 11 11 TYR CD2 C 133.208 0.300 1 78 11 11 TYR CE1 C 117.576 0.300 1 79 11 11 TYR CE2 C 117.576 0.300 1 80 11 11 TYR N N 118.510 0.300 1 81 12 12 ASP H H 8.701 0.030 1 82 12 12 ASP HA H 4.159 0.030 1 83 12 12 ASP HB2 H 2.680 0.030 1 84 12 12 ASP HB3 H 2.680 0.030 1 85 12 12 ASP C C 175.826 0.300 1 86 12 12 ASP CA C 55.770 0.300 1 87 12 12 ASP CB C 39.334 0.300 1 88 12 12 ASP N N 123.187 0.300 1 89 13 13 TRP H H 6.540 0.030 1 90 13 13 TRP HA H 4.483 0.030 1 91 13 13 TRP HB2 H 3.510 0.030 1 92 13 13 TRP HB3 H 2.516 0.030 1 93 13 13 TRP HD1 H 7.484 0.030 1 94 13 13 TRP HE1 H 10.937 0.030 1 95 13 13 TRP HE3 H 7.315 0.030 1 96 13 13 TRP HH2 H 6.182 0.030 1 97 13 13 TRP HZ2 H 6.470 0.030 1 98 13 13 TRP HZ3 H 6.636 0.030 1 99 13 13 TRP C C 175.280 0.300 1 100 13 13 TRP CA C 53.032 0.300 1 101 13 13 TRP CB C 31.972 0.300 1 102 13 13 TRP CD1 C 130.386 0.300 1 103 13 13 TRP CE3 C 121.494 0.300 1 104 13 13 TRP CH2 C 123.319 0.300 1 105 13 13 TRP CZ2 C 115.209 0.300 1 106 13 13 TRP CZ3 C 119.641 0.300 1 107 13 13 TRP N N 111.105 0.300 1 108 13 13 TRP NE1 N 133.469 0.300 1 109 14 14 PHE H H 7.600 0.030 1 110 14 14 PHE HA H 5.281 0.030 1 111 14 14 PHE HB2 H 2.719 0.030 2 112 14 14 PHE HB3 H 3.152 0.030 2 113 14 14 PHE HD1 H 7.201 0.030 1 114 14 14 PHE HD2 H 7.201 0.030 1 115 14 14 PHE HE1 H 7.414 0.030 1 116 14 14 PHE HE2 H 7.414 0.030 1 117 14 14 PHE HZ H 7.656 0.030 1 118 14 14 PHE C C 173.994 0.300 1 119 14 14 PHE CA C 58.327 0.300 1 120 14 14 PHE CB C 39.087 0.300 1 121 14 14 PHE CD1 C 132.683 0.300 1 122 14 14 PHE CD2 C 132.683 0.300 1 123 14 14 PHE CE1 C 131.471 0.300 1 124 14 14 PHE CE2 C 131.471 0.300 1 125 14 14 PHE CZ C 129.996 0.300 1 126 14 14 PHE N N 121.495 0.300 1 127 15 15 ALA H H 8.929 0.030 1 128 15 15 ALA HA H 4.414 0.030 1 129 15 15 ALA HB H 1.383 0.030 1 130 15 15 ALA C C 177.453 0.300 1 131 15 15 ALA CA C 51.154 0.300 1 132 15 15 ALA CB C 22.147 0.300 1 133 15 15 ALA N N 130.542 0.300 1 134 16 16 GLY HA2 H 3.308 0.030 2 135 16 16 GLY HA3 H 3.680 0.030 2 136 16 16 GLY C C 174.370 0.300 1 137 16 16 GLY CA C 47.285 0.300 1 138 17 17 ASN H H 8.651 0.030 1 139 17 17 ASN HA H 4.889 0.030 1 140 17 17 ASN HB2 H 2.651 0.030 2 141 17 17 ASN HB3 H 2.942 0.030 2 142 17 17 ASN HD21 H 7.577 0.030 2 143 17 17 ASN HD22 H 6.852 0.030 2 144 17 17 ASN C C 174.637 0.300 1 145 17 17 ASN CA C 52.864 0.300 1 146 17 17 ASN CB C 37.398 0.300 1 147 17 17 ASN N N 123.825 0.300 1 148 17 17 ASN ND2 N 111.821 0.300 1 149 18 18 ILE H H 7.210 0.030 1 150 18 18 ILE HA H 4.445 0.030 1 151 18 18 ILE HB H 1.789 0.030 1 152 18 18 ILE HD1 H 0.686 0.030 1 153 18 18 ILE HG12 H 1.072 0.030 2 154 18 18 ILE HG13 H 1.336 0.030 2 155 18 18 ILE HG2 H 0.839 0.030 1 156 18 18 ILE C C 175.001 0.300 1 157 18 18 ILE CA C 60.036 0.300 1 158 18 18 ILE CB C 39.870 0.300 1 159 18 18 ILE CD1 C 13.630 0.300 1 160 18 18 ILE CG1 C 26.812 0.300 1 161 18 18 ILE CG2 C 17.667 0.300 1 162 18 18 ILE N N 119.101 0.300 1 163 19 19 SER H H 8.654 0.030 1 164 19 19 SER HA H 4.411 0.030 1 165 19 19 SER HB2 H 4.001 0.030 2 166 19 19 SER HB3 H 4.356 0.030 2 167 19 19 SER C C 174.758 0.300 1 168 19 19 SER CA C 57.367 0.300 1 169 19 19 SER CB C 65.666 0.300 1 170 19 19 SER N N 120.733 0.300 1 171 20 20 ARG H H 8.963 0.030 1 172 20 20 ARG HA H 3.597 0.030 1 173 20 20 ARG HB2 H 1.723 0.030 2 174 20 20 ARG HB3 H 1.800 0.030 2 175 20 20 ARG HD2 H 2.942 0.030 1 176 20 20 ARG HD3 H 2.942 0.030 1 177 20 20 ARG HG2 H 0.774 0.030 2 178 20 20 ARG HG3 H 1.218 0.030 2 179 20 20 ARG C C 179.213 0.300 1 180 20 20 ARG CA C 60.324 0.300 1 181 20 20 ARG CB C 29.818 0.300 1 182 20 20 ARG CD C 43.371 0.300 1 183 20 20 ARG CG C 27.262 0.300 1 184 20 20 ARG N N 122.138 0.300 1 185 21 21 SER H H 8.747 0.030 1 186 21 21 SER HA H 4.160 0.030 1 187 21 21 SER HB2 H 3.856 0.030 2 188 21 21 SER HB3 H 4.153 0.030 2 189 21 21 SER C C 177.477 0.300 1 190 21 21 SER CA C 61.769 0.300 1 191 21 21 SER CB C 62.215 0.300 1 192 21 21 SER N N 114.245 0.300 1 193 22 22 GLN H H 7.956 0.030 1 194 22 22 GLN HA H 4.104 0.030 1 195 22 22 GLN HB2 H 1.943 0.030 2 196 22 22 GLN HB3 H 2.203 0.030 2 197 22 22 GLN HE21 H 6.882 0.030 2 198 22 22 GLN HE22 H 7.381 0.030 2 199 22 22 GLN HG2 H 2.366 0.030 1 200 22 22 GLN HG3 H 2.366 0.030 1 201 22 22 GLN C C 178.473 0.300 1 202 22 22 GLN CA C 58.793 0.300 1 203 22 22 GLN CB C 28.542 0.300 1 204 22 22 GLN CG C 34.062 0.300 1 205 22 22 GLN N N 123.257 0.300 1 206 22 22 GLN NE2 N 111.447 0.300 1 207 23 23 SER H H 8.557 0.030 1 208 23 23 SER HA H 3.794 0.030 1 209 23 23 SER HB2 H 3.955 0.030 1 210 23 23 SER HB3 H 3.955 0.030 1 211 23 23 SER HG H 4.372 0.030 1 212 23 23 SER C C 175.912 0.300 1 213 23 23 SER CA C 62.285 0.300 1 214 23 23 SER CB C 63.474 0.300 1 215 23 23 SER N N 115.946 0.300 1 216 24 24 GLU H H 7.925 0.030 1 217 24 24 GLU HA H 3.963 0.030 1 218 24 24 GLU HB2 H 2.132 0.030 2 219 24 24 GLU HB3 H 2.275 0.030 2 220 24 24 GLU HG2 H 2.216 0.030 2 221 24 24 GLU HG3 H 2.949 0.030 2 222 24 24 GLU C C 178.000 0.300 1 223 24 24 GLU CA C 60.230 0.300 1 224 24 24 GLU CB C 28.583 0.300 1 225 24 24 GLU CG C 37.110 0.300 1 226 24 24 GLU N N 118.975 0.300 1 227 25 25 GLN H H 7.788 0.030 1 228 25 25 GLN HA H 3.988 0.030 1 229 25 25 GLN HB2 H 2.130 0.030 1 230 25 25 GLN HB3 H 2.130 0.030 1 231 25 25 GLN HE21 H 7.368 0.030 2 232 25 25 GLN HE22 H 6.778 0.030 2 233 25 25 GLN HG2 H 2.329 0.030 2 234 25 25 GLN HG3 H 2.432 0.030 2 235 25 25 GLN C C 178.861 0.300 1 236 25 25 GLN CA C 59.186 0.300 1 237 25 25 GLN CB C 28.336 0.300 1 238 25 25 GLN CG C 33.402 0.300 1 239 25 25 GLN N N 118.266 0.300 1 240 25 25 GLN NE2 N 111.555 0.300 1 241 26 26 LEU H H 8.143 0.030 1 242 26 26 LEU HA H 3.928 0.030 1 243 26 26 LEU HB2 H 1.685 0.030 1 244 26 26 LEU HB3 H 1.159 0.030 1 245 26 26 LEU HD1 H 0.758 0.030 2 246 26 26 LEU HD2 H 0.731 0.030 2 247 26 26 LEU HG H 1.716 0.030 1 248 26 26 LEU C C 180.463 0.300 1 249 26 26 LEU CA C 57.893 0.300 1 250 26 26 LEU CB C 42.548 0.300 1 251 26 26 LEU CD1 C 22.857 0.300 2 252 26 26 LEU CD2 C 25.329 0.300 2 253 26 26 LEU CG C 27.223 0.300 1 254 26 26 LEU N N 118.949 0.300 1 255 27 27 LEU H H 8.167 0.030 1 256 27 27 LEU HA H 3.848 0.030 1 257 27 27 LEU HB2 H 1.155 0.030 1 258 27 27 LEU HB3 H 1.965 0.030 1 259 27 27 LEU HD1 H 0.676 0.030 2 260 27 27 LEU HD2 H 0.655 0.030 2 261 27 27 LEU HG H 1.785 0.030 1 262 27 27 LEU C C 178.521 0.300 1 263 27 27 LEU CA C 58.053 0.300 1 264 27 27 LEU CB C 42.364 0.300 1 265 27 27 LEU CD1 C 27.094 0.300 2 266 27 27 LEU CD2 C 22.954 0.300 2 267 27 27 LEU CG C 27.141 0.300 1 268 27 27 LEU N N 118.811 0.300 1 269 28 28 ARG H H 8.276 0.030 1 270 28 28 ARG HA H 3.380 0.030 1 271 28 28 ARG HB2 H 1.719 0.030 2 272 28 28 ARG HB3 H 1.799 0.030 2 273 28 28 ARG HD2 H 3.164 0.030 2 274 28 28 ARG HD3 H 3.272 0.030 2 275 28 28 ARG HG2 H 1.558 0.030 2 276 28 28 ARG HG3 H 1.842 0.030 2 277 28 28 ARG C C 178.606 0.300 1 278 28 28 ARG CA C 59.754 0.300 1 279 28 28 ARG CB C 29.828 0.300 1 280 28 28 ARG CD C 43.454 0.300 1 281 28 28 ARG CG C 29.362 0.300 1 282 28 28 ARG N N 118.275 0.300 1 283 29 29 GLN H H 7.793 0.030 1 284 29 29 GLN HA H 3.856 0.030 1 285 29 29 GLN HB2 H 2.019 0.030 2 286 29 29 GLN HB3 H 2.111 0.030 2 287 29 29 GLN HE21 H 7.429 0.030 2 288 29 29 GLN HE22 H 6.816 0.030 2 289 29 29 GLN HG2 H 2.320 0.030 2 290 29 29 GLN HG3 H 2.425 0.030 2 291 29 29 GLN C C 177.720 0.300 1 292 29 29 GLN CA C 58.380 0.300 1 293 29 29 GLN CB C 28.212 0.300 1 294 29 29 GLN CG C 34.226 0.300 1 295 29 29 GLN N N 117.638 0.300 1 296 29 29 GLN NE2 N 111.313 0.300 1 297 30 30 LYS H H 7.177 0.030 1 298 30 30 LYS HA H 4.093 0.030 1 299 30 30 LYS HB2 H 1.799 0.030 2 300 30 30 LYS HB3 H 1.881 0.030 2 301 30 30 LYS HD2 H 1.628 0.030 2 302 30 30 LYS HD3 H 1.735 0.030 2 303 30 30 LYS HE2 H 2.634 0.030 2 304 30 30 LYS HE3 H 2.837 0.030 2 305 30 30 LYS HG2 H 1.056 0.030 2 306 30 30 LYS HG3 H 1.346 0.030 2 307 30 30 LYS C C 179.250 0.300 1 308 30 30 LYS CA C 57.157 0.300 1 309 30 30 LYS CB C 30.972 0.300 1 310 30 30 LYS CD C 27.699 0.300 1 311 30 30 LYS CE C 41.971 0.300 1 312 30 30 LYS CG C 24.505 0.300 1 313 30 30 LYS N N 118.676 0.300 1 314 31 31 GLY H H 7.640 0.030 1 315 31 31 GLY HA2 H 2.677 0.030 2 316 31 31 GLY HA3 H 3.386 0.030 2 317 31 31 GLY C C 173.192 0.300 1 318 31 31 GLY CA C 47.201 0.300 1 319 31 31 GLY N N 102.019 0.300 1 320 32 32 LYS H H 6.140 0.030 1 321 32 32 LYS HA H 4.634 0.030 1 322 32 32 LYS HB2 H 1.054 0.030 2 323 32 32 LYS HB3 H 1.655 0.030 2 324 32 32 LYS HD2 H 1.069 0.030 2 325 32 32 LYS HD3 H 1.199 0.030 2 326 32 32 LYS HE2 H 2.742 0.030 1 327 32 32 LYS HE3 H 2.742 0.030 1 328 32 32 LYS HG2 H 1.140 0.030 2 329 32 32 LYS HG3 H 1.202 0.030 2 330 32 32 LYS C C 174.880 0.300 1 331 32 32 LYS CA C 53.539 0.300 1 332 32 32 LYS CB C 36.368 0.300 1 333 32 32 LYS CD C 28.690 0.300 1 334 32 32 LYS CE C 41.888 0.300 1 335 32 32 LYS CG C 24.340 0.300 1 336 32 32 LYS N N 115.439 0.300 1 337 33 33 GLU H H 8.943 0.030 1 338 33 33 GLU HA H 4.227 0.030 1 339 33 33 GLU HB2 H 1.943 0.030 2 340 33 33 GLU HB3 H 2.327 0.030 2 341 33 33 GLU HG2 H 2.447 0.030 2 342 33 33 GLU HG3 H 2.250 0.030 2 343 33 33 GLU C C 177.465 0.300 1 344 33 33 GLU CA C 57.772 0.300 1 345 33 33 GLU CB C 29.530 0.300 1 346 33 33 GLU CG C 35.063 0.300 1 347 33 33 GLU N N 124.680 0.300 1 348 34 34 GLY H H 9.182 0.030 1 349 34 34 GLY HA2 H 3.786 0.030 1 350 34 34 GLY HA3 H 4.404 0.030 1 351 34 34 GLY C C 176.179 0.300 1 352 34 34 GLY CA C 46.385 0.300 1 353 34 34 GLY N N 113.685 0.300 1 354 35 35 ALA H H 8.503 0.030 1 355 35 35 ALA HA H 5.715 0.030 1 356 35 35 ALA HB H 1.534 0.030 1 357 35 35 ALA C C 176.227 0.300 1 358 35 35 ALA CA C 52.107 0.300 1 359 35 35 ALA CB C 18.518 0.300 1 360 35 35 ALA N N 126.123 0.300 1 361 36 36 PHE H H 8.912 0.030 1 362 36 36 PHE HA H 5.973 0.030 1 363 36 36 PHE HB2 H 2.980 0.030 1 364 36 36 PHE HB3 H 2.832 0.030 1 365 36 36 PHE HD1 H 6.659 0.030 3 366 36 36 PHE HD2 H 7.465 0.030 3 367 36 36 PHE HE1 H 6.521 0.030 3 368 36 36 PHE HE2 H 7.646 0.030 3 369 36 36 PHE HZ H 6.830 0.030 1 370 36 36 PHE C C 170.595 0.300 1 371 36 36 PHE CA C 56.364 0.300 1 372 36 36 PHE CB C 44.267 0.300 1 373 36 36 PHE CZ C 128.829 0.300 1 374 36 36 PHE N N 119.967 0.300 1 375 37 37 MET H H 8.865 0.030 1 376 37 37 MET HA H 5.126 0.030 1 377 37 37 MET HB2 H 1.955 0.030 1 378 37 37 MET HB3 H 2.963 0.030 1 379 37 37 MET HE H 1.887 0.030 1 380 37 37 MET HG2 H 2.141 0.030 2 381 37 37 MET HG3 H 2.503 0.030 2 382 37 37 MET C C 174.345 0.300 1 383 37 37 MET CA C 54.504 0.300 1 384 37 37 MET CB C 36.492 0.300 1 385 37 37 MET CE C 16.112 0.300 1 386 37 37 MET CG C 29.613 0.300 1 387 37 37 MET N N 112.435 0.300 1 388 38 38 VAL H H 9.466 0.030 1 389 38 38 VAL HA H 5.256 0.030 1 390 38 38 VAL HB H 2.549 0.030 1 391 38 38 VAL HG1 H 1.206 0.030 1 392 38 38 VAL HG2 H 0.994 0.030 1 393 38 38 VAL C C 173.690 0.300 1 394 38 38 VAL CA C 61.434 0.300 1 395 38 38 VAL CB C 33.855 0.300 1 396 38 38 VAL CG1 C 21.704 0.300 1 397 38 38 VAL CG2 C 24.175 0.300 1 398 38 38 VAL N N 120.247 0.300 1 399 39 39 ARG H H 9.630 0.030 1 400 39 39 ARG HA H 5.248 0.030 1 401 39 39 ARG HB2 H 1.467 0.030 2 402 39 39 ARG HB3 H 2.275 0.030 2 403 39 39 ARG HD2 H 2.839 0.030 2 404 39 39 ARG HD3 H 3.224 0.030 2 405 39 39 ARG HE H 7.761 0.030 1 406 39 39 ARG HG2 H 1.508 0.030 1 407 39 39 ARG HG3 H 1.508 0.030 1 408 39 39 ARG C C 174.928 0.300 1 409 39 39 ARG CA C 53.005 0.300 1 410 39 39 ARG CB C 34.309 0.300 1 411 39 39 ARG CD C 44.113 0.300 1 412 39 39 ARG CG C 26.779 0.300 1 413 39 39 ARG N N 123.466 0.300 1 414 39 39 ARG NE N 85.866 0.300 1 415 40 40 ASN H H 8.488 0.030 1 416 40 40 ASN HA H 4.713 0.030 1 417 40 40 ASN HB2 H 2.605 0.030 2 418 40 40 ASN HB3 H 2.946 0.030 2 419 40 40 ASN HD21 H 6.901 0.030 2 420 40 40 ASN HD22 H 7.492 0.030 2 421 40 40 ASN C C 175.523 0.300 1 422 40 40 ASN CA C 54.825 0.300 1 423 40 40 ASN CB C 39.252 0.300 1 424 40 40 ASN N N 119.816 0.300 1 425 40 40 ASN ND2 N 109.400 0.300 1 426 41 41 SER H H 8.156 0.030 1 427 41 41 SER HA H 4.601 0.030 1 428 41 41 SER HB2 H 3.773 0.030 1 429 41 41 SER HB3 H 3.773 0.030 1 430 41 41 SER C C 174.345 0.300 1 431 41 41 SER CA C 56.962 0.300 1 432 41 41 SER CB C 63.556 0.300 1 433 41 41 SER N N 116.986 0.300 1 434 42 42 SER HA H 4.216 0.030 1 435 42 42 SER HB2 H 3.930 0.030 2 436 42 42 SER HB3 H 3.872 0.030 2 437 42 42 SER C C 174.928 0.300 1 438 42 42 SER CA C 60.366 0.300 1 439 42 42 SER CB C 62.979 0.300 1 440 43 43 GLN H H 7.980 0.030 1 441 43 43 GLN HA H 4.374 0.030 1 442 43 43 GLN HB2 H 1.874 0.030 2 443 43 43 GLN HB3 H 1.916 0.030 2 444 43 43 GLN HE21 H 7.483 0.030 2 445 43 43 GLN HE22 H 6.791 0.030 2 446 43 43 GLN HG2 H 2.263 0.030 1 447 43 43 GLN HG3 H 2.263 0.030 1 448 43 43 GLN C C 175.111 0.300 1 449 43 43 GLN CA C 55.100 0.300 1 450 43 43 GLN CB C 29.324 0.300 1 451 43 43 GLN CG C 33.732 0.300 1 452 43 43 GLN N N 121.344 0.300 1 453 43 43 GLN NE2 N 112.308 0.300 1 454 44 44 VAL H H 8.138 0.030 1 455 44 44 VAL HA H 3.794 0.030 1 456 44 44 VAL HB H 1.973 0.030 1 457 44 44 VAL HG1 H 0.918 0.030 2 458 44 44 VAL HG2 H 1.010 0.030 2 459 44 44 VAL C C 177.150 0.300 1 460 44 44 VAL CA C 64.092 0.300 1 461 44 44 VAL CB C 31.805 0.300 1 462 44 44 VAL CG1 C 20.717 0.300 2 463 44 44 VAL CG2 C 21.500 0.300 2 464 44 44 VAL N N 123.591 0.300 1 465 45 45 GLY H H 8.424 0.030 1 466 45 45 GLY HA2 H 3.656 0.030 2 467 45 45 GLY HA3 H 4.119 0.030 2 468 45 45 GLY C C 173.204 0.300 1 469 45 45 GLY CA C 45.201 0.300 1 470 45 45 GLY N N 113.611 0.300 1 471 46 46 MET H H 7.484 0.030 1 472 46 46 MET HA H 4.806 0.030 1 473 46 46 MET HB2 H 1.882 0.030 2 474 46 46 MET HB3 H 2.079 0.030 2 475 46 46 MET HE H 2.008 0.030 1 476 46 46 MET HG2 H 2.366 0.030 2 477 46 46 MET HG3 H 2.447 0.030 2 478 46 46 MET C C 175.693 0.300 1 479 46 46 MET CA C 54.011 0.300 1 480 46 46 MET CB C 34.226 0.300 1 481 46 46 MET CE C 17.609 0.300 1 482 46 46 MET CG C 32.496 0.300 1 483 46 46 MET N N 117.504 0.300 1 484 47 47 TYR H H 9.243 0.030 1 485 47 47 TYR HA H 5.192 0.030 1 486 47 47 TYR HB2 H 2.509 0.030 2 487 47 47 TYR HB3 H 3.018 0.030 2 488 47 47 TYR HD1 H 7.044 0.030 1 489 47 47 TYR HD2 H 7.044 0.030 1 490 47 47 TYR HE1 H 6.838 0.030 1 491 47 47 TYR HE2 H 6.838 0.030 1 492 47 47 TYR C C 174.054 0.300 1 493 47 47 TYR CA C 58.628 0.300 1 494 47 47 TYR CB C 42.342 0.300 1 495 47 47 TYR CD1 C 132.851 0.300 1 496 47 47 TYR CD2 C 132.851 0.300 1 497 47 47 TYR CE1 C 118.290 0.300 1 498 47 47 TYR CE2 C 118.290 0.300 1 499 47 47 TYR N N 121.921 0.300 1 500 48 48 THR H H 9.229 0.030 1 501 48 48 THR HA H 4.978 0.030 1 502 48 48 THR HB H 3.577 0.030 1 503 48 48 THR HG2 H 1.148 0.030 1 504 48 48 THR C C 173.132 0.300 1 505 48 48 THR CA C 61.861 0.300 1 506 48 48 THR CB C 73.236 0.300 1 507 48 48 THR CG2 C 22.225 0.300 1 508 48 48 THR N N 117.792 0.300 1 509 49 49 VAL H H 9.492 0.030 1 510 49 49 VAL HA H 5.073 0.030 1 511 49 49 VAL HB H 2.084 0.030 1 512 49 49 VAL HG1 H 0.840 0.030 1 513 49 49 VAL HG2 H 0.875 0.030 1 514 49 49 VAL C C 174.613 0.300 1 515 49 49 VAL CA C 61.344 0.300 1 516 49 49 VAL CB C 32.958 0.300 1 517 49 49 VAL CG1 C 20.481 0.300 1 518 49 49 VAL CG2 C 22.669 0.300 1 519 49 49 VAL N N 126.777 0.300 1 520 50 50 SER H H 8.963 0.030 1 521 50 50 SER HA H 5.574 0.030 1 522 50 50 SER HB2 H 3.345 0.030 1 523 50 50 SER HB3 H 3.623 0.030 1 524 50 50 SER HG H 8.434 0.030 1 525 50 50 SER C C 172.403 0.300 1 526 50 50 SER CA C 58.334 0.300 1 527 50 50 SER CB C 65.133 0.300 1 528 50 50 SER N N 126.433 0.300 1 529 51 51 LEU H H 9.204 0.030 1 530 51 51 LEU HA H 5.595 0.030 1 531 51 51 LEU HB2 H 1.500 0.030 2 532 51 51 LEU HB3 H 1.761 0.030 2 533 51 51 LEU HD1 H 0.882 0.030 1 534 51 51 LEU HD2 H 0.783 0.030 1 535 51 51 LEU HG H 1.660 0.030 1 536 51 51 LEU C C 174.164 0.300 1 537 51 51 LEU CA C 53.765 0.300 1 538 51 51 LEU CB C 47.532 0.300 1 539 51 51 LEU CD1 C 24.752 0.300 1 540 51 51 LEU CD2 C 27.883 0.300 1 541 51 51 LEU CG C 26.647 0.300 1 542 51 51 LEU N N 123.757 0.300 1 543 52 52 PHE H H 9.283 0.030 1 544 52 52 PHE HA H 5.198 0.030 1 545 52 52 PHE HB2 H 2.678 0.030 1 546 52 52 PHE HB3 H 3.349 0.030 1 547 52 52 PHE HD1 H 6.886 0.030 1 548 52 52 PHE HD2 H 6.886 0.030 1 549 52 52 PHE HE1 H 7.028 0.030 1 550 52 52 PHE HE2 H 7.028 0.030 1 551 52 52 PHE HZ H 7.303 0.030 1 552 52 52 PHE C C 173.350 0.300 1 553 52 52 PHE CA C 56.699 0.300 1 554 52 52 PHE CB C 42.465 0.300 1 555 52 52 PHE CD1 C 131.556 0.300 1 556 52 52 PHE CD2 C 131.556 0.300 1 557 52 52 PHE CE1 C 130.412 0.300 1 558 52 52 PHE CE2 C 130.412 0.300 1 559 52 52 PHE CZ C 130.139 0.300 1 560 52 52 PHE N N 125.481 0.300 1 561 53 53 SER H H 8.340 0.030 1 562 53 53 SER HA H 4.796 0.030 1 563 53 53 SER HB2 H 3.467 0.030 2 564 53 53 SER HB3 H 3.649 0.030 2 565 53 53 SER C C 172.500 0.300 1 566 53 53 SER CA C 56.086 0.300 1 567 53 53 SER CB C 65.286 0.300 1 568 53 53 SER N N 121.879 0.300 1 569 54 54 LYS H H 9.371 0.030 1 570 54 54 LYS HA H 4.388 0.030 1 571 54 54 LYS HB2 H 1.470 0.030 2 572 54 54 LYS HB3 H 1.823 0.030 2 573 54 54 LYS HD2 H 1.656 0.030 1 574 54 54 LYS HD3 H 1.656 0.030 1 575 54 54 LYS HE2 H 2.961 0.030 1 576 54 54 LYS HE3 H 2.961 0.030 1 577 54 54 LYS HG2 H 1.129 0.030 2 578 54 54 LYS HG3 H 1.342 0.030 2 579 54 54 LYS C C 174.953 0.300 1 580 54 54 LYS CA C 55.875 0.300 1 581 54 54 LYS CB C 34.309 0.300 1 582 54 54 LYS CD C 29.581 0.300 1 583 54 54 LYS CE C 42.135 0.300 1 584 54 54 LYS CG C 24.999 0.300 1 585 54 54 LYS N N 126.813 0.300 1 586 55 55 ALA H H 8.783 0.030 1 587 55 55 ALA HA H 4.435 0.030 1 588 55 55 ALA HB H 1.408 0.030 1 589 55 55 ALA C C 178.388 0.300 1 590 55 55 ALA CA C 51.746 0.300 1 591 55 55 ALA CB C 19.932 0.300 1 592 55 55 ALA N N 129.023 0.300 1 593 56 56 VAL H H 8.304 0.030 1 594 56 56 VAL HA H 3.876 0.030 1 595 56 56 VAL HB H 2.048 0.030 1 596 56 56 VAL HG1 H 0.937 0.030 2 597 56 56 VAL HG2 H 0.978 0.030 2 598 56 56 VAL C C 176.446 0.300 1 599 56 56 VAL CA C 64.535 0.300 1 600 56 56 VAL CB C 31.920 0.300 1 601 56 56 VAL CG1 C 20.695 0.300 2 602 56 56 VAL CG2 C 21.034 0.300 2 603 56 56 VAL N N 119.169 0.300 1 604 57 57 ASN H H 8.321 0.030 1 605 57 57 ASN HA H 4.651 0.030 1 606 57 57 ASN HB2 H 2.884 0.030 1 607 57 57 ASN HB3 H 2.884 0.030 1 608 57 57 ASN HD21 H 7.631 0.030 2 609 57 57 ASN HD22 H 6.905 0.030 2 610 57 57 ASN C C 174.686 0.300 1 611 57 57 ASN CA C 53.583 0.300 1 612 57 57 ASN CB C 38.075 0.300 1 613 57 57 ASN N N 116.595 0.300 1 614 57 57 ASN ND2 N 113.150 0.300 1 615 58 58 ASP H H 7.692 0.030 1 616 58 58 ASP HA H 4.703 0.030 1 617 58 58 ASP HB2 H 2.625 0.030 2 618 58 58 ASP HB3 H 2.791 0.030 2 619 58 58 ASP C C 176.166 0.300 1 620 58 58 ASP CA C 53.742 0.300 1 621 58 58 ASP CB C 41.765 0.300 1 622 58 58 ASP N N 119.937 0.300 1 623 59 59 LYS H H 8.566 0.030 1 624 59 59 LYS HA H 4.232 0.030 1 625 59 59 LYS HB2 H 1.924 0.030 2 626 59 59 LYS HB3 H 1.814 0.030 2 627 59 59 LYS HD2 H 1.683 0.030 1 628 59 59 LYS HD3 H 1.683 0.030 1 629 59 59 LYS HE2 H 3.026 0.030 1 630 59 59 LYS HE3 H 3.026 0.030 1 631 59 59 LYS HG2 H 1.461 0.030 2 632 59 59 LYS HG3 H 1.524 0.030 2 633 59 59 LYS C C 177.077 0.300 1 634 59 59 LYS CA C 57.551 0.300 1 635 59 59 LYS CB C 32.743 0.300 1 636 59 59 LYS CD C 28.871 0.300 1 637 59 59 LYS CE C 42.300 0.300 1 638 59 59 LYS CG C 25.164 0.300 1 639 59 59 LYS N N 121.417 0.300 1 640 60 60 LYS H H 8.077 0.030 1 641 60 60 LYS HA H 4.486 0.030 1 642 60 60 LYS HB2 H 1.842 0.030 2 643 60 60 LYS HB3 H 1.911 0.030 2 644 60 60 LYS HD2 H 1.717 0.030 1 645 60 60 LYS HD3 H 1.717 0.030 1 646 60 60 LYS HE2 H 3.009 0.030 1 647 60 60 LYS HE3 H 3.009 0.030 1 648 60 60 LYS HG2 H 1.459 0.030 1 649 60 60 LYS HG3 H 1.459 0.030 1 650 60 60 LYS C C 176.943 0.300 1 651 60 60 LYS CA C 56.138 0.300 1 652 60 60 LYS CB C 34.473 0.300 1 653 60 60 LYS CD C 29.201 0.300 1 654 60 60 LYS CE C 42.218 0.300 1 655 60 60 LYS CG C 24.587 0.300 1 656 60 60 LYS N N 117.749 0.300 1 657 61 61 GLY H H 8.503 0.030 1 658 61 61 GLY HA2 H 3.647 0.030 2 659 61 61 GLY HA3 H 3.897 0.030 2 660 61 61 GLY C C 172.816 0.300 1 661 61 61 GLY CA C 45.149 0.300 1 662 61 61 GLY N N 108.749 0.300 1 663 62 62 THR H H 8.244 0.030 1 664 62 62 THR HA H 4.485 0.030 1 665 62 62 THR HB H 3.879 0.030 1 666 62 62 THR HG1 H 3.465 0.030 1 667 62 62 THR HG2 H 1.047 0.030 1 668 62 62 THR C C 172.246 0.300 1 669 62 62 THR CA C 60.575 0.300 1 670 62 62 THR CB C 71.960 0.300 1 671 62 62 THR CG2 C 21.044 0.300 1 672 62 62 THR N N 114.799 0.300 1 673 63 63 VAL H H 8.220 0.030 1 674 63 63 VAL HA H 4.896 0.030 1 675 63 63 VAL HB H 1.820 0.030 1 676 63 63 VAL HG1 H 0.517 0.030 1 677 63 63 VAL HG2 H 1.116 0.030 1 678 63 63 VAL C C 174.952 0.300 1 679 63 63 VAL CA C 61.037 0.300 1 680 63 63 VAL CB C 32.558 0.300 1 681 63 63 VAL CG1 C 22.670 0.300 1 682 63 63 VAL CG2 C 23.101 0.300 1 683 63 63 VAL N N 122.653 0.300 1 684 64 64 LYS H H 8.919 0.030 1 685 64 64 LYS HA H 4.322 0.030 1 686 64 64 LYS HB2 H 1.371 0.030 2 687 64 64 LYS HB3 H 1.436 0.030 2 688 64 64 LYS HD2 H 1.545 0.030 2 689 64 64 LYS HD3 H 1.661 0.030 2 690 64 64 LYS HE2 H 2.841 0.030 1 691 64 64 LYS HE3 H 2.841 0.030 1 692 64 64 LYS HG2 H 1.194 0.030 2 693 64 64 LYS HG3 H 1.283 0.030 2 694 64 64 LYS C C 173.568 0.300 1 695 64 64 LYS CA C 54.202 0.300 1 696 64 64 LYS CB C 36.107 0.300 1 697 64 64 LYS CD C 28.954 0.300 1 698 64 64 LYS CE C 42.300 0.300 1 699 64 64 LYS CG C 25.411 0.300 1 700 64 64 LYS N N 127.971 0.300 1 701 65 65 HIS H H 8.105 0.030 1 702 65 65 HIS HA H 5.095 0.030 1 703 65 65 HIS HB2 H 2.443 0.030 2 704 65 65 HIS HB3 H 2.742 0.030 2 705 65 65 HIS HD2 H 6.992 0.030 1 706 65 65 HIS C C 174.904 0.300 1 707 65 65 HIS CA C 54.590 0.300 1 708 65 65 HIS CB C 32.579 0.300 1 709 65 65 HIS CD2 C 119.847 0.300 1 710 65 65 HIS N N 119.598 0.300 1 711 66 66 TYR H H 9.742 0.030 1 712 66 66 TYR HA H 4.692 0.030 1 713 66 66 TYR HB2 H 2.722 0.030 1 714 66 66 TYR HB3 H 3.176 0.030 1 715 66 66 TYR HD1 H 7.048 0.030 1 716 66 66 TYR HD2 H 7.048 0.030 1 717 66 66 TYR HE1 H 6.661 0.030 1 718 66 66 TYR HE2 H 6.661 0.030 1 719 66 66 TYR C C 174.782 0.300 1 720 66 66 TYR CA C 56.848 0.300 1 721 66 66 TYR CB C 40.817 0.300 1 722 66 66 TYR CD1 C 132.873 0.300 1 723 66 66 TYR CD2 C 132.873 0.300 1 724 66 66 TYR CE1 C 118.045 0.300 1 725 66 66 TYR CE2 C 118.045 0.300 1 726 66 66 TYR N N 124.006 0.300 1 727 67 67 HIS H H 8.723 0.030 1 728 67 67 HIS HA H 4.687 0.030 1 729 67 67 HIS HB2 H 2.706 0.030 1 730 67 67 HIS HB3 H 2.706 0.030 1 731 67 67 HIS HD2 H 6.691 0.030 1 732 67 67 HIS C C 174.710 0.300 1 733 67 67 HIS CA C 56.830 0.300 1 734 67 67 HIS CB C 30.931 0.300 1 735 67 67 HIS CD2 C 119.612 0.300 1 736 67 67 HIS N N 124.356 0.300 1 737 68 68 VAL H H 8.057 0.030 1 738 68 68 VAL HA H 3.871 0.030 1 739 68 68 VAL HB H 2.275 0.030 1 740 68 68 VAL HG1 H 0.796 0.030 2 741 68 68 VAL HG2 H 0.733 0.030 2 742 68 68 VAL C C 175.705 0.300 1 743 68 68 VAL CA C 62.827 0.300 1 744 68 68 VAL CB C 30.107 0.300 1 745 68 68 VAL CG1 C 23.104 0.300 2 746 68 68 VAL CG2 C 21.292 0.300 2 747 68 68 VAL N N 122.716 0.300 1 748 69 69 HIS H H 8.312 0.030 1 749 69 69 HIS HA H 4.497 0.030 1 750 69 69 HIS HB2 H 1.283 0.030 1 751 69 69 HIS HB3 H 2.574 0.030 1 752 69 69 HIS HD2 H 6.938 0.030 1 753 69 69 HIS C C 173.678 0.300 1 754 69 69 HIS CA C 55.632 0.300 1 755 69 69 HIS CB C 31.549 0.300 1 756 69 69 HIS CD2 C 121.140 0.300 1 757 69 69 HIS N N 129.064 0.300 1 758 70 70 THR H H 8.142 0.030 1 759 70 70 THR HA H 5.491 0.030 1 760 70 70 THR HB H 4.038 0.030 1 761 70 70 THR HG2 H 1.303 0.030 1 762 70 70 THR C C 175.632 0.300 1 763 70 70 THR CA C 60.479 0.300 1 764 70 70 THR CB C 71.034 0.300 1 765 70 70 THR CG2 C 21.456 0.300 1 766 70 70 THR N N 111.611 0.300 1 767 71 71 ASN H H 9.215 0.030 1 768 71 71 ASN HA H 5.192 0.030 1 769 71 71 ASN HB2 H 2.870 0.030 2 770 71 71 ASN HB3 H 3.711 0.030 2 771 71 71 ASN HD21 H 7.670 0.030 2 772 71 71 ASN HD22 H 6.923 0.030 2 773 71 71 ASN C C 177.575 0.300 1 774 71 71 ASN CA C 50.556 0.300 1 775 71 71 ASN CB C 39.417 0.300 1 776 71 71 ASN N N 124.319 0.300 1 777 71 71 ASN ND2 N 112.957 0.300 1 778 72 72 ALA H H 8.463 0.030 1 779 72 72 ALA HA H 4.213 0.030 1 780 72 72 ALA HB H 1.468 0.030 1 781 72 72 ALA C C 178.388 0.300 1 782 72 72 ALA CA C 54.677 0.300 1 783 72 72 ALA CB C 18.490 0.300 1 784 72 72 ALA N N 120.543 0.300 1 785 73 73 GLU H H 7.467 0.030 1 786 73 73 GLU HA H 4.395 0.030 1 787 73 73 GLU HB2 H 1.882 0.030 2 788 73 73 GLU HB3 H 2.254 0.030 2 789 73 73 GLU HG2 H 2.142 0.030 2 790 73 73 GLU HG3 H 2.211 0.030 2 791 73 73 GLU C C 175.280 0.300 1 792 73 73 GLU CA C 55.697 0.300 1 793 73 73 GLU CB C 29.489 0.300 1 794 73 73 GLU CG C 36.927 0.300 1 795 73 73 GLU N N 115.970 0.300 1 796 74 74 ASN H H 8.323 0.030 1 797 74 74 ASN HA H 4.313 0.030 1 798 74 74 ASN HB2 H 2.980 0.030 2 799 74 74 ASN HB3 H 3.163 0.030 2 800 74 74 ASN HD21 H 7.556 0.030 2 801 74 74 ASN HD22 H 6.865 0.030 2 802 74 74 ASN C C 174.637 0.300 1 803 74 74 ASN CA C 54.900 0.300 1 804 74 74 ASN CB C 37.166 0.300 1 805 74 74 ASN N N 113.284 0.300 1 806 74 74 ASN ND2 N 112.832 0.300 1 807 75 75 LYS H H 7.954 0.030 1 808 75 75 LYS HA H 4.597 0.030 1 809 75 75 LYS HB2 H 1.627 0.030 1 810 75 75 LYS HB3 H 1.627 0.030 1 811 75 75 LYS HD2 H 1.409 0.030 2 812 75 75 LYS HD3 H 1.437 0.030 2 813 75 75 LYS HE2 H 2.861 0.030 1 814 75 75 LYS HE3 H 2.861 0.030 1 815 75 75 LYS HG2 H 1.200 0.030 2 816 75 75 LYS HG3 H 1.401 0.030 2 817 75 75 LYS C C 174.819 0.300 1 818 75 75 LYS CA C 54.782 0.300 1 819 75 75 LYS CB C 33.815 0.300 1 820 75 75 LYS CD C 28.624 0.300 1 821 75 75 LYS CE C 42.432 0.300 1 822 75 75 LYS CG C 25.430 0.300 1 823 75 75 LYS N N 117.040 0.300 1 824 76 76 LEU H H 9.075 0.030 1 825 76 76 LEU HA H 5.612 0.030 1 826 76 76 LEU HB2 H 1.478 0.030 1 827 76 76 LEU HB3 H 1.326 0.030 1 828 76 76 LEU HD1 H 0.784 0.030 1 829 76 76 LEU HD2 H 0.844 0.030 1 830 76 76 LEU HG H 1.668 0.030 1 831 76 76 LEU C C 177.514 0.300 1 832 76 76 LEU CA C 53.821 0.300 1 833 76 76 LEU CB C 44.854 0.300 1 834 76 76 LEU CD1 C 25.932 0.300 1 835 76 76 LEU CD2 C 24.340 0.300 1 836 76 76 LEU CG C 27.553 0.300 1 837 76 76 LEU N N 120.984 0.300 1 838 77 77 TYR H H 8.859 0.030 1 839 77 77 TYR HA H 5.308 0.030 1 840 77 77 TYR HB2 H 3.185 0.030 1 841 77 77 TYR HB3 H 3.042 0.030 1 842 77 77 TYR HD1 H 6.556 0.030 1 843 77 77 TYR HD2 H 6.556 0.030 1 844 77 77 TYR HE1 H 6.454 0.030 1 845 77 77 TYR HE2 H 6.454 0.030 1 846 77 77 TYR C C 173.022 0.300 1 847 77 77 TYR CA C 57.631 0.300 1 848 77 77 TYR CB C 41.723 0.300 1 849 77 77 TYR CD1 C 133.999 0.300 1 850 77 77 TYR CD2 C 133.999 0.300 1 851 77 77 TYR CE1 C 117.677 0.300 1 852 77 77 TYR CE2 C 117.677 0.300 1 853 77 77 TYR N N 115.451 0.300 1 854 78 78 LEU H H 10.282 0.030 1 855 78 78 LEU HA H 4.654 0.030 1 856 78 78 LEU HB2 H 1.492 0.030 1 857 78 78 LEU HB3 H 1.135 0.030 1 858 78 78 LEU HD1 H 0.134 0.030 1 859 78 78 LEU HD2 H 0.648 0.030 1 860 78 78 LEU HG H 1.478 0.030 1 861 78 78 LEU C C 177.271 0.300 1 862 78 78 LEU CA C 55.582 0.300 1 863 78 78 LEU CB C 44.236 0.300 1 864 78 78 LEU CD1 C 24.010 0.300 1 865 78 78 LEU CD2 C 24.049 0.300 1 866 78 78 LEU CG C 26.760 0.300 1 867 78 78 LEU N N 119.660 0.300 1 868 79 79 ALA H H 9.515 0.030 1 869 79 79 ALA HA H 4.827 0.030 1 870 79 79 ALA HB H 1.575 0.030 1 871 79 79 ALA C C 176.239 0.300 1 872 79 79 ALA CA C 50.618 0.300 1 873 79 79 ALA CB C 21.782 0.300 1 874 79 79 ALA N N 124.958 0.300 1 875 80 80 GLU H H 8.768 0.030 1 876 80 80 GLU HA H 2.997 0.030 1 877 80 80 GLU HB2 H 1.755 0.030 2 878 80 80 GLU HB3 H 1.697 0.030 2 879 80 80 GLU HG2 H 2.094 0.030 1 880 80 80 GLU HG3 H 2.094 0.030 1 881 80 80 GLU C C 176.081 0.300 1 882 80 80 GLU CA C 58.824 0.300 1 883 80 80 GLU CB C 29.598 0.300 1 884 80 80 GLU CG C 36.325 0.300 1 885 80 80 GLU N N 121.942 0.300 1 886 81 81 ASN H H 8.175 0.030 1 887 81 81 ASN HA H 4.053 0.030 1 888 81 81 ASN HB2 H 2.461 0.030 2 889 81 81 ASN HB3 H 2.646 0.030 2 890 81 81 ASN HD21 H 7.262 0.030 2 891 81 81 ASN HD22 H 6.837 0.030 2 892 81 81 ASN C C 174.200 0.300 1 893 81 81 ASN CA C 54.871 0.300 1 894 81 81 ASN CB C 37.357 0.300 1 895 81 81 ASN N N 112.521 0.300 1 896 81 81 ASN ND2 N 113.257 0.300 1 897 82 82 TYR H H 8.080 0.030 1 898 82 82 TYR HA H 4.319 0.030 1 899 82 82 TYR HB2 H 3.273 0.030 1 900 82 82 TYR HB3 H 2.574 0.030 1 901 82 82 TYR HD1 H 6.853 0.030 1 902 82 82 TYR HD2 H 6.853 0.030 1 903 82 82 TYR HE1 H 6.815 0.030 1 904 82 82 TYR HE2 H 6.815 0.030 1 905 82 82 TYR C C 173.241 0.300 1 906 82 82 TYR CA C 57.420 0.300 1 907 82 82 TYR CB C 37.810 0.300 1 908 82 82 TYR CD1 C 133.865 0.300 1 909 82 82 TYR CD2 C 133.865 0.300 1 910 82 82 TYR CE1 C 117.961 0.300 1 911 82 82 TYR CE2 C 117.961 0.300 1 912 82 82 TYR N N 123.078 0.300 1 913 83 83 CYS H H 7.365 0.030 1 914 83 83 CYS HA H 5.422 0.030 1 915 83 83 CYS HB2 H 2.416 0.030 2 916 83 83 CYS HB3 H 2.522 0.030 2 917 83 83 CYS C C 174.904 0.300 1 918 83 83 CYS CA C 55.654 0.300 1 919 83 83 CYS CB C 30.189 0.300 1 920 83 83 CYS N N 117.531 0.300 1 921 84 84 PHE H H 9.521 0.030 1 922 84 84 PHE HA H 4.877 0.030 1 923 84 84 PHE HB2 H 2.621 0.030 1 924 84 84 PHE HB3 H 3.279 0.030 1 925 84 84 PHE HD1 H 7.292 0.030 1 926 84 84 PHE HD2 H 7.292 0.030 1 927 84 84 PHE HE1 H 7.013 0.030 1 928 84 84 PHE HE2 H 7.013 0.030 1 929 84 84 PHE HZ H 6.157 0.030 1 930 84 84 PHE C C 175.875 0.300 1 931 84 84 PHE CA C 57.794 0.300 1 932 84 84 PHE CB C 45.637 0.300 1 933 84 84 PHE CD1 C 132.204 0.300 1 934 84 84 PHE CD2 C 132.204 0.300 1 935 84 84 PHE CE1 C 131.000 0.300 1 936 84 84 PHE CE2 C 131.000 0.300 1 937 84 84 PHE CZ C 130.030 0.300 1 938 84 84 PHE N N 118.745 0.300 1 939 85 85 ASP H H 9.109 0.030 1 940 85 85 ASP HA H 4.667 0.030 1 941 85 85 ASP HB2 H 2.744 0.030 2 942 85 85 ASP HB3 H 2.803 0.030 2 943 85 85 ASP C C 175.681 0.300 1 944 85 85 ASP CA C 55.854 0.300 1 945 85 85 ASP CB C 41.858 0.300 1 946 85 85 ASP N N 117.494 0.300 1 947 86 86 SER H H 7.462 0.030 1 948 86 86 SER HA H 4.785 0.030 1 949 86 86 SER HB2 H 4.006 0.030 2 950 86 86 SER HB3 H 4.112 0.030 2 951 86 86 SER C C 173.556 0.300 1 952 86 86 SER CA C 56.379 0.300 1 953 86 86 SER CB C 66.516 0.300 1 954 86 86 SER N N 109.674 0.300 1 955 87 87 ILE H H 9.583 0.030 1 956 87 87 ILE HA H 3.902 0.030 1 957 87 87 ILE HB H 2.066 0.030 1 958 87 87 ILE HD1 H 0.588 0.030 1 959 87 87 ILE HG12 H 1.103 0.030 1 960 87 87 ILE HG13 H 1.323 0.030 1 961 87 87 ILE HG2 H 0.660 0.030 1 962 87 87 ILE C C 174.685 0.300 1 963 87 87 ILE CA C 64.355 0.300 1 964 87 87 ILE CB C 34.097 0.300 1 965 87 87 ILE CD1 C 11.773 0.300 1 966 87 87 ILE CG1 C 28.665 0.300 1 967 87 87 ILE CG2 C 17.689 0.300 1 968 87 87 ILE N N 121.121 0.300 1 969 88 88 PRO HA H 4.066 0.030 1 970 88 88 PRO HB2 H 1.800 0.030 1 971 88 88 PRO HB3 H 2.319 0.030 1 972 88 88 PRO HD2 H 3.745 0.030 1 973 88 88 PRO HD3 H 3.684 0.030 1 974 88 88 PRO HG2 H 1.552 0.030 2 975 88 88 PRO HG3 H 2.310 0.030 2 976 88 88 PRO C C 179.298 0.300 1 977 88 88 PRO CA C 66.939 0.300 1 978 88 88 PRO CB C 31.013 0.300 1 979 88 88 PRO CD C 49.520 0.300 1 980 88 88 PRO CG C 29.354 0.300 1 981 89 89 LYS H H 7.248 0.030 1 982 89 89 LYS HA H 4.000 0.030 1 983 89 89 LYS HB2 H 1.890 0.030 2 984 89 89 LYS HB3 H 2.009 0.030 2 985 89 89 LYS HD2 H 1.813 0.030 2 986 89 89 LYS HD3 H 1.915 0.030 2 987 89 89 LYS HE2 H 3.055 0.030 1 988 89 89 LYS HE3 H 3.055 0.030 1 989 89 89 LYS HG2 H 1.504 0.030 1 990 89 89 LYS HG3 H 1.504 0.030 1 991 89 89 LYS C C 177.926 0.300 1 992 89 89 LYS CA C 59.818 0.300 1 993 89 89 LYS CB C 33.156 0.300 1 994 89 89 LYS CD C 29.763 0.300 1 995 89 89 LYS CE C 42.218 0.300 1 996 89 89 LYS CG C 26.799 0.300 1 997 89 89 LYS N N 116.161 0.300 1 998 90 90 LEU H H 7.549 0.030 1 999 90 90 LEU HA H 3.101 0.030 1 1000 90 90 LEU HB2 H 1.480 0.030 1 1001 90 90 LEU HB3 H 2.141 0.030 1 1002 90 90 LEU HD1 H 1.292 0.030 1 1003 90 90 LEU HD2 H 0.668 0.030 1 1004 90 90 LEU HG H 1.588 0.030 1 1005 90 90 LEU C C 177.489 0.300 1 1006 90 90 LEU CA C 58.072 0.300 1 1007 90 90 LEU CB C 43.133 0.300 1 1008 90 90 LEU CD1 C 27.233 0.300 1 1009 90 90 LEU CD2 C 26.303 0.300 1 1010 90 90 LEU CG C 27.168 0.300 1 1011 90 90 LEU N N 123.515 0.300 1 1012 91 91 ILE H H 8.343 0.030 1 1013 91 91 ILE HA H 3.200 0.030 1 1014 91 91 ILE HB H 1.296 0.030 1 1015 91 91 ILE HD1 H -0.043 0.030 1 1016 91 91 ILE HG12 H 1.112 0.030 2 1017 91 91 ILE HG13 H -0.563 0.030 2 1018 91 91 ILE HG2 H -0.341 0.030 1 1019 91 91 ILE C C 177.368 0.300 1 1020 91 91 ILE CA C 61.034 0.300 1 1021 91 91 ILE CB C 34.545 0.300 1 1022 91 91 ILE CD1 C 7.533 0.300 1 1023 91 91 ILE CG1 C 25.488 0.300 1 1024 91 91 ILE CG2 C 16.184 0.300 1 1025 91 91 ILE N N 117.887 0.300 1 1026 92 92 HIS H H 8.049 0.030 1 1027 92 92 HIS HA H 4.534 0.030 1 1028 92 92 HIS HB2 H 3.062 0.030 2 1029 92 92 HIS HB3 H 3.318 0.030 2 1030 92 92 HIS HD2 H 7.121 0.030 1 1031 92 92 HIS C C 178.715 0.300 1 1032 92 92 HIS CA C 60.473 0.300 1 1033 92 92 HIS CB C 30.437 0.300 1 1034 92 92 HIS CD2 C 119.577 0.300 1 1035 92 92 HIS N N 117.765 0.300 1 1036 93 93 TYR H H 7.593 0.030 1 1037 93 93 TYR HA H 3.905 0.030 1 1038 93 93 TYR HB2 H 2.471 0.030 2 1039 93 93 TYR HB3 H 2.610 0.030 2 1040 93 93 TYR C C 179.541 0.300 1 1041 93 93 TYR CA C 63.064 0.300 1 1042 93 93 TYR CB C 39.016 0.300 1 1043 93 93 TYR N N 118.586 0.300 1 1044 94 94 HIS H H 7.803 0.030 1 1045 94 94 HIS HA H 4.252 0.030 1 1046 94 94 HIS HB2 H 2.695 0.030 2 1047 94 94 HIS HB3 H 3.063 0.030 2 1048 94 94 HIS HD2 H 7.152 0.030 1 1049 94 94 HIS C C 175.559 0.300 1 1050 94 94 HIS CA C 59.071 0.300 1 1051 94 94 HIS CB C 27.965 0.300 1 1052 94 94 HIS CD2 C 129.780 0.300 1 1053 94 94 HIS N N 118.422 0.300 1 1054 95 95 GLN H H 8.304 0.030 1 1055 95 95 GLN HA H 4.682 0.030 1 1056 95 95 GLN HB2 H 1.459 0.030 2 1057 95 95 GLN HB3 H 2.048 0.030 2 1058 95 95 GLN HE21 H 7.658 0.030 2 1059 95 95 GLN HE22 H 7.146 0.030 2 1060 95 95 GLN HG2 H 2.232 0.030 2 1061 95 95 GLN HG3 H 1.966 0.030 2 1062 95 95 GLN C C 177.611 0.300 1 1063 95 95 GLN CA C 57.039 0.300 1 1064 95 95 GLN CB C 30.807 0.300 1 1065 95 95 GLN CG C 35.133 0.300 1 1066 95 95 GLN N N 118.707 0.300 1 1067 95 95 GLN NE2 N 111.954 0.300 1 1068 96 96 HIS H H 7.091 0.030 1 1069 96 96 HIS HA H 4.300 0.030 1 1070 96 96 HIS HB2 H 2.430 0.030 2 1071 96 96 HIS HB3 H 3.132 0.030 2 1072 96 96 HIS HD2 H 6.819 0.030 1 1073 96 96 HIS C C 173.398 0.300 1 1074 96 96 HIS CA C 57.197 0.300 1 1075 96 96 HIS CB C 31.590 0.300 1 1076 96 96 HIS CD2 C 122.101 0.300 1 1077 96 96 HIS N N 115.119 0.300 1 1078 97 97 ASN H H 7.321 0.030 1 1079 97 97 ASN HA H 4.672 0.030 1 1080 97 97 ASN HB2 H 1.383 0.030 2 1081 97 97 ASN HB3 H 1.975 0.030 2 1082 97 97 ASN HD21 H 6.707 0.030 2 1083 97 97 ASN HD22 H 6.836 0.030 2 1084 97 97 ASN C C 173.350 0.300 1 1085 97 97 ASN CA C 52.369 0.300 1 1086 97 97 ASN CB C 42.630 0.300 1 1087 97 97 ASN N N 117.247 0.300 1 1088 97 97 ASN ND2 N 118.800 0.300 1 1089 98 98 SER H H 8.602 0.030 1 1090 98 98 SER HA H 4.393 0.030 1 1091 98 98 SER HB2 H 3.773 0.030 1 1092 98 98 SER HB3 H 3.773 0.030 1 1093 98 98 SER C C 173.010 0.300 1 1094 98 98 SER CA C 57.733 0.300 1 1095 98 98 SER CB C 63.533 0.300 1 1096 98 98 SER N N 117.270 0.300 1 1097 99 99 ALA H H 8.149 0.030 1 1098 99 99 ALA HA H 4.380 0.030 1 1099 99 99 ALA HB H 0.727 0.030 1 1100 99 99 ALA C C 176.421 0.300 1 1101 99 99 ALA CA C 51.340 0.300 1 1102 99 99 ALA CB C 21.045 0.300 1 1103 99 99 ALA N N 126.855 0.300 1 1104 100 100 GLY H H 8.712 0.030 1 1105 100 100 GLY HA2 H 3.806 0.030 1 1106 100 100 GLY HA3 H 3.806 0.030 1 1107 100 100 GLY CA C 47.071 0.300 1 1108 100 100 GLY N N 110.456 0.300 1 1109 101 101 MET H H 8.765 0.030 1 1110 101 101 MET HA H 4.273 0.030 1 1111 101 101 MET HB2 H 2.191 0.030 2 1112 101 101 MET HB3 H 2.252 0.030 2 1113 101 101 MET HG2 H 2.520 0.030 2 1114 101 101 MET HG3 H 2.656 0.030 2 1115 101 101 MET C C 175.511 0.300 1 1116 101 101 MET CA C 55.921 0.300 1 1117 101 101 MET CB C 31.292 0.300 1 1118 101 101 MET CG C 32.243 0.300 1 1119 102 102 ILE H H 7.938 0.030 1 1120 102 102 ILE HA H 3.809 0.030 1 1121 102 102 ILE HB H 1.999 0.030 1 1122 102 102 ILE HD1 H 0.082 0.030 1 1123 102 102 ILE HG12 H 0.943 0.030 2 1124 102 102 ILE HG13 H 1.029 0.030 2 1125 102 102 ILE HG2 H 0.481 0.030 1 1126 102 102 ILE CA C 60.239 0.300 1 1127 102 102 ILE CB C 36.485 0.300 1 1128 102 102 ILE CD1 C 11.460 0.300 1 1129 102 102 ILE CG1 C 26.769 0.300 1 1130 102 102 ILE CG2 C 15.747 0.300 1 1131 102 102 ILE N N 121.820 0.300 1 1132 103 103 THR H H 7.570 0.030 1 1133 103 103 THR HA H 4.084 0.030 1 1134 103 103 THR HB H 4.151 0.030 1 1135 103 103 THR HG2 H 1.181 0.030 1 1136 103 103 THR C C 172.500 0.300 1 1137 103 103 THR CA C 61.870 0.300 1 1138 103 103 THR CB C 69.413 0.300 1 1139 103 103 THR CG2 C 21.184 0.300 1 1140 103 103 THR N N 123.058 0.300 1 1141 104 104 ARG H H 7.686 0.030 1 1142 104 104 ARG HA H 3.937 0.030 1 1143 104 104 ARG HB2 H 1.399 0.030 1 1144 104 104 ARG HB3 H 1.399 0.030 1 1145 104 104 ARG HD2 H 2.723 0.030 1 1146 104 104 ARG HD3 H 2.723 0.030 1 1147 104 104 ARG HG2 H 1.019 0.030 2 1148 104 104 ARG HG3 H 1.244 0.030 2 1149 104 104 ARG C C 175.900 0.300 1 1150 104 104 ARG CA C 57.226 0.300 1 1151 104 104 ARG CB C 30.889 0.300 1 1152 104 104 ARG CD C 43.645 0.300 1 1153 104 104 ARG CG C 27.280 0.300 1 1154 104 104 ARG N N 120.612 0.300 1 1155 105 105 LEU H H 7.953 0.030 1 1156 105 105 LEU HA H 3.716 0.030 1 1157 105 105 LEU HB2 H 0.548 0.030 1 1158 105 105 LEU HB3 H -0.972 0.030 1 1159 105 105 LEU HD1 H 0.025 0.030 1 1160 105 105 LEU HD2 H 0.138 0.030 1 1161 105 105 LEU HG H 1.143 0.030 1 1162 105 105 LEU C C 175.754 0.300 1 1163 105 105 LEU CA C 54.105 0.300 1 1164 105 105 LEU CB C 37.602 0.300 1 1165 105 105 LEU CD1 C 26.199 0.300 1 1166 105 105 LEU CD2 C 22.048 0.300 1 1167 105 105 LEU CG C 25.100 0.300 1 1168 105 105 LEU N N 125.372 0.300 1 1169 106 106 ARG H H 8.386 0.030 1 1170 106 106 ARG HA H 4.302 0.030 1 1171 106 106 ARG HB2 H 1.413 0.030 1 1172 106 106 ARG HB3 H 1.160 0.030 1 1173 106 106 ARG HD2 H 3.081 0.030 1 1174 106 106 ARG HD3 H 3.081 0.030 1 1175 106 106 ARG HG2 H 1.415 0.030 2 1176 106 106 ARG HG3 H 1.215 0.030 2 1177 106 106 ARG C C 176.567 0.300 1 1178 106 106 ARG CA C 57.876 0.300 1 1179 106 106 ARG CB C 34.062 0.300 1 1180 106 106 ARG CD C 43.207 0.300 1 1181 106 106 ARG CG C 27.718 0.300 1 1182 106 106 ARG N N 122.522 0.300 1 1183 107 107 HIS H H 7.560 0.030 1 1184 107 107 HIS HA H 5.453 0.030 1 1185 107 107 HIS HB2 H 2.743 0.030 1 1186 107 107 HIS HB3 H 3.001 0.030 1 1187 107 107 HIS HD2 H 6.858 0.030 1 1188 107 107 HIS C C 171.554 0.300 1 1189 107 107 HIS CA C 52.492 0.300 1 1190 107 107 HIS CB C 32.743 0.300 1 1191 107 107 HIS CD2 C 121.117 0.300 1 1192 107 107 HIS N N 115.885 0.300 1 1193 108 108 PRO HA H 3.742 0.030 1 1194 108 108 PRO HB2 H 1.692 0.030 1 1195 108 108 PRO HB3 H 1.767 0.030 1 1196 108 108 PRO HD2 H 3.949 0.030 1 1197 108 108 PRO HD3 H 3.949 0.030 1 1198 108 108 PRO HG2 H 2.372 0.030 1 1199 108 108 PRO HG3 H 2.020 0.030 1 1200 108 108 PRO C C 176.458 0.300 1 1201 108 108 PRO CA C 62.838 0.300 1 1202 108 108 PRO CB C 32.982 0.300 1 1203 108 108 PRO CD C 51.116 0.300 1 1204 108 108 PRO CG C 27.718 0.300 1 1205 109 109 VAL H H 8.508 0.030 1 1206 109 109 VAL HA H 4.155 0.030 1 1207 109 109 VAL HB H 1.649 0.030 1 1208 109 109 VAL HG1 H 0.724 0.030 1 1209 109 109 VAL HG2 H 0.942 0.030 1 1210 109 109 VAL C C 172.051 0.300 1 1211 109 109 VAL CA C 62.138 0.300 1 1212 109 109 VAL CB C 34.828 0.300 1 1213 109 109 VAL CG1 C 22.418 0.300 1 1214 109 109 VAL CG2 C 23.033 0.300 1 1215 109 109 VAL N N 125.956 0.300 1 1216 110 110 SER H H 7.204 0.030 1 1217 110 110 SER HA H 3.947 0.030 1 1218 110 110 SER HB2 H 3.750 0.030 1 1219 110 110 SER HB3 H 3.750 0.030 1 1220 110 110 SER C C 177.744 0.300 1 1221 110 110 SER CA C 59.426 0.300 1 1222 110 110 SER CB C 64.968 0.300 1 1223 110 110 SER N N 119.338 0.300 1 stop_ save_