data_19988 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PR domain of FOG-1 ; _BMRB_accession_number 19988 _BMRB_flat_file_name bmr19988.str _Entry_type original _Submission_date 2014-05-26 _Accession_date 2014-05-26 _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 Mackay Joel P. . 2 Clifton Molly K. . 3 Westman Belinda J. . 4 Blobel Gerd A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 606 "13C chemical shifts" 474 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-27 original BMRB . stop_ _Original_release_date 2014-09-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Identification and Structure of an N-Terminal PR Domain Show that FOG1 Is a Member of the PRDM Family of Proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25162672 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clifton Molly K. . 2 Westman Belinda J. . 3 Thong 'Sock Yue' . . 4 O'Connell Mitchell R . 5 Shepherd Nicholas E. . 6 Quinlan Kate G. . 7 Crossley Merlin . . 8 Blobel Gerd A. . 9 Mackay Joel P. . stop_ _Journal_abbreviation 'Plos One' _Journal_volume 9 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e106011 _Page_last e106011 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PR domain of FOG-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FOG-1_PR $FOG-1_PR 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_FOG-1_PR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FOG-1_PR _Molecular_mass 14061.062 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; PWSGPEELELALQDGQRCVR ARLSLTEGLSWGPFYGSIQT RALSPEREEPGPAVTLMVDE SCWLRMLPQVLTEEAANSEI YRKDDALWCRVTKVVPSGGL LYVRLVTEPHGAPRHPVQEP VEPGGLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 PRO 2 101 TRP 3 102 SER 4 103 GLY 5 104 PRO 6 105 GLU 7 106 GLU 8 107 LEU 9 108 GLU 10 109 LEU 11 110 ALA 12 111 LEU 13 112 GLN 14 113 ASP 15 114 GLY 16 115 GLN 17 116 ARG 18 117 CYS 19 118 VAL 20 119 ARG 21 120 ALA 22 121 ARG 23 122 LEU 24 123 SER 25 124 LEU 26 125 THR 27 126 GLU 28 127 GLY 29 128 LEU 30 129 SER 31 130 TRP 32 131 GLY 33 132 PRO 34 133 PHE 35 134 TYR 36 135 GLY 37 136 SER 38 137 ILE 39 138 GLN 40 139 THR 41 140 ARG 42 141 ALA 43 142 LEU 44 143 SER 45 144 PRO 46 145 GLU 47 146 ARG 48 147 GLU 49 148 GLU 50 149 PRO 51 150 GLY 52 151 PRO 53 152 ALA 54 153 VAL 55 154 THR 56 155 LEU 57 156 MET 58 157 VAL 59 158 ASP 60 159 GLU 61 160 SER 62 161 CYS 63 162 TRP 64 163 LEU 65 164 ARG 66 165 MET 67 166 LEU 68 167 PRO 69 168 GLN 70 169 VAL 71 170 LEU 72 171 THR 73 172 GLU 74 173 GLU 75 174 ALA 76 175 ALA 77 176 ASN 78 177 SER 79 178 GLU 80 179 ILE 81 180 TYR 82 181 ARG 83 182 LYS 84 183 ASP 85 184 ASP 86 185 ALA 87 186 LEU 88 187 TRP 89 188 CYS 90 189 ARG 91 190 VAL 92 191 THR 93 192 LYS 94 193 VAL 95 194 VAL 96 195 PRO 97 196 SER 98 197 GLY 99 198 GLY 100 199 LEU 101 200 LEU 102 201 TYR 103 202 VAL 104 203 ARG 105 204 LEU 106 205 VAL 107 206 THR 108 207 GLU 109 208 PRO 110 209 HIS 111 210 GLY 112 211 ALA 113 212 PRO 114 213 ARG 115 214 HIS 116 215 PRO 117 216 VAL 118 217 GLN 119 218 GLU 120 219 PRO 121 220 VAL 122 221 GLU 123 222 PRO 124 223 GLY 125 224 GLY 126 225 LEU 127 226 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $FOG-1_PR 'House mouse' 10090 Eukaryota Metazoa Mus musculus zfpm1 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 $FOG-1_PR 'recombinant technology' . Escherichia coli BL21 pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Saveframe_category sample _Sample_type solution _Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FOG-1_PR 0.5-1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DSS 0.01 mM 'natural abundance' stop_ save_ save_15N_labeled _Saveframe_category sample _Sample_type solution _Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FOG-1_PR 0.5-1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DSS 0.01 mM 'natural abundance' stop_ save_ save_15N-13C_labeled _Saveframe_category sample _Sample_type solution _Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FOG-1_PR 0.5-1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DSS 0.01 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_labeled save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N-13C_labeled save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N-13C_labeled save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C_labeled save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N-13C_labeled save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N-13C_labeled save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N-13C_labeled save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N-13C_labeled save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N-13C_labeled save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-13C_labeled save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N-13C_labeled save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $15N-13C_labeled save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $15N-13C_labeled 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' 0.06 . M pH 7 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.2514495 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.1013291 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCA' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $15N_labeled $unlabelled $15N-13C_labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FOG-1_PR _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 1 100 1 PRO HA H 4.561 0.012 . 2 100 1 PRO HB2 H 2.360 0.000 . 3 100 1 PRO HB3 H 1.980 0.000 . 4 100 1 PRO C C 176.422 0.000 . 5 100 1 PRO CA C 63.403 0.059 . 6 100 1 PRO CB C 32.050 0.027 . 7 100 1 PRO CG C 27.368 0.000 . 8 100 1 PRO CD C 50.737 0.000 . 9 101 2 TRP H H 8.581 0.008 . 10 101 2 TRP HA H 4.939 0.003 . 11 101 2 TRP HB2 H 3.379 0.009 . 12 101 2 TRP HB3 H 3.227 0.014 . 13 101 2 TRP HD1 H 7.239 0.005 . 14 101 2 TRP HE1 H 9.829 0.021 . 15 101 2 TRP HE3 H 7.688 0.009 . 16 101 2 TRP HZ2 H 6.760 0.009 . 17 101 2 TRP HZ3 H 7.010 0.003 . 18 101 2 TRP HH2 H 6.600 0.011 . 19 101 2 TRP C C 175.716 0.000 . 20 101 2 TRP CA C 56.771 0.138 . 21 101 2 TRP CB C 29.973 0.039 . 22 101 2 TRP CD1 C 127.920 0.015 . 23 101 2 TRP CE3 C 121.818 0.000 . 24 101 2 TRP CZ2 C 113.559 0.000 . 25 101 2 TRP CZ3 C 121.924 0.000 . 26 101 2 TRP CH2 C 123.980 0.000 . 27 101 2 TRP N N 121.689 0.128 . 28 101 2 TRP NE1 N 130.876 0.020 . 29 104 5 PRO HA H 4.226 0.008 . 30 104 5 PRO HB2 H 2.122 0.005 . 31 104 5 PRO HB3 H 1.840 0.010 . 32 104 5 PRO HG2 H 0.505 0.016 . 33 104 5 PRO HG3 H 0.365 0.027 . 34 104 5 PRO HD2 H 1.223 0.017 . 35 104 5 PRO C C 177.413 0.000 . 36 104 5 PRO CA C 62.522 0.182 . 37 104 5 PRO CB C 32.719 0.149 . 38 104 5 PRO CG C 26.448 0.109 . 39 104 5 PRO CD C 47.811 0.052 . 40 105 6 GLU H H 8.673 0.007 . 41 105 6 GLU HA H 4.149 0.010 . 42 105 6 GLU HB2 H 2.068 0.006 . 43 105 6 GLU HB3 H 2.068 0.006 . 44 105 6 GLU HG2 H 2.370 0.015 . 45 105 6 GLU HG3 H 2.370 0.015 . 46 105 6 GLU C C 177.649 0.052 . 47 105 6 GLU CA C 58.786 0.066 . 48 105 6 GLU CB C 29.973 0.259 . 49 105 6 GLU CG C 36.434 0.054 . 50 105 6 GLU N N 119.946 0.123 . 51 106 7 GLU H H 9.385 0.006 . 52 106 7 GLU HA H 4.052 0.019 . 53 106 7 GLU HB2 H 2.343 0.008 . 54 106 7 GLU HB3 H 2.219 0.014 . 55 106 7 GLU HG2 H 2.608 0.010 . 56 106 7 GLU HG3 H 2.420 0.012 . 57 106 7 GLU C C 174.918 0.006 . 58 106 7 GLU CA C 59.459 0.116 . 59 106 7 GLU CB C 32.021 3.609 . 60 106 7 GLU CG C 36.178 2.421 . 61 106 7 GLU N N 116.207 0.120 . 62 107 8 LEU H H 7.713 0.007 . 63 107 8 LEU HA H 5.163 0.010 . 64 107 8 LEU HB2 H 1.118 0.009 . 65 107 8 LEU HB3 H 1.408 0.012 . 66 107 8 LEU HG H 1.124 0.006 . 67 107 8 LEU HD1 H 0.837 0.008 . 68 107 8 LEU HD2 H -0.124 0.007 . 69 107 8 LEU C C 174.044 0.098 . 70 107 8 LEU CA C 52.618 0.085 . 71 107 8 LEU CB C 46.059 0.179 . 72 107 8 LEU CG C 27.337 0.091 . 73 107 8 LEU CD1 C 23.783 0.200 . 74 107 8 LEU CD2 C 25.984 0.192 . 75 107 8 LEU N N 117.569 0.122 . 76 108 9 GLU H H 8.756 0.010 . 77 108 9 GLU HA H 4.045 0.022 . 78 108 9 GLU HB2 H 1.752 0.000 . 79 108 9 GLU HB3 H 1.683 0.016 . 80 108 9 GLU HG2 H 1.874 0.006 . 81 108 9 GLU HG3 H 1.779 0.000 . 82 108 9 GLU C C 173.046 0.031 . 83 108 9 GLU CA C 53.654 0.092 . 84 108 9 GLU CB C 32.770 0.092 . 85 108 9 GLU CG C 34.606 0.008 . 86 108 9 GLU N N 115.925 0.167 . 87 109 10 LEU H H 7.578 0.007 . 88 109 10 LEU HA H 4.394 0.015 . 89 109 10 LEU HB2 H 1.144 0.019 . 90 109 10 LEU HB3 H 0.492 0.019 . 91 109 10 LEU HG H 0.992 0.012 . 92 109 10 LEU HD2 H 0.665 0.010 . 93 109 10 LEU C C 175.840 0.003 . 94 109 10 LEU CA C 52.430 3.311 . 95 109 10 LEU CB C 41.969 0.150 . 96 109 10 LEU CG C 26.851 0.061 . 97 109 10 LEU CD2 C 25.165 0.183 . 98 109 10 LEU N N 123.332 0.112 . 99 110 11 ALA H H 8.682 0.010 . 100 110 11 ALA HA H 4.503 0.013 . 101 110 11 ALA HB H 1.080 0.006 . 102 110 11 ALA C C 175.118 0.028 . 103 110 11 ALA CA C 50.489 0.111 . 104 110 11 ALA CB C 21.980 0.096 . 105 110 11 ALA N N 128.901 0.136 . 106 111 12 LEU H H 8.152 0.010 . 107 111 12 LEU HA H 4.912 0.014 . 108 111 12 LEU HB2 H 1.466 0.008 . 109 111 12 LEU HB3 H 1.386 0.010 . 110 111 12 LEU HG H 1.377 0.008 . 111 111 12 LEU HD1 H 0.716 0.014 . 112 111 12 LEU HD2 H 0.716 0.014 . 113 111 12 LEU C C 176.659 0.014 . 114 111 12 LEU CA C 53.987 0.016 . 115 111 12 LEU CB C 44.021 0.047 . 116 111 12 LEU CG C 27.078 0.110 . 117 111 12 LEU CD1 C 24.303 0.165 . 118 111 12 LEU N N 121.899 0.079 . 119 112 13 GLN H H 8.824 0.007 . 120 112 13 GLN HA H 4.516 0.003 . 121 112 13 GLN HB2 H 1.977 0.011 . 122 112 13 GLN HB3 H 1.938 0.002 . 123 112 13 GLN HG2 H 2.190 0.009 . 124 112 13 GLN HG3 H 2.190 0.009 . 125 112 13 GLN C C 175.433 0.001 . 126 112 13 GLN CA C 55.219 0.044 . 127 112 13 GLN CB C 31.022 0.043 . 128 112 13 GLN CG C 33.709 0.015 . 129 112 13 GLN N N 124.125 0.105 . 130 113 14 ASP H H 9.515 0.009 . 131 113 14 ASP HA H 4.300 0.010 . 132 113 14 ASP HB2 H 2.942 0.009 . 133 113 14 ASP HB3 H 2.652 0.008 . 134 113 14 ASP C C 176.072 0.000 . 135 113 14 ASP CA C 55.627 0.053 . 136 113 14 ASP CB C 39.773 0.071 . 137 113 14 ASP N N 128.737 0.090 . 138 114 15 GLY H H 8.530 0.007 . 139 114 15 GLY HA2 H 4.180 0.017 . 140 114 15 GLY HA3 H 3.567 0.005 . 141 114 15 GLY C C 173.692 0.032 . 142 114 15 GLY CA C 45.514 0.076 . 143 114 15 GLY N N 103.271 0.065 . 144 115 16 GLN H H 7.842 0.006 . 145 115 16 GLN HA H 4.649 0.014 . 146 115 16 GLN HB2 H 2.172 0.015 . 147 115 16 GLN HB3 H 2.016 0.018 . 148 115 16 GLN HG2 H 2.391 0.011 . 149 115 16 GLN HG3 H 2.356 0.007 . 150 115 16 GLN C C 175.094 0.010 . 151 115 16 GLN CA C 53.785 0.070 . 152 115 16 GLN CB C 31.045 0.075 . 153 115 16 GLN CG C 33.200 0.044 . 154 115 16 GLN N N 119.635 0.089 . 155 116 17 ARG H H 8.727 0.006 . 156 116 17 ARG HA H 4.718 0.014 . 157 116 17 ARG HB2 H 1.831 0.022 . 158 116 17 ARG HB3 H 1.751 0.014 . 159 116 17 ARG HG2 H 1.575 0.000 . 160 116 17 ARG HG3 H 1.575 0.000 . 161 116 17 ARG C C 175.702 0.051 . 162 116 17 ARG CA C 56.621 0.019 . 163 116 17 ARG CB C 30.348 0.112 . 164 116 17 ARG CG C 27.280 0.000 . 165 116 17 ARG CD C 43.717 0.000 . 166 116 17 ARG N N 124.694 0.088 . 167 117 18 CYS H H 8.893 0.009 . 168 117 18 CYS HA H 4.950 0.013 . 169 117 18 CYS HB2 H 3.010 0.018 . 170 117 18 CYS HB3 H 2.831 0.015 . 171 117 18 CYS C C 171.624 0.008 . 172 117 18 CYS CA C 56.249 0.073 . 173 117 18 CYS CB C 30.804 0.062 . 174 117 18 CYS N N 121.704 0.125 . 175 118 19 VAL H H 8.236 0.010 . 176 118 19 VAL HA H 4.562 0.007 . 177 118 19 VAL HB H 1.869 0.013 . 178 118 19 VAL HG1 H 0.847 0.005 . 179 118 19 VAL HG2 H 0.847 0.005 . 180 118 19 VAL C C 174.374 0.014 . 181 118 19 VAL CA C 61.711 0.068 . 182 118 19 VAL CB C 33.294 0.032 . 183 118 19 VAL CG1 C 23.605 0.000 . 184 118 19 VAL CG2 C 22.130 0.139 . 185 118 19 VAL N N 120.210 0.068 . 186 119 20 ARG H H 9.065 0.007 . 187 119 20 ARG HA H 5.185 0.010 . 188 119 20 ARG HB2 H 1.432 0.021 . 189 119 20 ARG HB3 H 1.317 0.015 . 190 119 20 ARG HG2 H 1.282 0.017 . 191 119 20 ARG HG3 H 1.282 0.017 . 192 119 20 ARG HD2 H 3.027 0.020 . 193 119 20 ARG HD3 H 2.907 0.016 . 194 119 20 ARG C C 174.449 0.013 . 195 119 20 ARG CA C 53.298 0.255 . 196 119 20 ARG CB C 35.028 0.092 . 197 119 20 ARG CG C 26.282 0.047 . 198 119 20 ARG CD C 43.895 0.064 . 199 119 20 ARG N N 127.170 0.098 . 200 120 21 ALA H H 8.799 0.010 . 201 120 21 ALA HA H 4.552 0.010 . 202 120 21 ALA HB H 1.618 0.005 . 203 120 21 ALA C C 178.901 0.027 . 204 120 21 ALA CA C 52.523 0.079 . 205 120 21 ALA CB C 18.751 0.055 . 206 120 21 ALA N N 125.495 0.109 . 207 121 22 ARG H H 9.321 0.006 . 208 121 22 ARG HA H 4.170 0.014 . 209 121 22 ARG HB2 H 1.809 0.017 . 210 121 22 ARG HB3 H 1.425 0.017 . 211 121 22 ARG HG2 H 1.613 0.007 . 212 121 22 ARG HG3 H 1.368 0.009 . 213 121 22 ARG HD2 H 3.202 0.009 . 214 121 22 ARG HD3 H 3.202 0.009 . 215 121 22 ARG C C 175.255 0.015 . 216 121 22 ARG CA C 57.952 0.070 . 217 121 22 ARG CB C 31.133 0.163 . 218 121 22 ARG CG C 28.057 0.099 . 219 121 22 ARG CD C 43.449 0.113 . 220 121 22 ARG N N 125.858 0.080 . 221 122 23 LEU H H 7.687 0.006 . 222 122 23 LEU HA H 4.582 0.007 . 223 122 23 LEU HB2 H 1.790 0.006 . 224 122 23 LEU HB3 H 1.658 0.017 . 225 122 23 LEU HD1 H 0.941 0.011 . 226 122 23 LEU HD2 H 0.941 0.011 . 227 122 23 LEU C C 174.106 0.004 . 228 122 23 LEU CA C 53.163 0.105 . 229 122 23 LEU CB C 43.568 0.051 . 230 122 23 LEU CG C 26.404 0.323 . 231 122 23 LEU CD1 C 25.621 0.132 . 232 122 23 LEU N N 118.332 0.125 . 233 123 24 SER H H 8.177 0.007 . 234 123 24 SER HA H 4.765 0.012 . 235 123 24 SER HB2 H 3.851 0.005 . 236 123 24 SER HB3 H 3.851 0.005 . 237 123 24 SER C C 174.796 0.000 . 238 123 24 SER CA C 58.708 0.113 . 239 123 24 SER CB C 63.021 0.077 . 240 123 24 SER N N 112.317 0.208 . 241 124 25 LEU H H 9.345 0.007 . 242 124 25 LEU HA H 4.740 0.017 . 243 124 25 LEU HB2 H 2.005 0.010 . 244 124 25 LEU HB3 H 1.605 0.007 . 245 124 25 LEU HD1 H 1.151 0.007 . 246 124 25 LEU HD2 H 0.949 0.008 . 247 124 25 LEU C C 176.310 0.027 . 248 124 25 LEU CA C 53.137 0.128 . 249 124 25 LEU CB C 43.051 0.041 . 250 124 25 LEU CG C 26.861 0.000 . 251 124 25 LEU CD1 C 23.630 0.000 . 252 124 25 LEU CD2 C 22.805 0.000 . 253 124 25 LEU N N 125.721 0.093 . 254 125 26 THR H H 7.415 0.009 . 255 125 26 THR HA H 4.234 0.024 . 256 125 26 THR HB H 4.170 0.041 . 257 125 26 THR HG2 H 1.222 0.015 . 258 125 26 THR C C 173.231 0.036 . 259 125 26 THR CA C 60.434 0.116 . 260 125 26 THR CB C 70.534 0.279 . 261 125 26 THR CG2 C 21.884 0.150 . 262 125 26 THR N N 113.632 0.195 . 263 126 27 GLU H H 8.252 0.006 . 264 126 27 GLU HA H 3.449 0.011 . 265 126 27 GLU HB2 H 1.821 0.021 . 266 126 27 GLU HB3 H 1.734 0.024 . 267 126 27 GLU HG2 H 2.080 0.005 . 268 126 27 GLU HG3 H 2.010 0.006 . 269 126 27 GLU C C 177.541 0.028 . 270 126 27 GLU CA C 58.258 0.109 . 271 126 27 GLU CB C 29.257 0.180 . 272 126 27 GLU CG C 35.778 0.053 . 273 126 27 GLU N N 121.126 0.131 . 274 127 28 GLY H H 8.747 0.010 . 275 127 28 GLY HA2 H 4.359 0.012 . 276 127 28 GLY HA3 H 3.434 0.008 . 277 127 28 GLY C C 174.618 0.018 . 278 127 28 GLY CA C 44.839 0.106 . 279 127 28 GLY N N 114.185 0.089 . 280 128 29 LEU H H 7.386 0.007 . 281 128 29 LEU HA H 4.002 0.015 . 282 128 29 LEU HB2 H 1.532 0.014 . 283 128 29 LEU HB3 H 1.408 0.012 . 284 128 29 LEU HG H 0.861 0.016 . 285 128 29 LEU HD1 H 0.992 0.000 . 286 128 29 LEU HD2 H 0.878 0.000 . 287 128 29 LEU C C 175.097 0.027 . 288 128 29 LEU CA C 56.743 0.079 . 289 128 29 LEU CB C 41.777 0.063 . 290 128 29 LEU CG C 26.944 0.018 . 291 128 29 LEU CD1 C 24.275 0.000 . 292 128 29 LEU N N 125.575 0.119 . 293 129 30 SER H H 7.844 0.006 . 294 129 30 SER HA H 5.632 0.010 . 295 129 30 SER HB2 H 3.846 0.010 . 296 129 30 SER HB3 H 3.800 0.014 . 297 129 30 SER C C 172.463 0.031 . 298 129 30 SER CA C 56.679 0.072 . 299 129 30 SER CB C 67.201 0.080 . 300 129 30 SER N N 117.876 0.058 . 301 130 31 TRP H H 9.715 0.006 . 302 130 31 TRP HA H 5.277 0.009 . 303 130 31 TRP HB2 H 3.880 0.011 . 304 130 31 TRP HB3 H 3.429 0.009 . 305 130 31 TRP HD1 H 7.525 0.008 . 306 130 31 TRP HE1 H 10.281 0.004 . 307 130 31 TRP HE3 H 7.709 0.002 . 308 130 31 TRP HZ2 H 7.149 0.008 . 309 130 31 TRP HZ3 H 7.024 0.010 . 310 130 31 TRP HH2 H 6.924 0.007 . 311 130 31 TRP C C 173.949 0.025 . 312 130 31 TRP CA C 58.001 0.092 . 313 130 31 TRP CB C 32.937 0.102 . 314 130 31 TRP CD1 C 126.853 0.004 . 315 130 31 TRP CE3 C 121.055 0.012 . 316 130 31 TRP CZ2 C 113.189 0.006 . 317 130 31 TRP CH2 C 123.607 0.019 . 318 130 31 TRP N N 121.053 0.114 . 319 130 31 TRP NE1 N 130.508 0.017 . 320 131 32 GLY H H 8.040 0.006 . 321 131 32 GLY HA2 H 3.410 0.003 . 322 131 32 GLY C C 169.780 0.000 . 323 131 32 GLY CA C 43.517 0.010 . 324 131 32 GLY N N 109.234 0.090 . 325 132 33 PRO HA H 2.708 0.010 . 326 132 33 PRO HB2 H 1.558 0.012 . 327 132 33 PRO HB3 H 1.265 0.007 . 328 132 33 PRO HG2 H 1.831 0.001 . 329 132 33 PRO HG3 H 1.831 0.001 . 330 132 33 PRO HD2 H 3.326 0.002 . 331 132 33 PRO HD3 H 3.176 0.007 . 332 132 33 PRO C C 175.245 0.000 . 333 132 33 PRO CA C 60.742 0.170 . 334 132 33 PRO CB C 35.037 0.051 . 335 132 33 PRO CD C 49.998 0.093 . 336 133 34 PHE H H 8.854 0.012 . 337 133 34 PHE HA H 4.556 0.013 . 338 133 34 PHE HB2 H 2.795 0.013 . 339 133 34 PHE HB3 H 2.228 0.004 . 340 133 34 PHE HD1 H 6.926 0.009 . 341 133 34 PHE HD2 H 6.926 0.009 . 342 133 34 PHE HE1 H 7.133 0.008 . 343 133 34 PHE HE2 H 7.133 0.008 . 344 133 34 PHE HZ H 7.291 0.014 . 345 133 34 PHE C C 174.561 0.017 . 346 133 34 PHE CA C 55.647 0.110 . 347 133 34 PHE CB C 41.031 0.117 . 348 133 34 PHE CD2 C 132.671 0.067 . 349 133 34 PHE CE2 C 130.846 0.050 . 350 133 34 PHE CZ C 129.354 0.020 . 351 133 34 PHE N N 118.611 0.188 . 352 134 35 TYR H H 8.735 0.007 . 353 134 35 TYR HA H 4.753 0.011 . 354 134 35 TYR HB2 H 2.896 0.062 . 355 134 35 TYR HB3 H 3.049 0.051 . 356 134 35 TYR HD1 H 7.222 0.007 . 357 134 35 TYR HD2 H 7.222 0.007 . 358 134 35 TYR HE1 H 6.793 0.015 . 359 134 35 TYR HE2 H 6.793 0.015 . 360 134 35 TYR C C 175.261 0.027 . 361 134 35 TYR CA C 58.290 0.084 . 362 134 35 TYR CB C 38.154 0.088 . 363 134 35 TYR CD1 C 133.403 0.011 . 364 134 35 TYR CE1 C 117.983 0.020 . 365 134 35 TYR N N 122.925 0.197 . 366 135 36 GLY H H 7.892 0.007 . 367 135 36 GLY HA2 H 4.700 0.007 . 368 135 36 GLY HA3 H 3.776 0.012 . 369 135 36 GLY C C 171.876 0.001 . 370 135 36 GLY CA C 44.964 0.032 . 371 135 36 GLY N N 111.845 0.109 . 372 136 37 SER H H 8.719 0.008 . 373 136 37 SER HA H 4.603 0.013 . 374 136 37 SER HB2 H 3.771 0.011 . 375 136 37 SER HB3 H 3.705 0.015 . 376 136 37 SER C C 171.887 0.026 . 377 136 37 SER CA C 57.276 0.092 . 378 136 37 SER CB C 65.882 0.090 . 379 136 37 SER N N 111.553 0.073 . 380 137 38 ILE H H 8.609 0.009 . 381 137 38 ILE HA H 4.559 0.010 . 382 137 38 ILE HB H 1.616 0.009 . 383 137 38 ILE HG12 H 1.508 0.006 . 384 137 38 ILE HG13 H 0.683 0.013 . 385 137 38 ILE HG2 H 0.658 0.010 . 386 137 38 ILE HD1 H 0.787 0.012 . 387 137 38 ILE C C 175.751 0.043 . 388 137 38 ILE CA C 60.788 0.093 . 389 137 38 ILE CB C 39.372 0.091 . 390 137 38 ILE CG1 C 28.151 0.169 . 391 137 38 ILE CG2 C 18.955 0.069 . 392 137 38 ILE CD1 C 14.469 0.107 . 393 137 38 ILE N N 122.010 0.083 . 394 138 39 GLN H H 8.897 0.008 . 395 138 39 GLN HA H 4.686 0.000 . 396 138 39 GLN C C 175.218 0.008 . 397 138 39 GLN CA C 54.394 0.131 . 398 138 39 GLN CB C 31.463 0.081 . 399 138 39 GLN N N 127.192 0.201 . 400 139 40 THR H H 8.614 0.007 . 401 139 40 THR HA H 4.822 0.012 . 402 139 40 THR HB H 4.201 0.009 . 403 139 40 THR HG2 H 1.237 0.002 . 404 139 40 THR C C 174.453 0.036 . 405 139 40 THR CA C 61.273 0.104 . 406 139 40 THR CB C 69.879 0.124 . 407 139 40 THR CG2 C 21.842 0.000 . 408 139 40 THR N N 118.272 0.130 . 409 140 41 ARG H H 8.427 0.009 . 410 140 41 ARG HA H 4.368 0.007 . 411 140 41 ARG HB2 H 1.787 0.007 . 412 140 41 ARG HB3 H 1.650 0.000 . 413 140 41 ARG HD2 H 3.190 0.000 . 414 140 41 ARG HD3 H 3.190 0.000 . 415 140 41 ARG C C 175.791 0.009 . 416 140 41 ARG CA C 56.130 0.095 . 417 140 41 ARG CB C 31.394 0.072 . 418 140 41 ARG CG C 27.114 0.000 . 419 140 41 ARG CD C 43.593 0.156 . 420 140 41 ARG N N 125.609 0.026 . 421 141 42 ALA H H 8.514 0.007 . 422 141 42 ALA HA H 4.321 0.016 . 423 141 42 ALA HB H 1.385 0.012 . 424 141 42 ALA C C 177.438 0.015 . 425 141 42 ALA CA C 52.549 0.073 . 426 141 42 ALA CB C 19.065 0.140 . 427 141 42 ALA N N 126.259 0.074 . 428 142 43 LEU H H 8.197 0.007 . 429 142 43 LEU HA H 4.366 0.013 . 430 142 43 LEU HB2 H 1.601 0.018 . 431 142 43 LEU HB3 H 1.601 0.018 . 432 142 43 LEU HG H 1.609 0.020 . 433 142 43 LEU HD1 H 0.921 0.017 . 434 142 43 LEU HD2 H 0.884 0.008 . 435 142 43 LEU C C 177.090 0.012 . 436 142 43 LEU CA C 54.990 0.018 . 437 142 43 LEU CB C 42.582 0.193 . 438 142 43 LEU CG C 27.034 0.030 . 439 142 43 LEU CD1 C 24.846 0.053 . 440 142 43 LEU CD2 C 23.597 0.204 . 441 142 43 LEU N N 121.708 0.018 . 442 143 44 SER H H 8.418 0.005 . 443 143 44 SER HA H 4.845 0.015 . 444 143 44 SER HB2 H 3.928 0.013 . 445 143 44 SER HB3 H 3.857 0.016 . 446 143 44 SER C C 173.493 0.000 . 447 143 44 SER CA C 55.931 0.197 . 448 143 44 SER CB C 64.046 0.047 . 449 143 44 SER N N 118.236 0.129 . 450 144 45 PRO HA H 4.425 0.013 . 451 144 45 PRO HB2 H 2.331 0.009 . 452 144 45 PRO HB3 H 1.999 0.008 . 453 144 45 PRO HG2 H 2.032 0.005 . 454 144 45 PRO HG3 H 2.032 0.005 . 455 144 45 PRO HD2 H 3.854 0.010 . 456 144 45 PRO HD3 H 3.746 0.000 . 457 144 45 PRO C C 177.228 0.000 . 458 144 45 PRO CA C 64.026 0.046 . 459 144 45 PRO CB C 32.005 0.072 . 460 144 45 PRO CG C 27.514 0.012 . 461 144 45 PRO CD C 50.970 0.000 . 462 145 46 GLU H H 8.479 0.007 . 463 145 46 GLU HA H 4.264 0.024 . 464 145 46 GLU HB2 H 2.053 0.022 . 465 145 46 GLU HB3 H 1.938 0.018 . 466 145 46 GLU HG2 H 2.274 0.016 . 467 145 46 GLU HG3 H 2.274 0.016 . 468 145 46 GLU C C 176.258 0.021 . 469 145 46 GLU CA C 57.105 0.028 . 470 145 46 GLU CB C 29.558 0.147 . 471 145 46 GLU CG C 36.213 0.045 . 472 145 46 GLU N N 118.249 0.127 . 473 146 47 ARG H H 7.814 0.007 . 474 146 47 ARG HA H 4.357 0.023 . 475 146 47 ARG HB2 H 1.912 0.000 . 476 146 47 ARG HB3 H 1.784 0.009 . 477 146 47 ARG HG2 H 1.596 0.014 . 478 146 47 ARG HG3 H 1.596 0.014 . 479 146 47 ARG HD2 H 3.219 0.000 . 480 146 47 ARG HD3 H 3.219 0.000 . 481 146 47 ARG C C 175.537 0.000 . 482 146 47 ARG CA C 55.963 0.081 . 483 146 47 ARG CB C 29.289 0.000 . 484 146 47 ARG N N 119.556 0.131 . 485 149 50 PRO HA H 4.467 0.018 . 486 149 50 PRO HB2 H 2.303 0.015 . 487 149 50 PRO HB3 H 1.976 0.022 . 488 149 50 PRO HD2 H 3.753 0.000 . 489 149 50 PRO HD3 H 3.595 0.000 . 490 149 50 PRO C C 177.074 0.038 . 491 149 50 PRO CA C 63.412 0.021 . 492 149 50 PRO CB C 32.238 0.107 . 493 149 50 PRO CG C 27.317 0.000 . 494 149 50 PRO CD C 50.686 0.000 . 495 150 51 GLY H H 8.139 0.007 . 496 150 51 GLY HA2 H 4.098 0.011 . 497 150 51 GLY C C 171.221 0.000 . 498 150 51 GLY CA C 44.560 0.069 . 499 150 51 GLY N N 108.783 0.159 . 500 151 52 PRO HA H 4.481 0.005 . 501 151 52 PRO HB2 H 2.326 0.004 . 502 151 52 PRO HB3 H 1.977 0.010 . 503 151 52 PRO C C 176.909 0.002 . 504 151 52 PRO CA C 62.663 0.275 . 505 151 52 PRO CB C 32.428 0.074 . 506 151 52 PRO CG C 27.407 0.000 . 507 151 52 PRO CD C 49.622 0.000 . 508 152 53 ALA H H 8.638 0.006 . 509 152 53 ALA HA H 4.250 0.012 . 510 152 53 ALA HB H 1.496 0.007 . 511 152 53 ALA C C 177.242 0.017 . 512 152 53 ALA CA C 53.534 0.120 . 513 152 53 ALA CB C 19.332 0.074 . 514 152 53 ALA N N 124.176 0.088 . 515 153 54 VAL H H 7.655 0.005 . 516 153 54 VAL HA H 4.906 0.015 . 517 153 54 VAL HB H 1.903 0.014 . 518 153 54 VAL HG1 H 0.879 0.013 . 519 153 54 VAL HG2 H 0.798 0.010 . 520 153 54 VAL C C 175.243 0.032 . 521 153 54 VAL CA C 60.323 0.115 . 522 153 54 VAL CB C 34.073 0.067 . 523 153 54 VAL CG1 C 20.952 0.098 . 524 153 54 VAL CG2 C 22.521 0.054 . 525 153 54 VAL N N 116.171 0.138 . 526 154 55 THR H H 8.834 0.008 . 527 154 55 THR HA H 4.547 0.014 . 528 154 55 THR HB H 3.919 0.013 . 529 154 55 THR HG2 H 1.074 0.013 . 530 154 55 THR C C 172.201 0.053 . 531 154 55 THR CA C 60.572 0.096 . 532 154 55 THR CB C 71.880 0.085 . 533 154 55 THR CG2 C 21.735 0.159 . 534 154 55 THR N N 117.976 0.140 . 535 155 56 LEU H H 8.725 0.007 . 536 155 56 LEU HA H 4.435 0.015 . 537 155 56 LEU HB2 H 1.804 0.006 . 538 155 56 LEU HB3 H 1.285 0.013 . 539 155 56 LEU HG H 1.299 0.011 . 540 155 56 LEU HD1 H 0.564 0.010 . 541 155 56 LEU HD2 H 0.485 0.010 . 542 155 56 LEU C C 174.919 0.015 . 543 155 56 LEU CA C 54.200 0.040 . 544 155 56 LEU CB C 43.344 0.050 . 545 155 56 LEU CG C 26.626 0.198 . 546 155 56 LEU CD1 C 24.016 0.111 . 547 155 56 LEU CD2 C 25.601 0.141 . 548 155 56 LEU N N 125.573 0.141 . 549 156 57 MET H H 9.046 0.009 . 550 156 57 MET HA H 4.831 0.012 . 551 156 57 MET HB2 H 1.977 0.011 . 552 156 57 MET HB3 H 1.977 0.011 . 553 156 57 MET HG2 H 2.375 0.002 . 554 156 57 MET HG3 H 2.338 0.004 . 555 156 57 MET C C 174.332 0.004 . 556 156 57 MET CA C 54.277 0.101 . 557 156 57 MET CB C 30.842 0.087 . 558 156 57 MET CG C 31.896 0.000 . 559 156 57 MET N N 129.631 0.076 . 560 157 58 VAL H H 7.392 0.007 . 561 157 58 VAL HA H 4.781 0.018 . 562 157 58 VAL HB H 2.355 0.014 . 563 157 58 VAL HG1 H 0.723 0.009 . 564 157 58 VAL HG2 H 0.570 0.015 . 565 157 58 VAL C C 175.150 0.026 . 566 157 58 VAL CA C 58.419 0.080 . 567 157 58 VAL CB C 36.266 0.204 . 568 157 58 VAL CG1 C 22.607 0.137 . 569 157 58 VAL CG2 C 18.733 0.096 . 570 157 58 VAL N N 114.943 0.116 . 571 158 59 ASP H H 8.917 0.005 . 572 158 59 ASP HA H 4.490 0.011 . 573 158 59 ASP HB2 H 2.756 0.020 . 574 158 59 ASP HB3 H 2.625 0.021 . 575 158 59 ASP C C 177.393 0.051 . 576 158 59 ASP CA C 55.171 0.102 . 577 158 59 ASP CB C 42.484 0.075 . 578 158 59 ASP N N 121.797 0.029 . 579 159 60 GLU H H 8.778 0.005 . 580 159 60 GLU HA H 3.867 0.007 . 581 159 60 GLU HB2 H 2.042 0.019 . 582 159 60 GLU HB3 H 2.042 0.019 . 583 159 60 GLU HG2 H 2.313 0.004 . 584 159 60 GLU HG3 H 2.313 0.004 . 585 159 60 GLU C C 177.007 0.038 . 586 159 60 GLU CA C 59.472 0.115 . 587 159 60 GLU CB C 29.512 0.130 . 588 159 60 GLU CG C 36.213 0.018 . 589 159 60 GLU N N 122.457 0.114 . 590 160 61 SER H H 8.346 0.006 . 591 160 61 SER HA H 4.369 0.016 . 592 160 61 SER HB2 H 4.051 0.007 . 593 160 61 SER HB3 H 3.906 0.016 . 594 160 61 SER C C 174.257 0.032 . 595 160 61 SER CA C 58.486 0.087 . 596 160 61 SER CB C 63.796 0.094 . 597 160 61 SER N N 111.958 0.057 . 598 161 62 CYS H H 7.860 0.007 . 599 161 62 CYS HA H 4.325 0.017 . 600 161 62 CYS HB2 H 3.135 0.008 . 601 161 62 CYS HB3 H 2.677 0.015 . 602 161 62 CYS C C 177.266 0.013 . 603 161 62 CYS CA C 59.255 0.118 . 604 161 62 CYS CB C 27.776 0.071 . 605 161 62 CYS N N 124.230 0.030 . 606 162 63 TRP H H 8.297 0.010 . 607 162 63 TRP HA H 4.261 0.019 . 608 162 63 TRP HB2 H 3.183 0.013 . 609 162 63 TRP HB3 H 2.661 0.014 . 610 162 63 TRP HD1 H 7.233 0.009 . 611 162 63 TRP HE1 H 10.026 0.010 . 612 162 63 TRP HE3 H 7.170 0.012 . 613 162 63 TRP HZ2 H 6.676 0.007 . 614 162 63 TRP HZ3 H 6.458 0.007 . 615 162 63 TRP HH2 H 6.224 0.008 . 616 162 63 TRP C C 176.655 0.028 . 617 162 63 TRP CA C 59.570 0.093 . 618 162 63 TRP CB C 27.763 0.087 . 619 162 63 TRP CD1 C 127.570 0.004 . 620 162 63 TRP CE3 C 119.666 0.002 . 621 162 63 TRP CZ2 C 114.262 0.019 . 622 162 63 TRP CZ3 C 121.824 0.009 . 623 162 63 TRP CH2 C 125.052 0.008 . 624 162 63 TRP N N 132.216 0.125 . 625 162 63 TRP NE1 N 130.680 0.020 . 626 163 64 LEU H H 6.557 0.007 . 627 163 64 LEU HA H 3.156 0.014 . 628 163 64 LEU HB2 H 0.944 0.015 . 629 163 64 LEU HB3 H 0.846 0.018 . 630 163 64 LEU HG H -0.317 0.013 . 631 163 64 LEU HD1 H -0.279 0.007 . 632 163 64 LEU HD2 H -0.789 0.008 . 633 163 64 LEU C C 179.052 0.024 . 634 163 64 LEU CA C 56.800 0.051 . 635 163 64 LEU CB C 41.697 0.045 . 636 163 64 LEU CG C 26.165 0.076 . 637 163 64 LEU CD1 C 23.763 0.061 . 638 163 64 LEU CD2 C 20.098 0.071 . 639 163 64 LEU N N 118.647 0.060 . 640 164 65 ARG H H 7.380 0.007 . 641 164 65 ARG HA H 3.842 0.017 . 642 164 65 ARG HB2 H 1.777 0.015 . 643 164 65 ARG HB3 H 1.777 0.015 . 644 164 65 ARG HG2 H 1.505 0.000 . 645 164 65 ARG HG3 H 1.577 0.002 . 646 164 65 ARG HD2 H 3.188 0.006 . 647 164 65 ARG HD3 H 3.188 0.006 . 648 164 65 ARG C C 176.507 0.003 . 649 164 65 ARG CA C 58.043 0.089 . 650 164 65 ARG CB C 30.289 0.089 . 651 164 65 ARG CG C 28.128 0.000 . 652 164 65 ARG CD C 43.922 0.304 . 653 164 65 ARG N N 114.192 0.069 . 654 165 66 MET H H 7.893 0.007 . 655 165 66 MET HA H 4.394 0.010 . 656 165 66 MET HB2 H 2.740 0.000 . 657 165 66 MET HB3 H 2.271 0.000 . 658 165 66 MET HG2 H 2.786 0.011 . 659 165 66 MET HG3 H 2.665 0.007 . 660 165 66 MET C C 176.330 0.034 . 661 165 66 MET CA C 55.206 0.148 . 662 165 66 MET CB C 33.038 0.171 . 663 165 66 MET CG C 33.341 0.036 . 664 165 66 MET N N 115.197 0.141 . 665 166 67 LEU H H 6.970 0.009 . 666 166 67 LEU HA H 4.432 0.013 . 667 166 67 LEU HB2 H 1.822 0.000 . 668 166 67 LEU HB3 H 1.086 0.001 . 669 166 67 LEU HD1 H 0.916 0.000 . 670 166 67 LEU HD2 H 0.846 0.000 . 671 166 67 LEU C C 174.419 0.000 . 672 166 67 LEU CA C 52.573 0.065 . 673 166 67 LEU CB C 42.127 0.000 . 674 166 67 LEU N N 118.629 0.036 . 675 167 68 PRO HA H 4.540 0.006 . 676 167 68 PRO HB2 H 2.333 0.014 . 677 167 68 PRO HB3 H 1.985 0.113 . 678 167 68 PRO HG2 H 2.014 0.020 . 679 167 68 PRO HG3 H 2.014 0.020 . 680 167 68 PRO HD2 H 3.748 0.011 . 681 167 68 PRO HD3 H 3.664 0.034 . 682 167 68 PRO C C 175.900 0.071 . 683 167 68 PRO CA C 63.100 0.087 . 684 167 68 PRO CB C 31.647 0.101 . 685 167 68 PRO CG C 27.380 0.072 . 686 167 68 PRO CD C 50.875 0.000 . 687 168 69 GLN H H 8.520 0.011 . 688 168 69 GLN HA H 5.512 0.013 . 689 168 69 GLN HB2 H 2.024 0.008 . 690 168 69 GLN HB3 H 1.945 0.014 . 691 168 69 GLN HG2 H 2.156 0.011 . 692 168 69 GLN HG3 H 2.493 0.020 . 693 168 69 GLN HE21 H 8.188 0.005 . 694 168 69 GLN HE22 H 6.698 0.003 . 695 168 69 GLN C C 177.666 0.034 . 696 168 69 GLN CA C 54.104 0.166 . 697 168 69 GLN CB C 29.767 0.065 . 698 168 69 GLN CG C 33.212 0.021 . 699 168 69 GLN N N 122.538 0.081 . 700 168 69 GLN NE2 N 110.028 0.014 . 701 169 70 VAL H H 9.070 0.006 . 702 169 70 VAL HA H 4.859 0.014 . 703 169 70 VAL HB H 2.275 0.015 . 704 169 70 VAL HG1 H 0.907 0.014 . 705 169 70 VAL HG2 H 0.669 0.006 . 706 169 70 VAL C C 176.343 0.025 . 707 169 70 VAL CA C 58.940 0.141 . 708 169 70 VAL CB C 34.611 0.168 . 709 169 70 VAL CG1 C 22.825 0.064 . 710 169 70 VAL CG2 C 18.140 0.047 . 711 169 70 VAL N N 116.078 0.045 . 712 170 71 LEU H H 8.616 0.007 . 713 170 71 LEU HA H 4.592 0.009 . 714 170 71 LEU HB2 H 1.772 0.012 . 715 170 71 LEU HB3 H 1.772 0.012 . 716 170 71 LEU HG H 1.732 0.000 . 717 170 71 LEU HD1 H 0.990 0.019 . 718 170 71 LEU HD2 H 0.933 0.009 . 719 170 71 LEU C C 178.106 0.025 . 720 170 71 LEU CA C 55.888 0.071 . 721 170 71 LEU CB C 43.934 0.180 . 722 170 71 LEU CG C 27.256 0.079 . 723 170 71 LEU CD1 C 25.208 0.130 . 724 170 71 LEU CD2 C 22.843 0.045 . 725 170 71 LEU N N 118.127 0.128 . 726 171 72 THR H H 7.224 0.007 . 727 171 72 THR HA H 4.795 0.017 . 728 171 72 THR HB H 4.641 0.018 . 729 171 72 THR HG2 H 1.233 0.007 . 730 171 72 THR C C 174.293 0.036 . 731 171 72 THR CA C 58.935 0.122 . 732 171 72 THR CB C 71.215 0.075 . 733 171 72 THR CG2 C 21.918 0.018 . 734 171 72 THR N N 106.822 0.241 . 735 172 73 GLU H H 9.059 0.005 . 736 172 73 GLU HA H 3.836 0.012 . 737 172 73 GLU HB2 H 2.035 0.018 . 738 172 73 GLU HB3 H 2.035 0.018 . 739 172 73 GLU HG2 H 2.303 0.005 . 740 172 73 GLU HG3 H 2.303 0.005 . 741 172 73 GLU C C 178.898 0.003 . 742 172 73 GLU CA C 59.547 0.052 . 743 172 73 GLU CB C 29.759 0.233 . 744 172 73 GLU CG C 36.833 0.046 . 745 172 73 GLU N N 121.961 0.109 . 746 173 74 GLU H H 8.683 0.010 . 747 173 74 GLU HA H 3.977 0.016 . 748 173 74 GLU HB2 H 2.051 0.012 . 749 173 74 GLU HB3 H 1.929 0.010 . 750 173 74 GLU HG2 H 2.352 0.014 . 751 173 74 GLU HG3 H 2.277 0.011 . 752 173 74 GLU C C 177.243 0.002 . 753 173 74 GLU CA C 59.538 0.098 . 754 173 74 GLU CB C 29.077 0.255 . 755 173 74 GLU CG C 36.481 0.027 . 756 173 74 GLU N N 117.271 0.085 . 757 174 75 ALA H H 7.246 0.008 . 758 174 75 ALA HA H 4.151 0.019 . 759 174 75 ALA HB H 1.244 0.009 . 760 174 75 ALA C C 177.191 0.015 . 761 174 75 ALA CA C 52.406 0.096 . 762 174 75 ALA CB C 19.554 0.057 . 763 174 75 ALA N N 118.548 0.142 . 764 175 76 ALA H H 7.251 0.006 . 765 175 76 ALA HA H 4.277 0.012 . 766 175 76 ALA HB H 1.614 0.009 . 767 175 76 ALA C C 176.928 0.020 . 768 175 76 ALA CA C 51.969 0.101 . 769 175 76 ALA CB C 21.709 0.081 . 770 175 76 ALA N N 121.587 0.193 . 771 176 77 ASN H H 8.906 0.007 . 772 176 77 ASN HA H 4.831 0.020 . 773 176 77 ASN HB2 H 3.421 0.024 . 774 176 77 ASN HB3 H 2.824 0.009 . 775 176 77 ASN HD21 H 7.905 0.007 . 776 176 77 ASN HD22 H 7.698 0.008 . 777 176 77 ASN C C 176.966 0.000 . 778 176 77 ASN CA C 51.821 0.059 . 779 176 77 ASN CB C 38.915 0.147 . 780 176 77 ASN N N 115.090 0.084 . 781 176 77 ASN ND2 N 110.226 0.063 . 782 177 78 SER H H 8.233 0.009 . 783 177 78 SER HA H 5.768 0.013 . 784 177 78 SER HB2 H 4.213 0.020 . 785 177 78 SER HB3 H 3.770 0.017 . 786 177 78 SER C C 174.000 0.004 . 787 177 78 SER CA C 57.727 0.058 . 788 177 78 SER CB C 66.424 0.085 . 789 177 78 SER N N 108.922 0.030 . 790 178 79 GLU H H 9.621 0.008 . 791 178 79 GLU HA H 5.781 0.016 . 792 178 79 GLU HB2 H 2.105 0.006 . 793 178 79 GLU HB3 H 2.053 0.008 . 794 178 79 GLU HG2 H 2.407 0.010 . 795 178 79 GLU HG3 H 2.286 0.010 . 796 178 79 GLU C C 174.864 0.026 . 797 178 79 GLU CA C 54.313 0.044 . 798 178 79 GLU CB C 33.502 0.021 . 799 178 79 GLU CG C 35.475 0.000 . 800 178 79 GLU N N 119.202 0.123 . 801 179 80 ILE H H 8.330 0.009 . 802 179 80 ILE HA H 5.569 0.010 . 803 179 80 ILE HB H 1.376 0.014 . 804 179 80 ILE HG12 H 1.767 0.015 . 805 179 80 ILE HG2 H 0.742 0.007 . 806 179 80 ILE HD1 H 0.635 0.013 . 807 179 80 ILE C C 173.122 0.042 . 808 179 80 ILE CA C 59.640 0.071 . 809 179 80 ILE CB C 40.847 0.073 . 810 179 80 ILE CG1 C 28.030 0.042 . 811 179 80 ILE CG2 C 18.451 0.106 . 812 179 80 ILE CD1 C 15.936 0.095 . 813 179 80 ILE N N 122.055 0.056 . 814 180 81 TYR H H 8.485 0.014 . 815 180 81 TYR HA H 5.146 0.016 . 816 180 81 TYR HB2 H 3.039 0.015 . 817 180 81 TYR HB3 H 2.773 0.021 . 818 180 81 TYR HD1 H 6.825 0.004 . 819 180 81 TYR HD2 H 6.825 0.004 . 820 180 81 TYR HE1 H 6.446 0.007 . 821 180 81 TYR HE2 H 6.446 0.007 . 822 180 81 TYR C C 171.960 0.001 . 823 180 81 TYR CA C 54.643 0.161 . 824 180 81 TYR CB C 41.379 0.113 . 825 180 81 TYR CD2 C 133.324 0.001 . 826 180 81 TYR CE2 C 117.662 0.000 . 827 180 81 TYR N N 122.320 0.139 . 828 181 82 ARG H H 8.982 0.009 . 829 181 82 ARG HA H 5.237 0.016 . 830 181 82 ARG HB2 H 1.561 0.010 . 831 181 82 ARG HB3 H 1.924 0.008 . 832 181 82 ARG HD2 H 3.244 0.014 . 833 181 82 ARG HD3 H 3.244 0.014 . 834 181 82 ARG C C 176.254 0.018 . 835 181 82 ARG CA C 54.638 0.098 . 836 181 82 ARG CB C 32.537 0.078 . 837 181 82 ARG CG C 27.570 0.000 . 838 181 82 ARG CD C 43.671 0.022 . 839 181 82 ARG N N 121.212 0.140 . 840 182 83 LYS H H 9.295 0.010 . 841 182 83 LYS HA H 4.527 0.010 . 842 182 83 LYS HB2 H 1.763 0.015 . 843 182 83 LYS HB3 H 1.679 0.009 . 844 182 83 LYS HG2 H 1.362 0.015 . 845 182 83 LYS HG3 H 1.179 0.015 . 846 182 83 LYS HD2 H 1.464 0.007 . 847 182 83 LYS HD3 H 1.234 0.012 . 848 182 83 LYS HE2 H 2.557 0.023 . 849 182 83 LYS HE3 H 2.557 0.023 . 850 182 83 LYS C C 175.574 0.138 . 851 182 83 LYS CA C 56.775 0.065 . 852 182 83 LYS CB C 35.250 0.086 . 853 182 83 LYS CG C 24.628 0.078 . 854 182 83 LYS CD C 29.388 0.033 . 855 182 83 LYS CE C 41.683 0.121 . 856 182 83 LYS N N 127.593 0.071 . 857 183 84 ASP H H 9.479 0.014 . 858 183 84 ASP HA H 4.284 0.011 . 859 183 84 ASP HB2 H 2.955 0.010 . 860 183 84 ASP HB3 H 2.955 0.010 . 861 183 84 ASP C C 175.070 0.023 . 862 183 84 ASP CA C 56.480 0.126 . 863 183 84 ASP CB C 39.068 0.049 . 864 183 84 ASP N N 127.652 0.189 . 865 184 85 ASP H H 8.835 0.012 . 866 184 85 ASP HA H 4.449 0.018 . 867 184 85 ASP HB2 H 2.996 0.017 . 868 184 85 ASP HB3 H 2.824 0.017 . 869 184 85 ASP C C 174.163 0.002 . 870 184 85 ASP CA C 55.076 0.100 . 871 184 85 ASP CB C 40.167 0.053 . 872 184 85 ASP N N 115.373 0.135 . 873 185 86 ALA H H 7.907 0.006 . 874 185 86 ALA HA H 4.736 0.019 . 875 185 86 ALA HB H 1.261 0.013 . 876 185 86 ALA C C 174.769 0.030 . 877 185 86 ALA CA C 50.953 0.150 . 878 185 86 ALA CB C 23.287 0.097 . 879 185 86 ALA N N 121.204 0.131 . 880 186 87 LEU H H 8.700 0.008 . 881 186 87 LEU HA H 5.202 0.019 . 882 186 87 LEU HB2 H 1.492 0.015 . 883 186 87 LEU HB3 H 0.877 0.020 . 884 186 87 LEU HG H 1.317 0.014 . 885 186 87 LEU HD1 H 0.499 0.012 . 886 186 87 LEU HD2 H 0.287 0.011 . 887 186 87 LEU C C 175.730 0.037 . 888 186 87 LEU CA C 53.001 0.063 . 889 186 87 LEU CB C 44.217 0.064 . 890 186 87 LEU CG C 26.432 0.013 . 891 186 87 LEU CD1 C 22.362 0.089 . 892 186 87 LEU CD2 C 26.162 0.170 . 893 186 87 LEU N N 116.380 0.097 . 894 187 88 TRP H H 8.502 0.008 . 895 187 88 TRP HA H 4.899 0.017 . 896 187 88 TRP HB2 H 3.032 0.011 . 897 187 88 TRP HB3 H 1.835 0.006 . 898 187 88 TRP HD1 H 6.878 0.003 . 899 187 88 TRP HE1 H 10.240 0.011 . 900 187 88 TRP HE3 H 7.326 0.007 . 901 187 88 TRP HZ2 H 7.373 0.006 . 902 187 88 TRP HZ3 H 6.809 0.009 . 903 187 88 TRP HH2 H 7.048 0.005 . 904 187 88 TRP C C 173.711 0.023 . 905 187 88 TRP CA C 55.619 0.082 . 906 187 88 TRP CB C 32.305 0.134 . 907 187 88 TRP CD1 C 127.215 0.001 . 908 187 88 TRP CE3 C 120.005 0.000 . 909 187 88 TRP CZ2 C 113.918 0.000 . 910 187 88 TRP CZ3 C 121.745 0.001 . 911 187 88 TRP CH2 C 124.300 0.016 . 912 187 88 TRP N N 119.386 0.171 . 913 187 88 TRP NE1 N 129.708 0.008 . 914 188 89 CYS H H 9.296 0.008 . 915 188 89 CYS HA H 5.980 0.010 . 916 188 89 CYS HB2 H 3.114 0.010 . 917 188 89 CYS HB3 H 2.602 0.011 . 918 188 89 CYS C C 173.044 0.103 . 919 188 89 CYS CA C 55.965 0.170 . 920 188 89 CYS CB C 30.255 0.120 . 921 188 89 CYS N N 120.281 0.112 . 922 189 90 ARG H H 9.656 0.006 . 923 189 90 ARG HA H 5.763 0.012 . 924 189 90 ARG HB2 H 2.046 0.013 . 925 189 90 ARG HB3 H 1.855 0.030 . 926 189 90 ARG HG2 H 1.617 0.002 . 927 189 90 ARG HG3 H 1.451 0.011 . 928 189 90 ARG HD2 H 3.121 0.000 . 929 189 90 ARG HD3 H 3.071 0.014 . 930 189 90 ARG C C 174.909 0.072 . 931 189 90 ARG CA C 53.595 0.129 . 932 189 90 ARG CB C 35.422 0.092 . 933 189 90 ARG CG C 27.114 0.000 . 934 189 90 ARG CD C 43.530 0.042 . 935 189 90 ARG N N 127.412 0.146 . 936 190 91 VAL H H 9.007 0.008 . 937 190 91 VAL HA H 4.385 0.018 . 938 190 91 VAL HB H 2.180 0.014 . 939 190 91 VAL HG1 H 1.159 0.010 . 940 190 91 VAL HG2 H 1.159 0.010 . 941 190 91 VAL C C 178.228 0.057 . 942 190 91 VAL CA C 63.620 0.098 . 943 190 91 VAL CB C 32.536 0.162 . 944 190 91 VAL CG1 C 23.950 0.314 . 945 190 91 VAL CG2 C 24.062 0.000 . 946 190 91 VAL N N 126.214 0.159 . 947 191 92 THR H H 8.978 0.012 . 948 191 92 THR HA H 4.405 0.012 . 949 191 92 THR HB H 4.296 0.010 . 950 191 92 THR HG2 H 1.011 0.008 . 951 191 92 THR C C 174.280 0.021 . 952 191 92 THR CA C 62.039 0.041 . 953 191 92 THR CB C 68.849 0.114 . 954 191 92 THR CG2 C 22.818 0.089 . 955 191 92 THR N N 120.028 0.123 . 956 192 93 LYS H H 7.601 0.006 . 957 192 93 LYS HA H 4.611 0.015 . 958 192 93 LYS HB2 H 2.061 0.011 . 959 192 93 LYS HB3 H 1.525 0.018 . 960 192 93 LYS HG2 H 1.470 0.006 . 961 192 93 LYS HG3 H 1.470 0.006 . 962 192 93 LYS HE2 H 3.159 0.000 . 963 192 93 LYS HE3 H 3.159 0.000 . 964 192 93 LYS C C 172.664 0.033 . 965 192 93 LYS CA C 54.687 0.182 . 966 192 93 LYS CB C 36.283 0.216 . 967 192 93 LYS CG C 24.602 0.003 . 968 192 93 LYS CD C 29.373 0.000 . 969 192 93 LYS CE C 42.819 0.000 . 970 192 93 LYS N N 121.245 0.132 . 971 193 94 VAL H H 8.041 0.008 . 972 193 94 VAL HA H 4.072 0.013 . 973 193 94 VAL HB H 1.956 0.015 . 974 193 94 VAL HG1 H 1.107 0.009 . 975 193 94 VAL HG2 H 0.883 0.011 . 976 193 94 VAL C C 177.044 0.000 . 977 193 94 VAL CA C 63.908 0.075 . 978 193 94 VAL CB C 31.718 0.058 . 979 193 94 VAL CG1 C 22.627 0.084 . 980 193 94 VAL CG2 C 20.778 0.117 . 981 193 94 VAL N N 116.146 0.105 . 982 194 95 VAL H H 8.061 0.008 . 983 194 95 VAL HA H 4.651 0.037 . 984 194 95 VAL HB H 2.010 0.023 . 985 194 95 VAL HG1 H 1.155 0.008 . 986 194 95 VAL HG2 H 0.964 0.003 . 987 194 95 VAL C C 173.263 0.000 . 988 194 95 VAL CA C 58.747 0.057 . 989 194 95 VAL CB C 34.609 0.124 . 990 194 95 VAL CG1 C 20.608 0.020 . 991 194 95 VAL N N 129.003 0.213 . 992 195 96 PRO HA H 4.498 0.004 . 993 195 96 PRO HB2 H 2.305 0.017 . 994 195 96 PRO HB3 H 1.918 0.011 . 995 195 96 PRO C C 175.914 0.051 . 996 195 96 PRO CA C 61.990 0.009 . 997 195 96 PRO CB C 32.148 0.080 . 998 195 96 PRO CG C 27.114 0.000 . 999 195 96 PRO CD C 50.889 0.000 . 1000 196 97 SER H H 8.192 0.006 . 1001 196 97 SER HA H 3.441 0.017 . 1002 196 97 SER HB2 H 3.719 0.015 . 1003 196 97 SER HB3 H 3.719 0.015 . 1004 196 97 SER C C 176.302 0.037 . 1005 196 97 SER CA C 60.396 0.092 . 1006 196 97 SER CB C 62.734 0.131 . 1007 196 97 SER N N 114.004 0.050 . 1008 197 98 GLY H H 8.741 0.008 . 1009 197 98 GLY HA2 H 4.319 0.010 . 1010 197 98 GLY HA3 H 3.513 0.003 . 1011 197 98 GLY C C 174.257 0.018 . 1012 197 98 GLY CA C 45.198 0.056 . 1013 197 98 GLY N N 116.467 0.082 . 1014 198 99 GLY H H 8.863 0.008 . 1015 198 99 GLY HA2 H 4.112 0.006 . 1016 198 99 GLY HA3 H 3.523 0.009 . 1017 198 99 GLY C C 172.252 0.029 . 1018 198 99 GLY CA C 44.867 0.066 . 1019 198 99 GLY N N 109.849 0.067 . 1020 199 100 LEU H H 8.058 0.005 . 1021 199 100 LEU HA H 4.696 0.009 . 1022 199 100 LEU HB2 H 1.587 0.000 . 1023 199 100 LEU HB3 H 1.291 0.011 . 1024 199 100 LEU HD1 H 0.951 0.010 . 1025 199 100 LEU HD2 H 0.761 0.006 . 1026 199 100 LEU C C 177.634 0.005 . 1027 199 100 LEU CA C 55.030 0.162 . 1028 199 100 LEU CB C 42.253 0.152 . 1029 199 100 LEU CG C 28.736 0.000 . 1030 199 100 LEU CD1 C 24.547 0.034 . 1031 199 100 LEU N N 121.635 0.165 . 1032 200 101 LEU H H 7.405 0.008 . 1033 200 101 LEU HA H 4.930 0.017 . 1034 200 101 LEU HB2 H 1.463 0.027 . 1035 200 101 LEU HB3 H 1.354 0.019 . 1036 200 101 LEU HG H 1.660 0.017 . 1037 200 101 LEU HD1 H 0.930 0.004 . 1038 200 101 LEU HD2 H 0.737 0.011 . 1039 200 101 LEU C C 175.286 0.025 . 1040 200 101 LEU CA C 54.772 0.031 . 1041 200 101 LEU CB C 44.270 0.072 . 1042 200 101 LEU CG C 29.724 0.066 . 1043 200 101 LEU CD1 C 25.236 0.112 . 1044 200 101 LEU N N 121.810 0.149 . 1045 201 102 TYR H H 9.097 0.006 . 1046 201 102 TYR HA H 4.757 0.005 . 1047 201 102 TYR HB2 H 2.804 0.022 . 1048 201 102 TYR HB3 H 2.860 0.009 . 1049 201 102 TYR HD1 H 6.978 0.004 . 1050 201 102 TYR HD2 H 6.978 0.004 . 1051 201 102 TYR HE1 H 6.770 0.005 . 1052 201 102 TYR HE2 H 6.770 0.005 . 1053 201 102 TYR C C 175.450 0.014 . 1054 201 102 TYR CA C 57.667 0.111 . 1055 201 102 TYR CB C 42.420 0.058 . 1056 201 102 TYR CD1 C 133.454 0.016 . 1057 201 102 TYR CE1 C 117.981 0.000 . 1058 201 102 TYR N N 119.080 0.096 . 1059 202 103 VAL H H 9.190 0.007 . 1060 202 103 VAL HA H 5.288 0.010 . 1061 202 103 VAL HB H 1.692 0.016 . 1062 202 103 VAL HG1 H 0.943 0.005 . 1063 202 103 VAL HG2 H 0.751 0.012 . 1064 202 103 VAL C C 172.002 0.008 . 1065 202 103 VAL CA C 58.901 0.789 . 1066 202 103 VAL CB C 36.842 0.106 . 1067 202 103 VAL CG1 C 24.152 0.129 . 1068 202 103 VAL CG2 C 21.376 0.161 . 1069 202 103 VAL N N 126.404 0.115 . 1070 203 104 ARG H H 8.172 0.008 . 1071 203 104 ARG HA H 5.182 0.015 . 1072 203 104 ARG HB2 H 1.861 0.017 . 1073 203 104 ARG HB3 H 1.447 0.012 . 1074 203 104 ARG HG2 H 1.539 0.000 . 1075 203 104 ARG HG3 H 1.393 0.000 . 1076 203 104 ARG HD2 H 3.120 0.006 . 1077 203 104 ARG HD3 H 3.120 0.006 . 1078 203 104 ARG C C 175.399 0.012 . 1079 203 104 ARG CA C 53.671 0.062 . 1080 203 104 ARG CB C 34.863 0.117 . 1081 203 104 ARG CG C 28.227 0.038 . 1082 203 104 ARG CD C 43.488 0.000 . 1083 203 104 ARG N N 126.705 0.148 . 1084 204 105 LEU H H 8.779 0.008 . 1085 204 105 LEU HA H 4.597 0.018 . 1086 204 105 LEU HB2 H 1.818 0.017 . 1087 204 105 LEU HB3 H 1.089 0.012 . 1088 204 105 LEU HG H 1.528 0.000 . 1089 204 105 LEU HD1 H 0.741 0.007 . 1090 204 105 LEU HD2 H 0.741 0.007 . 1091 204 105 LEU C C 175.703 0.057 . 1092 204 105 LEU CA C 54.272 0.058 . 1093 204 105 LEU CB C 40.785 0.099 . 1094 204 105 LEU CG C 27.520 0.000 . 1095 204 105 LEU CD1 C 25.270 0.030 . 1096 204 105 LEU N N 124.736 0.196 . 1097 205 106 VAL H H 8.847 0.008 . 1098 205 106 VAL HA H 4.100 0.010 . 1099 205 106 VAL HB H 2.279 0.007 . 1100 205 106 VAL C C 175.724 0.024 . 1101 205 106 VAL CA C 63.105 0.113 . 1102 205 106 VAL CB C 32.380 0.181 . 1103 205 106 VAL CG1 C 21.487 0.000 . 1104 205 106 VAL N N 126.242 0.065 . 1105 206 107 THR H H 8.152 0.013 . 1106 206 107 THR HA H 4.357 0.010 . 1107 206 107 THR HB H 4.205 0.011 . 1108 206 107 THR HG2 H 1.170 0.000 . 1109 206 107 THR C C 174.554 0.040 . 1110 206 107 THR CA C 61.378 0.079 . 1111 206 107 THR CB C 69.877 0.133 . 1112 206 107 THR N N 117.425 0.243 . 1113 207 108 GLU H H 8.205 0.013 . 1114 207 108 GLU HA H 4.426 0.000 . 1115 207 108 GLU CA C 54.564 0.054 . 1116 207 108 GLU CB C 29.469 0.000 . 1117 207 108 GLU N N 123.543 0.140 . 1118 210 111 GLY HA2 H 3.889 0.004 . 1119 210 111 GLY HA3 H 3.889 0.004 . 1120 210 111 GLY C C 173.289 0.000 . 1121 210 111 GLY CA C 45.022 0.022 . 1122 211 112 ALA H H 8.108 0.010 . 1123 211 112 ALA HA H 4.591 0.007 . 1124 211 112 ALA HB H 1.352 0.009 . 1125 211 112 ALA CA C 50.442 0.060 . 1126 211 112 ALA CB C 18.119 0.041 . 1127 211 112 ALA N N 125.193 0.141 . 1128 219 120 PRO HA H 4.438 0.005 . 1129 219 120 PRO HB2 H 2.272 0.007 . 1130 219 120 PRO HB3 H 1.841 0.011 . 1131 219 120 PRO C C 176.795 0.000 . 1132 219 120 PRO CA C 62.941 0.041 . 1133 219 120 PRO CB C 31.968 0.000 . 1134 220 121 VAL H H 8.188 0.007 . 1135 220 121 VAL HA H 4.106 0.011 . 1136 220 121 VAL HB H 2.043 0.007 . 1137 220 121 VAL HG1 H 0.943 0.007 . 1138 220 121 VAL C C 175.889 0.183 . 1139 220 121 VAL CA C 62.035 0.089 . 1140 220 121 VAL CB C 32.842 0.084 . 1141 220 121 VAL CG1 C 20.977 0.033 . 1142 220 121 VAL N N 120.453 0.148 . 1143 221 122 GLU H H 8.473 0.010 . 1144 221 122 GLU HA H 4.624 0.008 . 1145 221 122 GLU HB2 H 2.060 0.000 . 1146 221 122 GLU HB3 H 1.901 0.000 . 1147 221 122 GLU HG2 H 2.279 0.009 . 1148 221 122 GLU HG3 H 2.279 0.009 . 1149 221 122 GLU C C 174.647 0.000 . 1150 221 122 GLU CA C 54.194 0.072 . 1151 221 122 GLU CB C 29.494 0.000 . 1152 221 122 GLU CG C 35.800 0.000 . 1153 221 122 GLU N N 126.286 0.166 . 1154 222 123 PRO HA H 4.399 0.006 . 1155 222 123 PRO HB2 H 2.333 0.001 . 1156 222 123 PRO HB3 H 1.967 0.000 . 1157 222 123 PRO C C 177.800 0.000 . 1158 222 123 PRO CA C 63.817 0.250 . 1159 222 123 PRO CB C 31.940 0.126 . 1160 222 123 PRO CG C 27.469 0.000 . 1161 222 123 PRO CD C 50.686 0.000 . 1162 223 124 GLY H H 8.537 0.012 . 1163 223 124 GLY HA2 H 3.981 0.019 . 1164 223 124 GLY HA3 H 3.981 0.019 . 1165 223 124 GLY C C 174.876 0.000 . 1166 223 124 GLY CA C 45.329 0.066 . 1167 223 124 GLY N N 109.659 0.186 . 1168 224 125 GLY H H 8.257 0.006 . 1169 224 125 GLY HA2 H 4.008 0.000 . 1170 224 125 GLY HA3 H 3.907 0.035 . 1171 224 125 GLY C C 173.972 0.000 . 1172 224 125 GLY CA C 45.186 0.058 . 1173 224 125 GLY N N 108.910 0.172 . 1174 225 126 LEU H H 8.109 0.011 . 1175 225 126 LEU HA H 4.362 0.009 . 1176 225 126 LEU HB2 H 1.600 0.007 . 1177 225 126 LEU HB3 H 1.600 0.007 . 1178 225 126 LEU HD1 H 0.935 0.000 . 1179 225 126 LEU HD2 H 0.878 0.000 . 1180 225 126 LEU C C 176.883 0.000 . 1181 225 126 LEU CA C 54.765 0.077 . 1182 225 126 LEU CB C 42.492 0.095 . 1183 225 126 LEU N N 121.779 0.049 . 1184 226 127 ALA H H 8.263 0.006 . 1185 226 127 ALA HA H 4.582 0.016 . 1186 226 127 ALA HB H 1.355 0.013 . 1187 226 127 ALA CA C 50.331 0.093 . 1188 226 127 ALA CB C 18.136 0.047 . 1189 226 127 ALA N N 126.791 0.206 . stop_ save_