data_19225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the carbohydrate binding module of the muscle glycogen-targeting subunit of Protein Phosphatase-1 ; _BMRB_accession_number 19225 _BMRB_flat_file_name bmr19225.str _Entry_type original _Submission_date 2013-05-03 _Accession_date 2013-05-03 _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 Koveal Dorothy . . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 818 "13C chemical shifts" 422 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19223 'PTP1B (residues 1-301)' 19224 'PTP1B (residues 1-393)' stop_ _Original_release_date 2014-05-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular basis for Protein Phosphatase-1 regulation by the muscle glycogen-targeting subunit GM' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koveal Dorothy . . 2 Choy Meng . . 3 Page Rebecca . . 4 Peti Wolfgang . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GM_CBM21 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GM_CBM21 $GM_CBM21 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_GM_CBM21 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GM_CBM21 _Molecular_mass 15998.133 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GHMQTEEYVLSPLFDLPASK EDLMQQLQVQKAMLESTEYV PGSTSMKGIIRVLNISFEKL VYVRMSLDDWQTHYDILAEY VPNSCDGETDQFSFKISLVP PYQKDGSKVEFCIRYETSVG TFWSNNNGTNYTLVCQKKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 99 GLY 2 100 HIS 3 101 MET 4 102 GLN 5 103 THR 6 104 GLU 7 105 GLU 8 106 TYR 9 107 VAL 10 108 LEU 11 109 SER 12 110 PRO 13 111 LEU 14 112 PHE 15 113 ASP 16 114 LEU 17 115 PRO 18 116 ALA 19 117 SER 20 118 LYS 21 119 GLU 22 120 ASP 23 121 LEU 24 122 MET 25 123 GLN 26 124 GLN 27 125 LEU 28 126 GLN 29 127 VAL 30 128 GLN 31 129 LYS 32 130 ALA 33 131 MET 34 132 LEU 35 133 GLU 36 134 SER 37 135 THR 38 136 GLU 39 137 TYR 40 138 VAL 41 139 PRO 42 140 GLY 43 141 SER 44 142 THR 45 143 SER 46 144 MET 47 145 LYS 48 146 GLY 49 147 ILE 50 148 ILE 51 149 ARG 52 150 VAL 53 151 LEU 54 152 ASN 55 153 ILE 56 154 SER 57 155 PHE 58 156 GLU 59 157 LYS 60 158 LEU 61 159 VAL 62 160 TYR 63 161 VAL 64 162 ARG 65 163 MET 66 164 SER 67 165 LEU 68 166 ASP 69 167 ASP 70 168 TRP 71 169 GLN 72 170 THR 73 171 HIS 74 172 TYR 75 173 ASP 76 174 ILE 77 175 LEU 78 176 ALA 79 177 GLU 80 178 TYR 81 179 VAL 82 180 PRO 83 181 ASN 84 182 SER 85 183 CYS 86 184 ASP 87 185 GLY 88 186 GLU 89 187 THR 90 188 ASP 91 189 GLN 92 190 PHE 93 191 SER 94 192 PHE 95 193 LYS 96 194 ILE 97 195 SER 98 196 LEU 99 197 VAL 100 198 PRO 101 199 PRO 102 200 TYR 103 201 GLN 104 202 LYS 105 203 ASP 106 204 GLY 107 205 SER 108 206 LYS 109 207 VAL 110 208 GLU 111 209 PHE 112 210 CYS 113 211 ILE 114 212 ARG 115 213 TYR 116 214 GLU 117 215 THR 118 216 SER 119 217 VAL 120 218 GLY 121 219 THR 122 220 PHE 123 221 TRP 124 222 SER 125 223 ASN 126 224 ASN 127 225 ASN 128 226 GLY 129 227 THR 130 228 ASN 131 229 TYR 132 230 THR 133 231 LEU 134 232 VAL 135 233 CYS 136 234 GLN 137 235 LYS 138 236 LYS 139 237 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M83 "Solution Structure Of The Carbohydrate Binding Module Of The Muscle Glycogen-targeting Subunit Of Protein Phosphatase-1" 100.00 139 100.00 100.00 1.33e-98 GB AAA31462 "protein phosphatase regulatory subunit [Oryctolagus cuniculus]" 97.84 1109 100.00 100.00 2.37e-88 REF NP_001075772 "protein phosphatase 1 regulatory subunit 3A [Oryctolagus cuniculus]" 97.84 1109 100.00 100.00 2.37e-88 SP Q00756 "RecName: Full=Protein phosphatase 1 regulatory subunit 3A; AltName: Full=Protein phosphatase 1 glycogen-associated regulatory s" 97.84 1109 100.00 100.00 2.37e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GM_CBM21 Rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $GM_CBM21 'recombinant technology' . Escherichia coli . pRP1B 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 $GM_CBM21 0.8 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GM_CBM21 0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GM_CBM21 0.8 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA_2.1 _Saveframe_category software _Name CYANA _Version 2.1 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 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 70 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D (H)CC(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GM_CBM21 _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 1 101 3 MET HA H 4.405 0.010 1 2 101 3 MET HB2 H 2.000 0.010 2 3 101 3 MET HB3 H 1.917 0.010 2 4 101 3 MET HG2 H 2.472 0.010 2 5 101 3 MET HG3 H 2.406 0.010 2 6 101 3 MET CA C 55.657 0.200 1 7 101 3 MET CB C 32.655 0.200 1 8 101 3 MET CG C 31.834 0.200 1 9 102 4 GLN H H 8.489 0.010 1 10 102 4 GLN HA H 4.371 0.010 1 11 102 4 GLN HB2 H 2.077 0.010 2 12 102 4 GLN HB3 H 1.985 0.010 2 13 102 4 GLN HG2 H 2.330 0.010 2 14 102 4 GLN HG3 H 2.330 0.010 2 15 102 4 GLN CA C 55.931 0.200 1 16 102 4 GLN CB C 29.369 0.200 1 17 102 4 GLN CG C 33.750 0.200 1 18 102 4 GLN N N 122.307 0.050 1 19 103 5 THR H H 8.182 0.010 1 20 103 5 THR HA H 4.296 0.010 1 21 103 5 THR HB H 4.163 0.010 1 22 103 5 THR HG2 H 1.149 0.010 1 23 103 5 THR CA C 61.955 0.200 1 24 103 5 THR CB C 69.897 0.200 1 25 103 5 THR CG2 C 21.702 0.200 1 26 103 5 THR N N 116.150 0.050 1 27 104 6 GLU H H 8.423 0.010 1 28 104 6 GLU HA H 4.281 0.010 1 29 104 6 GLU HB2 H 1.843 0.010 2 30 104 6 GLU HB3 H 1.843 0.010 2 31 104 6 GLU HG2 H 2.199 0.010 2 32 104 6 GLU HG3 H 2.199 0.010 2 33 104 6 GLU CA C 56.205 0.200 1 34 104 6 GLU CB C 30.464 0.200 1 35 104 6 GLU CG C 36.215 0.200 1 36 104 6 GLU N N 123.445 0.050 1 37 105 7 GLU H H 8.340 0.010 1 38 105 7 GLU HA H 4.351 0.010 1 39 105 7 GLU HB2 H 1.789 0.010 2 40 105 7 GLU HB3 H 1.789 0.010 2 41 105 7 GLU HG2 H 2.114 0.010 2 42 105 7 GLU HG3 H 1.989 0.010 2 43 105 7 GLU CA C 55.931 0.200 1 44 105 7 GLU CB C 32.107 0.200 1 45 105 7 GLU CG C 36.489 0.200 1 46 105 7 GLU N N 122.562 0.050 1 47 106 8 TYR H H 8.287 0.010 1 48 106 8 TYR HA H 5.020 0.010 1 49 106 8 TYR HB2 H 2.699 0.010 2 50 106 8 TYR HB3 H 2.432 0.010 2 51 106 8 TYR CA C 57.300 0.200 1 52 106 8 TYR CB C 41.692 0.200 1 53 106 8 TYR N N 120.557 0.050 1 54 107 9 VAL H H 9.187 0.010 1 55 107 9 VAL HA H 4.613 0.010 1 56 107 9 VAL HB H 2.015 0.010 1 57 107 9 VAL HG1 H 0.816 0.010 2 58 107 9 VAL HG2 H 0.771 0.010 2 59 107 9 VAL CA C 59.491 0.200 1 60 107 9 VAL CB C 35.393 0.200 1 61 107 9 VAL CG1 C 21.154 0.200 1 62 107 9 VAL CG2 C 19.511 0.200 1 63 107 9 VAL N N 117.827 0.050 1 64 108 10 LEU H H 8.287 0.010 1 65 108 10 LEU HA H 5.007 0.010 1 66 108 10 LEU HB2 H 1.658 0.010 2 67 108 10 LEU HB3 H 1.327 0.010 2 68 108 10 LEU HG H 1.496 0.010 1 69 108 10 LEU HD1 H 0.741 0.010 2 70 108 10 LEU HD2 H 0.692 0.010 2 71 108 10 LEU CA C 53.193 0.200 1 72 108 10 LEU CB C 43.882 0.200 1 73 108 10 LEU CG C 26.905 0.200 1 74 108 10 LEU CD1 C 25.262 0.200 1 75 108 10 LEU CD2 C 23.619 0.200 1 76 108 10 LEU N N 122.337 0.050 1 77 109 11 SER H H 8.974 0.010 1 78 109 11 SER HA H 4.851 0.010 1 79 109 11 SER HB2 H 3.729 0.010 2 80 109 11 SER HB3 H 3.514 0.010 2 81 109 11 SER CA C 54.562 0.200 1 82 109 11 SER CB C 64.420 0.200 1 83 109 11 SER N N 118.013 0.050 1 84 110 12 PRO HA H 4.643 0.010 1 85 110 12 PRO HB2 H 3.082 0.010 2 86 110 12 PRO HB3 H 3.082 0.010 2 87 110 12 PRO HG2 H 3.130 0.010 2 88 110 12 PRO HG3 H 3.130 0.010 2 89 110 12 PRO CA C 55.902 0.200 1 90 110 12 PRO CB C 30.672 0.200 1 91 110 12 PRO CG C 30.672 0.200 1 92 111 13 LEU H H 8.460 0.010 1 93 111 13 LEU HA H 4.664 0.010 1 94 111 13 LEU HB2 H 1.779 0.010 2 95 111 13 LEU HB3 H 1.654 0.010 2 96 111 13 LEU HG H 1.500 0.010 1 97 111 13 LEU HD1 H 0.839 0.010 2 98 111 13 LEU HD2 H 0.769 0.010 2 99 111 13 LEU CA C 53.193 0.200 1 100 111 13 LEU CB C 40.870 0.200 1 101 111 13 LEU CG C 26.905 0.200 1 102 111 13 LEU CD1 C 25.535 0.200 1 103 111 13 LEU CD2 C 22.523 0.200 1 104 111 13 LEU N N 122.242 0.050 1 105 112 14 PHE H H 6.530 0.010 1 106 112 14 PHE HA H 4.976 0.010 1 107 112 14 PHE HB2 H 3.445 0.010 2 108 112 14 PHE HB3 H 3.185 0.010 2 109 112 14 PHE HD1 H 7.340 0.010 1 110 112 14 PHE HD2 H 7.340 0.010 1 111 112 14 PHE HE1 H 7.211 0.010 1 112 112 14 PHE HE2 H 7.211 0.010 1 113 112 14 PHE CA C 54.288 0.200 1 114 112 14 PHE CB C 40.596 0.200 1 115 112 14 PHE N N 114.591 0.050 1 116 113 15 ASP H H 8.851 0.010 1 117 113 15 ASP HA H 4.982 0.010 1 118 113 15 ASP HB2 H 2.716 0.010 2 119 113 15 ASP HB3 H 2.525 0.010 2 120 113 15 ASP CA C 52.919 0.200 1 121 113 15 ASP CB C 43.335 0.200 1 122 113 15 ASP N N 120.637 0.050 1 123 114 16 LEU H H 8.588 0.010 1 124 114 16 LEU HA H 4.831 0.010 1 125 114 16 LEU HB2 H 1.684 0.010 2 126 114 16 LEU HB3 H 1.473 0.010 2 127 114 16 LEU HG H 1.975 0.010 1 128 114 16 LEU HD1 H 1.053 0.010 2 129 114 16 LEU HD2 H 0.959 0.010 2 130 114 16 LEU CA C 52.919 0.200 1 131 114 16 LEU CB C 41.144 0.200 1 132 114 16 LEU CG C 26.631 0.200 1 133 114 16 LEU CD1 C 26.083 0.200 1 134 114 16 LEU CD2 C 22.523 0.200 1 135 114 16 LEU N N 122.704 0.050 1 136 115 17 PRO HA H 4.447 0.010 1 137 115 17 PRO HB2 H 2.195 0.010 2 138 115 17 PRO HB3 H 1.905 0.010 2 139 115 17 PRO HG2 H 2.092 0.010 2 140 115 17 PRO HG3 H 2.092 0.010 2 141 115 17 PRO HD2 H 3.967 0.010 2 142 115 17 PRO HD3 H 3.741 0.010 2 143 115 17 PRO CA C 63.598 0.200 1 144 115 17 PRO CB C 31.560 0.200 1 145 115 17 PRO CG C 28.274 0.200 1 146 115 17 PRO CD C 50.181 0.200 1 147 116 18 ALA H H 9.280 0.010 1 148 116 18 ALA HA H 4.224 0.010 1 149 116 18 ALA HB H 1.496 0.010 1 150 116 18 ALA CA C 53.740 0.200 1 151 116 18 ALA CB C 19.511 0.200 1 152 116 18 ALA N N 126.266 0.050 1 153 117 19 SER H H 7.564 0.010 1 154 117 19 SER HA H 4.727 0.010 1 155 117 19 SER HB2 H 4.207 0.010 2 156 117 19 SER HB3 H 3.984 0.010 2 157 117 19 SER CA C 56.205 0.200 1 158 117 19 SER CB C 66.611 0.200 1 159 117 19 SER N N 108.944 0.050 1 160 118 20 LYS H H 9.075 0.010 1 161 118 20 LYS HA H 4.020 0.010 1 162 118 20 LYS HB2 H 1.883 0.010 2 163 118 20 LYS HB3 H 1.757 0.010 2 164 118 20 LYS HG2 H 1.395 0.010 2 165 118 20 LYS HG3 H 1.395 0.010 2 166 118 20 LYS HD2 H 1.620 0.010 2 167 118 20 LYS HD3 H 1.620 0.010 2 168 118 20 LYS HE2 H 2.899 0.010 2 169 118 20 LYS HE3 H 2.899 0.010 2 170 118 20 LYS CA C 59.217 0.200 1 171 118 20 LYS CB C 31.560 0.200 1 172 118 20 LYS CG C 24.988 0.200 1 173 118 20 LYS CD C 29.095 0.200 1 174 118 20 LYS CE C 42.239 0.200 1 175 118 20 LYS N N 123.715 0.050 1 176 119 21 GLU H H 8.670 0.010 1 177 119 21 GLU HA H 3.936 0.010 1 178 119 21 GLU HB2 H 2.036 0.010 2 179 119 21 GLU HB3 H 1.892 0.010 2 180 119 21 GLU HG2 H 2.395 0.010 2 181 119 21 GLU HG3 H 2.205 0.010 2 182 119 21 GLU CA C 60.586 0.200 1 183 119 21 GLU CB C 28.821 0.200 1 184 119 21 GLU CG C 37.036 0.200 1 185 119 21 GLU N N 119.273 0.050 1 186 120 22 ASP H H 7.834 0.010 1 187 120 22 ASP HA H 4.418 0.010 1 188 120 22 ASP HB2 H 2.709 0.010 2 189 120 22 ASP HB3 H 2.709 0.010 2 190 120 22 ASP CA C 57.300 0.200 1 191 120 22 ASP CB C 41.418 0.200 1 192 120 22 ASP N N 120.773 0.050 1 193 121 23 LEU H H 7.891 0.010 1 194 121 23 LEU HA H 3.853 0.010 1 195 121 23 LEU HB2 H 2.178 0.010 2 196 121 23 LEU HB3 H 1.514 0.010 2 197 121 23 LEU HG H 0.803 0.010 1 198 121 23 LEU HD1 H 0.804 0.010 2 199 121 23 LEU HD2 H 0.893 0.010 2 200 121 23 LEU CA C 58.943 0.200 1 201 121 23 LEU CB C 41.418 0.200 1 202 121 23 LEU CG C 26.631 0.200 1 203 121 23 LEU CD1 C 26.083 0.200 1 204 121 23 LEU CD2 C 24.166 0.200 1 205 121 23 LEU N N 120.542 0.050 1 206 122 24 MET H H 8.551 0.010 1 207 122 24 MET HA H 4.259 0.010 1 208 122 24 MET HB2 H 2.162 0.010 2 209 122 24 MET HB3 H 2.022 0.010 2 210 122 24 MET HG2 H 2.709 0.010 2 211 122 24 MET HG3 H 2.709 0.010 2 212 122 24 MET CA C 56.753 0.200 1 213 122 24 MET CB C 29.917 0.200 1 214 122 24 MET CG C 32.381 0.200 1 215 122 24 MET N N 115.657 0.050 1 216 123 25 GLN H H 7.942 0.010 1 217 123 25 GLN HA H 4.080 0.010 1 218 123 25 GLN HB2 H 2.218 0.010 2 219 123 25 GLN HB3 H 2.218 0.010 2 220 123 25 GLN HG2 H 2.519 0.010 2 221 123 25 GLN HG3 H 2.400 0.010 2 222 123 25 GLN HE21 H 7.474 0.010 2 223 123 25 GLN HE22 H 6.806 0.010 2 224 123 25 GLN CA C 59.217 0.200 1 225 123 25 GLN CB C 28.274 0.200 1 226 123 25 GLN CG C 33.750 0.200 1 227 123 25 GLN N N 119.199 0.050 1 228 123 25 GLN NE2 N 111.933 0.050 1 229 124 26 GLN H H 7.905 0.010 1 230 124 26 GLN HA H 4.203 0.010 1 231 124 26 GLN HB2 H 2.255 0.010 2 232 124 26 GLN HB3 H 2.021 0.010 2 233 124 26 GLN HG2 H 2.635 0.010 2 234 124 26 GLN HG3 H 2.409 0.010 2 235 124 26 GLN HE21 H 7.535 0.010 2 236 124 26 GLN HE22 H 6.871 0.010 2 237 124 26 GLN CA C 58.943 0.200 1 238 124 26 GLN CB C 29.095 0.200 1 239 124 26 GLN CG C 34.572 0.200 1 240 124 26 GLN N N 118.714 0.050 1 241 124 26 GLN NE2 N 112.046 0.050 1 242 125 27 LEU H H 9.034 0.010 1 243 125 27 LEU HA H 3.659 0.010 1 244 125 27 LEU HB2 H 1.778 0.010 2 245 125 27 LEU HB3 H 1.544 0.010 2 246 125 27 LEU HG H 1.540 0.010 1 247 125 27 LEU HD1 H 0.589 0.010 2 248 125 27 LEU HD2 H 0.589 0.010 2 249 125 27 LEU CA C 57.574 0.200 1 250 125 27 LEU CB C 42.513 0.200 1 251 125 27 LEU CG C 26.357 0.200 1 252 125 27 LEU CD1 C 25.809 0.200 1 253 125 27 LEU CD2 C 24.988 0.200 1 254 125 27 LEU N N 122.726 0.050 1 255 126 28 GLN H H 7.437 0.010 1 256 126 28 GLN HA H 3.841 0.010 1 257 126 28 GLN HB2 H 2.172 0.010 2 258 126 28 GLN HB3 H 2.034 0.010 2 259 126 28 GLN HG2 H 2.694 0.010 2 260 126 28 GLN HG3 H 2.488 0.010 2 261 126 28 GLN HE21 H 7.365 0.010 2 262 126 28 GLN HE22 H 6.887 0.010 2 263 126 28 GLN CA C 58.396 0.200 1 264 126 28 GLN CB C 28.000 0.200 1 265 126 28 GLN CG C 32.929 0.200 1 266 126 28 GLN N N 114.405 0.050 1 267 126 28 GLN NE2 N 112.611 0.050 1 268 127 29 VAL H H 7.056 0.010 1 269 127 29 VAL HA H 3.960 0.010 1 270 127 29 VAL HB H 2.188 0.010 1 271 127 29 VAL HG1 H 1.025 0.010 2 272 127 29 VAL HG2 H 0.969 0.010 2 273 127 29 VAL CA C 64.146 0.200 1 274 127 29 VAL CB C 33.203 0.200 1 275 127 29 VAL CG1 C 21.428 0.200 1 276 127 29 VAL CG2 C 21.154 0.200 1 277 127 29 VAL N N 115.174 0.050 1 278 128 30 GLN H H 8.323 0.010 1 279 128 30 GLN HA H 4.355 0.010 1 280 128 30 GLN HB2 H 2.524 0.010 2 281 128 30 GLN HB3 H 1.761 0.010 2 282 128 30 GLN HG2 H 2.658 0.010 2 283 128 30 GLN HG3 H 2.518 0.010 2 284 128 30 GLN HE21 H 7.565 0.010 2 285 128 30 GLN HE22 H 7.138 0.010 2 286 128 30 GLN CA C 57.574 0.200 1 287 128 30 GLN CB C 30.738 0.200 1 288 128 30 GLN CG C 34.572 0.200 1 289 128 30 GLN N N 116.167 0.050 1 290 128 30 GLN NE2 N 112.385 0.050 1 291 129 31 LYS H H 8.621 0.010 1 292 129 31 LYS HA H 3.646 0.010 1 293 129 31 LYS HB2 H 2.276 0.010 2 294 129 31 LYS HB3 H 1.375 0.010 2 295 129 31 LYS HG2 H 0.620 0.010 2 296 129 31 LYS HG3 H 0.216 0.010 2 297 129 31 LYS HD2 H 1.097 0.010 2 298 129 31 LYS HD3 H 0.913 0.010 2 299 129 31 LYS HE2 H 2.522 0.010 2 300 129 31 LYS HE3 H 2.522 0.010 2 301 129 31 LYS CA C 60.586 0.200 1 302 129 31 LYS CB C 30.191 0.200 1 303 129 31 LYS CG C 25.262 0.200 1 304 129 31 LYS CD C 28.548 0.200 1 305 129 31 LYS CE C 42.513 0.200 1 306 129 31 LYS N N 113.827 0.050 1 307 130 32 ALA H H 7.891 0.010 1 308 130 32 ALA HA H 4.976 0.010 1 309 130 32 ALA HB H 0.876 0.010 1 310 130 32 ALA CA C 51.002 0.200 1 311 130 32 ALA CB C 22.249 0.200 1 312 130 32 ALA N N 120.394 0.050 1 313 131 33 MET H H 8.715 0.010 1 314 131 33 MET HA H 4.578 0.010 1 315 131 33 MET HB2 H 2.059 0.010 2 316 131 33 MET HB3 H 1.626 0.010 2 317 131 33 MET HG2 H 2.318 0.010 2 318 131 33 MET HG3 H 2.168 0.010 2 319 131 33 MET CA C 54.836 0.200 1 320 131 33 MET CB C 38.132 0.200 1 321 131 33 MET CG C 32.107 0.200 1 322 131 33 MET N N 117.794 0.050 1 323 132 34 LEU H H 6.916 0.010 1 324 132 34 LEU HA H 4.171 0.010 1 325 132 34 LEU HB2 H 1.648 0.010 2 326 132 34 LEU HB3 H 0.423 0.010 2 327 132 34 LEU HG H 0.339 0.010 1 328 132 34 LEU HD1 H 1.330 0.010 2 329 132 34 LEU HD2 H 0.878 0.010 2 330 132 34 LEU CA C 55.931 0.200 1 331 132 34 LEU CB C 43.335 0.200 1 332 132 34 LEU CG C 27.726 0.200 1 333 132 34 LEU CD1 C 26.357 0.200 1 334 132 34 LEU CD2 C 24.166 0.200 1 335 132 34 LEU N N 123.183 0.050 1 336 133 35 GLU H H 9.586 0.010 1 337 133 35 GLU HA H 4.395 0.010 1 338 133 35 GLU HB2 H 1.910 0.010 2 339 133 35 GLU HB3 H 1.837 0.010 2 340 133 35 GLU HG2 H 2.110 0.010 2 341 133 35 GLU HG3 H 2.002 0.010 2 342 133 35 GLU CA C 57.026 0.200 1 343 133 35 GLU CB C 32.381 0.200 1 344 133 35 GLU CG C 35.667 0.200 1 345 133 35 GLU N N 128.994 0.050 1 346 134 36 SER H H 7.782 0.010 1 347 134 36 SER HA H 4.768 0.010 1 348 134 36 SER HB2 H 3.816 0.010 2 349 134 36 SER HB3 H 3.707 0.010 2 350 134 36 SER CA C 57.300 0.200 1 351 134 36 SER CB C 65.241 0.200 1 352 134 36 SER N N 110.557 0.050 1 353 135 37 THR H H 8.304 0.010 1 354 135 37 THR HA H 5.054 0.010 1 355 135 37 THR HB H 3.850 0.010 1 356 135 37 THR HG2 H 1.255 0.010 1 357 135 37 THR CA C 59.217 0.200 1 358 135 37 THR CB C 72.909 0.200 1 359 135 37 THR CG2 C 23.619 0.200 1 360 135 37 THR N N 110.147 0.050 1 361 136 38 GLU H H 8.648 0.010 1 362 136 38 GLU HA H 4.524 0.010 1 363 136 38 GLU HB2 H 1.782 0.010 2 364 136 38 GLU HB3 H 1.782 0.010 2 365 136 38 GLU HG2 H 2.110 0.010 2 366 136 38 GLU HG3 H 1.957 0.010 2 367 136 38 GLU CA C 55.110 0.200 1 368 136 38 GLU CB C 33.203 0.200 1 369 136 38 GLU CG C 35.941 0.200 1 370 136 38 GLU N N 120.953 0.050 1 371 137 39 TYR H H 8.889 0.010 1 372 137 39 TYR HA H 4.706 0.010 1 373 137 39 TYR HB2 H 3.106 0.010 2 374 137 39 TYR HB3 H 2.894 0.010 2 375 137 39 TYR HD1 H 7.190 0.010 1 376 137 39 TYR HD2 H 7.190 0.010 1 377 137 39 TYR HE1 H 6.711 0.010 1 378 137 39 TYR HE2 H 6.711 0.010 1 379 137 39 TYR CA C 57.848 0.200 1 380 137 39 TYR CB C 38.406 0.200 1 381 137 39 TYR N N 126.389 0.050 1 382 138 40 VAL H H 7.828 0.010 1 383 138 40 VAL HA H 4.273 0.010 1 384 138 40 VAL HB H 1.886 0.010 1 385 138 40 VAL HG1 H 0.873 0.010 2 386 138 40 VAL HG2 H 0.762 0.010 2 387 138 40 VAL CA C 60.586 0.200 1 388 138 40 VAL CB C 32.655 0.200 1 389 138 40 VAL CG1 C 20.606 0.200 1 390 138 40 VAL CG2 C 20.606 0.200 1 391 138 40 VAL N N 127.128 0.050 1 392 139 41 PRO HA H 4.410 0.010 1 393 139 41 PRO HB2 H 2.335 0.010 2 394 139 41 PRO HB3 H 1.900 0.010 2 395 139 41 PRO HG2 H 2.100 0.010 2 396 139 41 PRO HG3 H 2.003 0.010 2 397 139 41 PRO HD2 H 4.058 0.010 2 398 139 41 PRO HD3 H 3.672 0.010 2 399 139 41 PRO CA C 63.872 0.200 1 400 139 41 PRO CB C 32.107 0.200 1 401 139 41 PRO CG C 27.726 0.200 1 402 139 41 PRO CD C 51.276 0.200 1 403 140 42 GLY H H 8.869 0.010 1 404 140 42 GLY HA2 H 4.144 0.010 2 405 140 42 GLY HA3 H 3.804 0.010 2 406 140 42 GLY CA C 46.073 0.200 1 407 140 42 GLY N N 111.669 0.050 1 408 141 43 SER H H 7.852 0.010 1 409 141 43 SER HA H 4.854 0.010 1 410 141 43 SER HB2 H 3.807 0.010 2 411 141 43 SER HB3 H 3.807 0.010 2 412 141 43 SER CA C 57.300 0.200 1 413 141 43 SER CB C 65.789 0.200 1 414 141 43 SER N N 113.461 0.050 1 415 142 44 THR H H 8.722 0.010 1 416 142 44 THR HA H 4.424 0.010 1 417 142 44 THR HB H 4.424 0.010 1 418 142 44 THR HG2 H 1.071 0.010 1 419 142 44 THR CA C 60.586 0.200 1 420 142 44 THR CB C 66.884 0.200 1 421 142 44 THR CG2 C 23.892 0.200 1 422 142 44 THR N N 117.213 0.050 1 423 143 45 SER H H 7.856 0.010 1 424 143 45 SER HA H 5.512 0.010 1 425 143 45 SER HB2 H 3.575 0.010 2 426 143 45 SER HB3 H 3.575 0.010 2 427 143 45 SER CA C 56.753 0.200 1 428 143 45 SER CB C 66.337 0.200 1 429 143 45 SER N N 114.963 0.050 1 430 144 46 MET H H 9.000 0.010 1 431 144 46 MET HA H 4.811 0.010 1 432 144 46 MET HB2 H 1.785 0.010 2 433 144 46 MET HB3 H 1.694 0.010 2 434 144 46 MET HG2 H 2.012 0.010 2 435 144 46 MET HG3 H 1.864 0.010 2 436 144 46 MET CA C 54.014 0.200 1 437 144 46 MET CB C 37.036 0.200 1 438 144 46 MET CG C 31.286 0.200 1 439 144 46 MET N N 123.663 0.050 1 440 145 47 LYS H H 8.782 0.010 1 441 145 47 LYS HA H 4.735 0.010 1 442 145 47 LYS HB2 H 1.638 0.010 2 443 145 47 LYS HB3 H 1.381 0.010 2 444 145 47 LYS HG2 H 1.177 0.010 2 445 145 47 LYS HG3 H 0.967 0.010 2 446 145 47 LYS HD2 H 1.451 0.010 2 447 145 47 LYS HD3 H 1.393 0.010 2 448 145 47 LYS HE2 H 2.656 0.010 2 449 145 47 LYS HE3 H 2.656 0.010 2 450 145 47 LYS CA C 54.288 0.200 1 451 145 47 LYS CB C 34.846 0.200 1 452 145 47 LYS CG C 24.714 0.200 1 453 145 47 LYS CD C 29.643 0.200 1 454 145 47 LYS CE C 41.692 0.200 1 455 145 47 LYS N N 125.649 0.050 1 456 146 48 GLY H H 7.960 0.010 1 457 146 48 GLY HA2 H 4.722 0.010 2 458 146 48 GLY HA3 H 2.674 0.010 2 459 146 48 GLY CA C 43.882 0.200 1 460 146 48 GLY N N 111.190 0.050 1 461 147 49 ILE H H 8.070 0.010 1 462 147 49 ILE HA H 4.841 0.010 1 463 147 49 ILE HB H 1.915 0.010 1 464 147 49 ILE HG12 H 1.187 0.010 2 465 147 49 ILE HG13 H 0.996 0.010 2 466 147 49 ILE HG2 H 0.728 0.010 1 467 147 49 ILE HD1 H 0.549 0.010 1 468 147 49 ILE CA C 58.396 0.200 1 469 147 49 ILE CB C 38.132 0.200 1 470 147 49 ILE CG1 C 26.631 0.200 1 471 147 49 ILE CG2 C 17.320 0.200 1 472 147 49 ILE CD1 C 10.748 0.200 1 473 147 49 ILE N N 119.909 0.050 1 474 148 50 ILE H H 9.848 0.010 1 475 148 50 ILE HA H 4.521 0.010 1 476 148 50 ILE HB H 1.490 0.010 1 477 148 50 ILE HG12 H 1.668 0.010 2 478 148 50 ILE HG13 H 0.582 0.010 2 479 148 50 ILE HG2 H 0.509 0.010 1 480 148 50 ILE HD1 H 0.285 0.010 1 481 148 50 ILE CA C 59.217 0.200 1 482 148 50 ILE CB C 41.965 0.200 1 483 148 50 ILE CG1 C 29.095 0.200 1 484 148 50 ILE CG2 C 17.594 0.200 1 485 148 50 ILE CD1 C 15.403 0.200 1 486 148 50 ILE N N 129.024 0.050 1 487 149 51 ARG H H 8.847 0.010 1 488 149 51 ARG HA H 5.242 0.010 1 489 149 51 ARG HB2 H 2.355 0.010 2 490 149 51 ARG HB3 H 1.636 0.010 2 491 149 51 ARG HG2 H 1.528 0.010 2 492 149 51 ARG HG3 H 1.393 0.010 2 493 149 51 ARG HD2 H 3.157 0.010 2 494 149 51 ARG HD3 H 2.991 0.010 2 495 149 51 ARG CA C 53.193 0.200 1 496 149 51 ARG CB C 31.286 0.200 1 497 149 51 ARG CG C 29.095 0.200 1 498 149 51 ARG CD C 41.418 0.200 1 499 149 51 ARG N N 128.476 0.050 1 500 150 52 VAL H H 8.866 0.010 1 501 150 52 VAL HA H 5.157 0.010 1 502 150 52 VAL HB H 1.579 0.010 1 503 150 52 VAL HG1 H 0.031 0.010 2 504 150 52 VAL HG2 H 0.680 0.010 2 505 150 52 VAL CA C 57.574 0.200 1 506 150 52 VAL CB C 34.024 0.200 1 507 150 52 VAL CG1 C 21.428 0.200 1 508 150 52 VAL CG2 C 20.880 0.200 1 509 150 52 VAL N N 117.388 0.050 1 510 151 53 LEU H H 8.405 0.010 1 511 151 53 LEU HA H 4.420 0.010 1 512 151 53 LEU HB2 H 1.722 0.010 2 513 151 53 LEU HB3 H 1.287 0.010 2 514 151 53 LEU HG H 1.497 0.010 1 515 151 53 LEU HD1 H 0.857 0.010 2 516 151 53 LEU HD2 H 0.769 0.010 2 517 151 53 LEU CA C 54.288 0.200 1 518 151 53 LEU CB C 44.430 0.200 1 519 151 53 LEU CG C 26.905 0.200 1 520 151 53 LEU CD1 C 24.714 0.200 1 521 151 53 LEU CD2 C 24.440 0.200 1 522 151 53 LEU N N 121.468 0.050 1 523 152 54 ASN H H 9.019 0.010 1 524 152 54 ASN HA H 4.682 0.010 1 525 152 54 ASN HB2 H 2.755 0.010 2 526 152 54 ASN HB3 H 2.399 0.010 2 527 152 54 ASN HD21 H 7.263 0.010 2 528 152 54 ASN HD22 H 6.676 0.010 2 529 152 54 ASN CA C 53.467 0.200 1 530 152 54 ASN CB C 35.941 0.200 1 531 152 54 ASN N N 127.400 0.050 1 532 152 54 ASN ND2 N 110.465 0.050 1 533 153 55 ILE H H 7.922 0.010 1 534 153 55 ILE HA H 4.302 0.010 1 535 153 55 ILE HB H 2.069 0.010 1 536 153 55 ILE HG12 H 1.210 0.010 2 537 153 55 ILE HG13 H 1.044 0.010 2 538 153 55 ILE HG2 H 0.817 0.010 1 539 153 55 ILE HD1 H 0.654 0.010 1 540 153 55 ILE CA C 61.408 0.200 1 541 153 55 ILE CB C 39.227 0.200 1 542 153 55 ILE CG1 C 25.535 0.200 1 543 153 55 ILE CG2 C 18.142 0.200 1 544 153 55 ILE CD1 C 14.034 0.200 1 545 153 55 ILE N N 119.199 0.050 1 546 154 56 SER H H 7.393 0.010 1 547 154 56 SER HA H 4.535 0.010 1 548 154 56 SER HB2 H 4.102 0.010 2 549 154 56 SER HB3 H 3.665 0.010 2 550 154 56 SER CA C 57.026 0.200 1 551 154 56 SER CB C 65.515 0.200 1 552 154 56 SER N N 112.583 0.050 1 553 155 57 PHE H H 8.744 0.010 1 554 155 57 PHE HA H 4.422 0.010 1 555 155 57 PHE HB2 H 3.162 0.010 2 556 155 57 PHE HB3 H 3.043 0.010 2 557 155 57 PHE HD1 H 7.280 0.010 1 558 155 57 PHE HD2 H 7.280 0.010 1 559 155 57 PHE HE1 H 7.336 0.010 1 560 155 57 PHE HE2 H 7.336 0.010 1 561 155 57 PHE CA C 60.312 0.200 1 562 155 57 PHE CB C 38.953 0.200 1 563 155 57 PHE N N 123.790 0.050 1 564 156 58 GLU H H 8.365 0.010 1 565 156 58 GLU HA H 4.279 0.010 1 566 156 58 GLU HB2 H 1.844 0.010 2 567 156 58 GLU HB3 H 1.844 0.010 2 568 156 58 GLU HG2 H 2.210 0.010 2 569 156 58 GLU HG3 H 2.136 0.010 2 570 156 58 GLU CA C 56.479 0.200 1 571 156 58 GLU CB C 29.917 0.200 1 572 156 58 GLU CG C 36.215 0.200 1 573 156 58 GLU N N 119.425 0.050 1 574 157 59 LYS H H 8.172 0.010 1 575 157 59 LYS HA H 4.912 0.010 1 576 157 59 LYS HB2 H 1.845 0.010 2 577 157 59 LYS HB3 H 1.634 0.010 2 578 157 59 LYS HG2 H 1.471 0.010 2 579 157 59 LYS HG3 H 1.471 0.010 2 580 157 59 LYS HD2 H 1.851 0.010 2 581 157 59 LYS HD3 H 1.746 0.010 2 582 157 59 LYS HE2 H 3.084 0.010 2 583 157 59 LYS HE3 H 3.084 0.010 2 584 157 59 LYS CA C 55.657 0.200 1 585 157 59 LYS CB C 37.036 0.200 1 586 157 59 LYS CG C 24.166 0.200 1 587 157 59 LYS CD C 29.917 0.200 1 588 157 59 LYS CE C 42.787 0.200 1 589 157 59 LYS N N 122.539 0.050 1 590 158 60 LEU H H 8.542 0.010 1 591 158 60 LEU HA H 4.380 0.010 1 592 158 60 LEU HB2 H 1.566 0.010 2 593 158 60 LEU HB3 H 1.189 0.010 2 594 158 60 LEU HG H 1.464 0.010 1 595 158 60 LEU HD1 H 0.902 0.010 2 596 158 60 LEU HD2 H 0.903 0.010 2 597 158 60 LEU CA C 54.836 0.200 1 598 158 60 LEU CB C 46.347 0.200 1 599 158 60 LEU CG C 26.905 0.200 1 600 158 60 LEU CD1 C 25.809 0.200 1 601 158 60 LEU CD2 C 24.166 0.200 1 602 158 60 LEU N N 122.891 0.050 1 603 159 61 VAL H H 8.722 0.010 1 604 159 61 VAL HA H 4.426 0.010 1 605 159 61 VAL HB H 0.987 0.010 1 606 159 61 VAL HG1 H 0.178 0.010 2 607 159 61 VAL HG2 H -0.396 0.010 2 608 159 61 VAL CA C 61.134 0.200 1 609 159 61 VAL CB C 33.477 0.200 1 610 159 61 VAL CG1 C 21.976 0.200 1 611 159 61 VAL CG2 C 20.880 0.200 1 612 159 61 VAL N N 123.985 0.050 1 613 160 62 TYR H H 9.036 0.010 1 614 160 62 TYR HA H 5.334 0.010 1 615 160 62 TYR HB2 H 2.465 0.010 2 616 160 62 TYR HB3 H 2.465 0.010 2 617 160 62 TYR HD1 H 6.621 0.010 1 618 160 62 TYR HD2 H 6.621 0.010 1 619 160 62 TYR HE1 H 6.824 0.010 1 620 160 62 TYR HE2 H 6.824 0.010 1 621 160 62 TYR CA C 55.383 0.200 1 622 160 62 TYR CB C 42.239 0.200 1 623 160 62 TYR N N 123.086 0.050 1 624 161 63 VAL H H 9.291 0.010 1 625 161 63 VAL HA H 4.394 0.010 1 626 161 63 VAL HB H 1.347 0.010 1 627 161 63 VAL HG1 H 0.249 0.010 2 628 161 63 VAL HG2 H -0.461 0.010 2 629 161 63 VAL CA C 61.408 0.200 1 630 161 63 VAL CB C 32.929 0.200 1 631 161 63 VAL CG1 C 20.880 0.200 1 632 161 63 VAL CG2 C 20.059 0.200 1 633 161 63 VAL N N 121.753 0.050 1 634 162 64 ARG H H 8.857 0.010 1 635 162 64 ARG HA H 5.475 0.010 1 636 162 64 ARG HB2 H 2.241 0.010 2 637 162 64 ARG HB3 H 1.787 0.010 2 638 162 64 ARG HG2 H 1.850 0.010 2 639 162 64 ARG HG3 H 1.643 0.010 2 640 162 64 ARG HD2 H 2.788 0.010 2 641 162 64 ARG HD3 H 2.524 0.010 2 642 162 64 ARG CA C 55.110 0.200 1 643 162 64 ARG CB C 31.286 0.200 1 644 162 64 ARG CG C 26.905 0.200 1 645 162 64 ARG CD C 43.335 0.200 1 646 162 64 ARG N N 129.832 0.050 1 647 163 65 MET H H 9.483 0.010 1 648 163 65 MET HA H 5.978 0.010 1 649 163 65 MET HB2 H 1.869 0.010 2 650 163 65 MET HB3 H 1.817 0.010 2 651 163 65 MET HG2 H 2.530 0.010 2 652 163 65 MET HG3 H 2.333 0.010 2 653 163 65 MET CA C 53.193 0.200 1 654 163 65 MET CB C 38.406 0.200 1 655 163 65 MET CG C 31.286 0.200 1 656 163 65 MET N N 125.116 0.050 1 657 164 66 SER H H 8.636 0.010 1 658 164 66 SER HA H 4.554 0.010 1 659 164 66 SER HB2 H 2.582 0.010 2 660 164 66 SER HB3 H 1.445 0.010 2 661 164 66 SER CA C 57.026 0.200 1 662 164 66 SER CB C 64.146 0.200 1 663 164 66 SER N N 112.107 0.050 1 664 165 67 LEU H H 9.082 0.010 1 665 165 67 LEU HA H 4.874 0.010 1 666 165 67 LEU HB2 H 1.548 0.010 2 667 165 67 LEU HB3 H 1.279 0.010 2 668 165 67 LEU HG H 1.380 0.010 1 669 165 67 LEU HD1 H 0.698 0.010 2 670 165 67 LEU HD2 H 0.474 0.010 2 671 165 67 LEU CA C 54.288 0.200 1 672 165 67 LEU CB C 42.513 0.200 1 673 165 67 LEU CG C 27.452 0.200 1 674 165 67 LEU CD1 C 24.988 0.200 1 675 165 67 LEU CD2 C 24.714 0.200 1 676 165 67 LEU N N 128.731 0.050 1 677 166 68 ASP H H 8.276 0.010 1 678 166 68 ASP HA H 4.750 0.010 1 679 166 68 ASP HB2 H 2.951 0.010 2 680 166 68 ASP HB3 H 2.216 0.010 2 681 166 68 ASP CA C 52.097 0.200 1 682 166 68 ASP CB C 40.049 0.200 1 683 166 68 ASP N N 121.872 0.050 1 684 167 69 ASP H H 8.908 0.010 1 685 167 69 ASP HA H 4.136 0.010 1 686 167 69 ASP HB2 H 3.005 0.010 2 687 167 69 ASP HB3 H 2.692 0.010 2 688 167 69 ASP CA C 56.205 0.200 1 689 167 69 ASP CB C 38.679 0.200 1 690 167 69 ASP N N 118.123 0.050 1 691 168 70 TRP H H 8.260 0.010 1 692 168 70 TRP HA H 3.802 0.010 1 693 168 70 TRP HB2 H 3.496 0.010 2 694 168 70 TRP HB3 H 3.496 0.010 2 695 168 70 TRP HD1 H 7.118 0.010 1 696 168 70 TRP HE1 H 10.356 0.010 1 697 168 70 TRP HE3 H 7.575 0.010 1 698 168 70 TRP HZ2 H 6.967 0.010 1 699 168 70 TRP HZ3 H 6.535 0.010 1 700 168 70 TRP HH2 H 7.143 0.010 1 701 168 70 TRP CA C 58.669 0.200 1 702 168 70 TRP CB C 24.166 0.200 1 703 168 70 TRP N N 108.312 0.050 1 704 168 70 TRP NE1 N 130.675 0.050 1 705 169 71 GLN H H 7.656 0.010 1 706 169 71 GLN HA H 4.101 0.010 1 707 169 71 GLN HB2 H 2.054 0.010 2 708 169 71 GLN HB3 H 1.963 0.010 2 709 169 71 GLN HG2 H 2.551 0.010 2 710 169 71 GLN HG3 H 2.327 0.010 2 711 169 71 GLN HE21 H 7.654 0.010 2 712 169 71 GLN HE22 H 6.847 0.010 2 713 169 71 GLN CA C 59.491 0.200 1 714 169 71 GLN CB C 28.548 0.200 1 715 169 71 GLN CG C 34.846 0.200 1 716 169 71 GLN N N 123.579 0.050 1 717 169 71 GLN NE2 N 112.723 0.050 1 718 170 72 THR H H 9.892 0.010 1 719 170 72 THR HA H 4.487 0.010 1 720 170 72 THR HB H 4.001 0.010 1 721 170 72 THR HG2 H 1.076 0.010 1 722 170 72 THR CA C 60.860 0.200 1 723 170 72 THR CB C 72.909 0.200 1 724 170 72 THR CG2 C 21.976 0.200 1 725 170 72 THR N N 113.203 0.050 1 726 171 73 HIS H H 7.870 0.010 1 727 171 73 HIS HA H 5.393 0.010 1 728 171 73 HIS HB2 H 3.221 0.010 2 729 171 73 HIS HB3 H 3.021 0.010 2 730 171 73 HIS CA C 55.383 0.200 1 731 171 73 HIS CB C 33.203 0.200 1 732 171 73 HIS N N 113.176 0.050 1 733 172 74 TYR H H 9.040 0.010 1 734 172 74 TYR HA H 4.750 0.010 1 735 172 74 TYR HB2 H 2.957 0.010 2 736 172 74 TYR HB3 H 2.864 0.010 2 737 172 74 TYR HD1 H 7.035 0.010 1 738 172 74 TYR HD2 H 7.035 0.010 1 739 172 74 TYR HE1 H 6.764 0.010 1 740 172 74 TYR HE2 H 6.764 0.010 1 741 172 74 TYR CA C 57.300 0.200 1 742 172 74 TYR CB C 41.692 0.200 1 743 172 74 TYR N N 118.397 0.050 1 744 173 75 ASP H H 8.454 0.010 1 745 173 75 ASP HA H 5.653 0.010 1 746 173 75 ASP HB2 H 2.555 0.010 2 747 173 75 ASP HB3 H 2.243 0.010 2 748 173 75 ASP CA C 53.467 0.200 1 749 173 75 ASP CB C 41.965 0.200 1 750 173 75 ASP N N 124.367 0.050 1 751 174 76 ILE H H 9.567 0.010 1 752 174 76 ILE HA H 4.227 0.010 1 753 174 76 ILE HB H 1.877 0.010 1 754 174 76 ILE HG12 H 1.638 0.010 2 755 174 76 ILE HG13 H 1.226 0.010 2 756 174 76 ILE HG2 H 0.985 0.010 1 757 174 76 ILE HD1 H 0.949 0.010 1 758 174 76 ILE CA C 60.586 0.200 1 759 174 76 ILE CB C 41.144 0.200 1 760 174 76 ILE CG1 C 27.452 0.200 1 761 174 76 ILE CG2 C 17.320 0.200 1 762 174 76 ILE CD1 C 14.308 0.200 1 763 174 76 ILE N N 125.740 0.050 1 764 175 77 LEU H H 8.662 0.010 1 765 175 77 LEU HA H 4.195 0.010 1 766 175 77 LEU HB2 H 1.791 0.010 2 767 175 77 LEU HB3 H 1.335 0.010 2 768 175 77 LEU HG H 1.507 0.010 1 769 175 77 LEU HD1 H 0.796 0.010 2 770 175 77 LEU HD2 H 0.446 0.010 2 771 175 77 LEU CA C 55.110 0.200 1 772 175 77 LEU CB C 42.239 0.200 1 773 175 77 LEU CG C 26.083 0.200 1 774 175 77 LEU CD1 C 25.809 0.200 1 775 175 77 LEU CD2 C 23.071 0.200 1 776 175 77 LEU N N 129.668 0.050 1 777 176 78 ALA H H 8.921 0.010 1 778 176 78 ALA HA H 4.711 0.010 1 779 176 78 ALA HB H 1.190 0.010 1 780 176 78 ALA CA C 51.550 0.200 1 781 176 78 ALA CB C 19.785 0.200 1 782 176 78 ALA N N 132.270 0.050 1 783 177 79 GLU H H 9.131 0.010 1 784 177 79 GLU HA H 4.754 0.010 1 785 177 79 GLU HB2 H 2.001 0.010 2 786 177 79 GLU HB3 H 1.899 0.010 2 787 177 79 GLU HG2 H 2.274 0.010 2 788 177 79 GLU HG3 H 2.274 0.010 2 789 177 79 GLU CA C 54.836 0.200 1 790 177 79 GLU CB C 32.655 0.200 1 791 177 79 GLU CG C 36.489 0.200 1 792 177 79 GLU N N 120.299 0.050 1 793 178 80 TYR H H 9.078 0.010 1 794 178 80 TYR HA H 3.272 0.010 1 795 178 80 TYR HB2 H 2.742 0.010 2 796 178 80 TYR HB3 H 2.449 0.010 2 797 178 80 TYR HD1 H 6.423 0.010 1 798 178 80 TYR HD2 H 6.423 0.010 1 799 178 80 TYR HE1 H 6.715 0.010 1 800 178 80 TYR HE2 H 6.715 0.010 1 801 178 80 TYR CA C 58.396 0.200 1 802 178 80 TYR CB C 38.132 0.200 1 803 178 80 TYR N N 127.129 0.050 1 804 179 81 VAL H H 7.741 0.010 1 805 179 81 VAL HA H 3.935 0.010 1 806 179 81 VAL HB H 1.403 0.010 1 807 179 81 VAL HG1 H 0.577 0.010 2 808 179 81 VAL HG2 H 0.642 0.010 2 809 179 81 VAL CA C 59.765 0.200 1 810 179 81 VAL CB C 31.012 0.200 1 811 179 81 VAL CG1 C 21.154 0.200 1 812 179 81 VAL CG2 C 19.785 0.200 1 813 179 81 VAL N N 132.469 0.050 1 814 180 82 PRO HA H 3.996 0.010 1 815 180 82 PRO HB2 H 2.227 0.010 2 816 180 82 PRO HB3 H 1.719 0.010 2 817 180 82 PRO HG2 H 1.972 0.010 2 818 180 82 PRO HG3 H 1.846 0.010 2 819 180 82 PRO HD2 H 4.109 0.010 2 820 180 82 PRO HD3 H 3.432 0.010 2 821 180 82 PRO CA C 63.598 0.200 1 822 180 82 PRO CB C 32.107 0.200 1 823 180 82 PRO CG C 27.452 0.200 1 824 180 82 PRO CD C 51.002 0.200 1 825 181 83 ASN H H 8.698 0.010 1 826 181 83 ASN HA H 4.488 0.010 1 827 181 83 ASN HB2 H 2.984 0.010 2 828 181 83 ASN HB3 H 2.830 0.010 2 829 181 83 ASN HD21 H 7.571 0.010 2 830 181 83 ASN HD22 H 6.908 0.010 2 831 181 83 ASN CA C 54.562 0.200 1 832 181 83 ASN CB C 37.584 0.200 1 833 181 83 ASN N N 115.296 0.050 1 834 181 83 ASN ND2 N 114.078 0.050 1 835 182 84 SER H H 7.754 0.010 1 836 182 84 SER HA H 4.150 0.010 1 837 182 84 SER HB2 H 3.830 0.010 2 838 182 84 SER HB3 H 3.335 0.010 2 839 182 84 SER CA C 59.491 0.200 1 840 182 84 SER CB C 63.872 0.200 1 841 182 84 SER N N 112.170 0.050 1 842 183 85 CYS H H 8.115 0.010 1 843 183 85 CYS HA H 5.252 0.010 1 844 183 85 CYS HB2 H 3.428 0.010 2 845 183 85 CYS HB3 H 2.781 0.010 2 846 183 85 CYS CA C 59.217 0.200 1 847 183 85 CYS CB C 28.548 0.200 1 848 183 85 CYS N N 124.382 0.050 1 849 184 86 ASP H H 8.748 0.010 1 850 184 86 ASP HA H 4.894 0.010 1 851 184 86 ASP HB2 H 3.081 0.010 2 852 184 86 ASP HB3 H 2.490 0.010 2 853 184 86 ASP CA C 52.371 0.200 1 854 184 86 ASP CB C 40.322 0.200 1 855 184 86 ASP N N 130.284 0.050 1 856 185 87 GLY H H 8.727 0.010 1 857 185 87 GLY HA2 H 4.575 0.010 2 858 185 87 GLY HA3 H 3.516 0.010 2 859 185 87 GLY CA C 45.799 0.200 1 860 185 87 GLY N N 113.783 0.050 1 861 186 88 GLU H H 8.075 0.010 1 862 186 88 GLU HA H 4.417 0.010 1 863 186 88 GLU HB2 H 2.128 0.010 2 864 186 88 GLU HB3 H 1.993 0.010 2 865 186 88 GLU HG2 H 2.297 0.010 2 866 186 88 GLU HG3 H 2.221 0.010 2 867 186 88 GLU CA C 58.122 0.200 1 868 186 88 GLU CB C 31.834 0.200 1 869 186 88 GLU CG C 36.763 0.200 1 870 186 88 GLU N N 120.957 0.050 1 871 187 89 THR H H 8.859 0.010 1 872 187 89 THR HA H 5.408 0.010 1 873 187 89 THR HB H 4.233 0.010 1 874 187 89 THR HG2 H 1.060 0.010 1 875 187 89 THR CA C 59.765 0.200 1 876 187 89 THR CB C 74.004 0.200 1 877 187 89 THR CG2 C 23.345 0.200 1 878 187 89 THR N N 111.439 0.050 1 879 188 90 ASP H H 8.265 0.010 1 880 188 90 ASP HA H 4.929 0.010 1 881 188 90 ASP HB2 H 2.596 0.010 2 882 188 90 ASP HB3 H 2.326 0.010 2 883 188 90 ASP CA C 53.740 0.200 1 884 188 90 ASP CB C 47.442 0.200 1 885 188 90 ASP N N 117.200 0.050 1 886 189 91 GLN H H 8.130 0.010 1 887 189 91 GLN HA H 5.647 0.010 1 888 189 91 GLN HB2 H 1.787 0.010 2 889 189 91 GLN HB3 H 1.610 0.010 2 890 189 91 GLN HG2 H 2.477 0.010 2 891 189 91 GLN HG3 H 1.936 0.010 2 892 189 91 GLN HE21 H 7.789 0.010 2 893 189 91 GLN HE22 H 6.478 0.010 2 894 189 91 GLN CA C 54.288 0.200 1 895 189 91 GLN CB C 32.381 0.200 1 896 189 91 GLN CG C 34.298 0.200 1 897 189 91 GLN N N 114.492 0.050 1 898 189 91 GLN NE2 N 113.514 0.050 1 899 190 92 PHE H H 9.135 0.010 1 900 190 92 PHE HA H 5.087 0.010 1 901 190 92 PHE HB2 H 2.644 0.010 2 902 190 92 PHE HB3 H 2.432 0.010 2 903 190 92 PHE HD1 H 6.852 0.010 1 904 190 92 PHE HD2 H 6.852 0.010 1 905 190 92 PHE HE1 H 7.292 0.010 1 906 190 92 PHE HE2 H 7.292 0.010 1 907 190 92 PHE HZ H 7.201 0.010 1 908 190 92 PHE CA C 55.931 0.200 1 909 190 92 PHE CB C 44.156 0.200 1 910 190 92 PHE N N 118.210 0.050 1 911 191 93 SER H H 10.154 0.010 1 912 191 93 SER HA H 5.711 0.010 1 913 191 93 SER HB2 H 3.803 0.010 2 914 191 93 SER HB3 H 3.466 0.010 2 915 191 93 SER CA C 56.205 0.200 1 916 191 93 SER CB C 67.158 0.200 1 917 191 93 SER N N 117.213 0.050 1 918 192 94 PHE H H 8.370 0.010 1 919 192 94 PHE HA H 5.079 0.010 1 920 192 94 PHE HB2 H 2.848 0.010 2 921 192 94 PHE HB3 H 2.763 0.010 2 922 192 94 PHE CA C 56.205 0.200 1 923 192 94 PHE CB C 41.418 0.200 1 924 192 94 PHE N N 116.627 0.050 1 925 193 95 LYS H H 8.258 0.010 1 926 193 95 LYS HA H 4.993 0.010 1 927 193 95 LYS HB2 H 1.597 0.010 2 928 193 95 LYS HB3 H 1.492 0.010 2 929 193 95 LYS HG2 H 1.169 0.010 2 930 193 95 LYS HG3 H 1.092 0.010 2 931 193 95 LYS HD2 H 1.492 0.010 2 932 193 95 LYS HD3 H 1.492 0.010 2 933 193 95 LYS HE2 H 2.762 0.010 2 934 193 95 LYS HE3 H 2.762 0.010 2 935 193 95 LYS CA C 54.836 0.200 1 936 193 95 LYS CB C 36.215 0.200 1 937 193 95 LYS CG C 24.440 0.200 1 938 193 95 LYS CD C 29.095 0.200 1 939 193 95 LYS CE C 41.965 0.200 1 940 193 95 LYS N N 120.052 0.050 1 941 194 96 ILE H H 8.506 0.010 1 942 194 96 ILE HA H 4.297 0.010 1 943 194 96 ILE HB H 1.406 0.010 1 944 194 96 ILE HG12 H 0.985 0.010 2 945 194 96 ILE HG13 H 0.985 0.010 2 946 194 96 ILE HG2 H 0.714 0.010 1 947 194 96 ILE HD1 H 0.357 0.010 1 948 194 96 ILE CA C 60.312 0.200 1 949 194 96 ILE CB C 42.787 0.200 1 950 194 96 ILE CG1 C 27.178 0.200 1 951 194 96 ILE CG2 C 16.773 0.200 1 952 194 96 ILE CD1 C 14.034 0.200 1 953 194 96 ILE N N 122.112 0.050 1 954 195 97 SER H H 8.476 0.010 1 955 195 97 SER HA H 5.037 0.010 1 956 195 97 SER HB2 H 3.647 0.010 2 957 195 97 SER HB3 H 3.498 0.010 2 958 195 97 SER CA C 57.026 0.200 1 959 195 97 SER CB C 65.241 0.200 1 960 195 97 SER N N 120.869 0.050 1 961 196 98 LEU H H 8.235 0.010 1 962 196 98 LEU HA H 4.727 0.010 1 963 196 98 LEU HB2 H 1.436 0.010 2 964 196 98 LEU HB3 H 1.436 0.010 2 965 196 98 LEU HG H 1.440 0.010 1 966 196 98 LEU HD1 H 1.179 0.010 2 967 196 98 LEU HD2 H 0.781 0.010 2 968 196 98 LEU CA C 54.014 0.200 1 969 196 98 LEU CB C 43.608 0.200 1 970 196 98 LEU CG C 27.726 0.200 1 971 196 98 LEU CD1 C 24.988 0.200 1 972 196 98 LEU CD2 C 24.988 0.200 1 973 196 98 LEU N N 124.651 0.050 1 974 197 99 VAL H H 8.085 0.010 1 975 197 99 VAL HA H 4.678 0.010 1 976 197 99 VAL HB H 2.288 0.010 1 977 197 99 VAL HG1 H 0.824 0.010 2 978 197 99 VAL HG2 H 0.823 0.010 2 979 197 99 VAL CA C 58.396 0.200 1 980 197 99 VAL CB C 32.107 0.200 1 981 197 99 VAL CG1 C 21.428 0.200 1 982 197 99 VAL CG2 C 21.428 0.200 1 983 197 99 VAL N N 118.330 0.050 1 984 198 100 PRO HA H 4.574 0.010 1 985 198 100 PRO HB2 H 1.475 0.010 2 986 198 100 PRO HB3 H 0.783 0.010 2 987 198 100 PRO HG2 H 2.005 0.010 2 988 198 100 PRO HG3 H 1.858 0.010 2 989 198 100 PRO HD2 H 3.695 0.010 2 990 198 100 PRO HD3 H 3.431 0.010 2 991 198 100 PRO CA C 62.503 0.200 1 992 198 100 PRO CB C 32.381 0.200 1 993 198 100 PRO CG C 26.631 0.200 1 994 198 100 PRO CD C 50.728 0.200 1 995 199 101 PRO HA H 4.463 0.010 1 996 199 101 PRO HB2 H 2.074 0.010 2 997 199 101 PRO HB3 H 1.901 0.010 2 998 199 101 PRO HG2 H 1.645 0.010 2 999 199 101 PRO HG3 H 0.688 0.010 2 1000 199 101 PRO HD2 H 3.249 0.010 2 1001 199 101 PRO HD3 H 3.069 0.010 2 1002 199 101 PRO CA C 63.872 0.200 1 1003 199 101 PRO CB C 33.203 0.200 1 1004 199 101 PRO CG C 23.892 0.200 1 1005 199 101 PRO CD C 49.907 0.200 1 1006 200 102 TYR H H 8.639 0.010 1 1007 200 102 TYR HA H 4.307 0.010 1 1008 200 102 TYR HB2 H 3.212 0.010 2 1009 200 102 TYR HB3 H 2.741 0.010 2 1010 200 102 TYR HD1 H 7.092 0.010 1 1011 200 102 TYR HD2 H 7.092 0.010 1 1012 200 102 TYR HE1 H 6.730 0.010 1 1013 200 102 TYR HE2 H 6.730 0.010 1 1014 200 102 TYR CA C 58.669 0.200 1 1015 200 102 TYR CB C 38.406 0.200 1 1016 200 102 TYR N N 123.827 0.050 1 1017 201 103 GLN H H 7.122 0.010 1 1018 201 103 GLN HA H 3.944 0.010 1 1019 201 103 GLN HB2 H 1.472 0.010 2 1020 201 103 GLN HB3 H 1.472 0.010 2 1021 201 103 GLN HG2 H 1.751 0.010 2 1022 201 103 GLN HG3 H 1.618 0.010 2 1023 201 103 GLN HE21 H 7.652 0.010 2 1024 201 103 GLN HE22 H 6.908 0.010 2 1025 201 103 GLN CA C 54.836 0.200 1 1026 201 103 GLN CB C 28.000 0.200 1 1027 201 103 GLN CG C 33.477 0.200 1 1028 201 103 GLN N N 119.372 0.050 1 1029 201 103 GLN NE2 N 112.159 0.050 1 1030 202 104 LYS H H 7.218 0.010 1 1031 202 104 LYS HA H 4.135 0.010 1 1032 202 104 LYS HB2 H 1.680 0.010 2 1033 202 104 LYS HB3 H 1.607 0.010 2 1034 202 104 LYS HG2 H 1.205 0.010 2 1035 202 104 LYS HG3 H 1.205 0.010 2 1036 202 104 LYS HD2 H 1.606 0.010 2 1037 202 104 LYS HD3 H 1.606 0.010 2 1038 202 104 LYS HE2 H 2.938 0.010 2 1039 202 104 LYS HE3 H 2.938 0.010 2 1040 202 104 LYS CA C 55.110 0.200 1 1041 202 104 LYS CB C 34.298 0.200 1 1042 202 104 LYS CG C 23.892 0.200 1 1043 202 104 LYS CD C 29.095 0.200 1 1044 202 104 LYS CE C 41.965 0.200 1 1045 202 104 LYS N N 123.738 0.050 1 1046 203 105 ASP H H 8.812 0.010 1 1047 203 105 ASP HA H 4.422 0.010 1 1048 203 105 ASP HB2 H 2.709 0.010 2 1049 203 105 ASP HB3 H 2.709 0.010 2 1050 203 105 ASP CA C 56.205 0.200 1 1051 203 105 ASP CB C 41.692 0.200 1 1052 203 105 ASP N N 122.644 0.050 1 1053 204 106 GLY H H 9.092 0.010 1 1054 204 106 GLY HA2 H 4.348 0.010 2 1055 204 106 GLY HA3 H 3.656 0.010 2 1056 204 106 GLY CA C 45.525 0.200 1 1057 204 106 GLY N N 114.956 0.050 1 1058 205 107 SER H H 7.865 0.010 1 1059 205 107 SER HA H 4.463 0.010 1 1060 205 107 SER HB2 H 3.945 0.010 2 1061 205 107 SER HB3 H 3.945 0.010 2 1062 205 107 SER CA C 59.765 0.200 1 1063 205 107 SER CB C 64.146 0.200 1 1064 205 107 SER N N 117.200 0.050 1 1065 206 108 LYS H H 8.603 0.010 1 1066 206 108 LYS HA H 5.315 0.010 1 1067 206 108 LYS HB2 H 1.776 0.010 2 1068 206 108 LYS HB3 H 1.776 0.010 2 1069 206 108 LYS HG2 H 1.683 0.010 2 1070 206 108 LYS HG3 H 1.683 0.010 2 1071 206 108 LYS HD2 H 1.534 0.010 2 1072 206 108 LYS HD3 H 1.320 0.010 2 1073 206 108 LYS HE2 H 2.953 0.010 2 1074 206 108 LYS HE3 H 2.953 0.010 2 1075 206 108 LYS CA C 55.110 0.200 1 1076 206 108 LYS CB C 35.393 0.200 1 1077 206 108 LYS CG C 24.988 0.200 1 1078 206 108 LYS CD C 29.095 0.200 1 1079 206 108 LYS CE C 41.965 0.200 1 1080 206 108 LYS N N 122.239 0.050 1 1081 207 109 VAL H H 8.955 0.010 1 1082 207 109 VAL HA H 4.541 0.010 1 1083 207 109 VAL HB H 2.021 0.010 1 1084 207 109 VAL HG1 H 0.890 0.010 2 1085 207 109 VAL HG2 H 0.975 0.010 2 1086 207 109 VAL CA C 60.586 0.200 1 1087 207 109 VAL CB C 35.120 0.200 1 1088 207 109 VAL CG1 C 22.249 0.200 1 1089 207 109 VAL CG2 C 20.880 0.200 1 1090 207 109 VAL N N 121.460 0.050 1 1091 208 110 GLU H H 8.220 0.010 1 1092 208 110 GLU HA H 5.900 0.010 1 1093 208 110 GLU HB2 H 2.236 0.010 2 1094 208 110 GLU HB3 H 1.925 0.010 2 1095 208 110 GLU HG2 H 2.629 0.010 2 1096 208 110 GLU HG3 H 2.360 0.010 2 1097 208 110 GLU CA C 54.288 0.200 1 1098 208 110 GLU CB C 35.120 0.200 1 1099 208 110 GLU CG C 37.036 0.200 1 1100 208 110 GLU N N 124.434 0.050 1 1101 209 111 PHE H H 9.581 0.010 1 1102 209 111 PHE HA H 6.474 0.010 1 1103 209 111 PHE HB2 H 3.149 0.010 2 1104 209 111 PHE HB3 H 2.947 0.010 2 1105 209 111 PHE HD1 H 6.494 0.010 1 1106 209 111 PHE HD2 H 6.494 0.010 1 1107 209 111 PHE HE1 H 6.663 0.010 1 1108 209 111 PHE HE2 H 6.663 0.010 1 1109 209 111 PHE CA C 56.205 0.200 1 1110 209 111 PHE CB C 42.513 0.200 1 1111 209 111 PHE N N 115.263 0.050 1 1112 210 112 CYS H H 9.632 0.010 1 1113 210 112 CYS HA H 5.133 0.010 1 1114 210 112 CYS HB2 H 3.596 0.010 2 1115 210 112 CYS HB3 H 3.252 0.010 2 1116 210 112 CYS CA C 55.931 0.200 1 1117 210 112 CYS CB C 30.738 0.200 1 1118 210 112 CYS N N 115.055 0.050 1 1119 211 113 ILE H H 9.042 0.010 1 1120 211 113 ILE HA H 4.826 0.010 1 1121 211 113 ILE HB H 1.834 0.010 1 1122 211 113 ILE HG12 H 1.570 0.010 2 1123 211 113 ILE HG13 H 1.570 0.010 2 1124 211 113 ILE HG2 H 0.575 0.010 1 1125 211 113 ILE HD1 H 0.672 0.010 1 1126 211 113 ILE CA C 60.860 0.200 1 1127 211 113 ILE CB C 41.418 0.200 1 1128 211 113 ILE CG1 C 28.000 0.200 1 1129 211 113 ILE CG2 C 17.320 0.200 1 1130 211 113 ILE CD1 C 15.130 0.200 1 1131 211 113 ILE N N 120.292 0.050 1 1132 212 114 ARG H H 9.115 0.010 1 1133 212 114 ARG HA H 4.210 0.010 1 1134 212 114 ARG HB2 H 1.212 0.010 2 1135 212 114 ARG HB3 H 0.048 0.010 2 1136 212 114 ARG HG2 H 0.621 0.010 2 1137 212 114 ARG HG3 H -0.162 0.010 2 1138 212 114 ARG HD2 H 2.711 0.010 2 1139 212 114 ARG HD3 H 2.291 0.010 2 1140 212 114 ARG CA C 54.562 0.200 1 1141 212 114 ARG CB C 32.929 0.200 1 1142 212 114 ARG CG C 29.095 0.200 1 1143 212 114 ARG CD C 43.335 0.200 1 1144 212 114 ARG N N 128.279 0.050 1 1145 213 115 TYR H H 9.255 0.010 1 1146 213 115 TYR HA H 5.469 0.010 1 1147 213 115 TYR HB2 H 3.312 0.010 2 1148 213 115 TYR HB3 H 2.456 0.010 2 1149 213 115 TYR HD1 H 6.854 0.010 1 1150 213 115 TYR HD2 H 6.854 0.010 1 1151 213 115 TYR HE1 H 6.421 0.010 1 1152 213 115 TYR HE2 H 6.421 0.010 1 1153 213 115 TYR CA C 52.645 0.200 1 1154 213 115 TYR CB C 39.501 0.200 1 1155 213 115 TYR N N 129.561 0.050 1 1156 214 116 GLU H H 9.442 0.010 1 1157 214 116 GLU HA H 4.528 0.010 1 1158 214 116 GLU HB2 H 1.945 0.010 2 1159 214 116 GLU HB3 H 1.945 0.010 2 1160 214 116 GLU HG2 H 2.089 0.010 2 1161 214 116 GLU HG3 H 2.089 0.010 2 1162 214 116 GLU CA C 55.931 0.200 1 1163 214 116 GLU CB C 30.738 0.200 1 1164 214 116 GLU CG C 35.393 0.200 1 1165 214 116 GLU N N 127.490 0.050 1 1166 215 117 THR H H 7.566 0.010 1 1167 215 117 THR HA H 5.064 0.010 1 1168 215 117 THR HB H 4.353 0.010 1 1169 215 117 THR HG2 H 0.362 0.010 1 1170 215 117 THR CA C 59.765 0.200 1 1171 215 117 THR CB C 73.183 0.200 1 1172 215 117 THR CG2 C 20.333 0.200 1 1173 215 117 THR N N 112.986 0.050 1 1174 216 118 SER H H 8.069 0.010 1 1175 216 118 SER HA H 4.360 0.010 1 1176 216 118 SER HB2 H 3.973 0.010 2 1177 216 118 SER HB3 H 3.973 0.010 2 1178 216 118 SER CA C 60.039 0.200 1 1179 216 118 SER CB C 62.777 0.200 1 1180 216 118 SER N N 113.374 0.050 1 1181 217 119 VAL H H 7.965 0.010 1 1182 217 119 VAL HA H 4.534 0.010 1 1183 217 119 VAL HB H 2.452 0.010 1 1184 217 119 VAL HG1 H 0.888 0.010 2 1185 217 119 VAL HG2 H 0.822 0.010 2 1186 217 119 VAL CA C 60.586 0.200 1 1187 217 119 VAL CB C 31.286 0.200 1 1188 217 119 VAL CG1 C 21.428 0.200 1 1189 217 119 VAL CG2 C 19.237 0.200 1 1190 217 119 VAL N N 112.866 0.050 1 1191 218 120 GLY H H 6.900 0.010 1 1192 218 120 GLY HA2 H 4.088 0.010 2 1193 218 120 GLY HA3 H 3.576 0.010 2 1194 218 120 GLY CA C 44.430 0.200 1 1195 218 120 GLY N N 109.366 0.050 1 1196 219 121 THR H H 8.128 0.010 1 1197 219 121 THR HA H 4.779 0.010 1 1198 219 121 THR HB H 3.653 0.010 1 1199 219 121 THR HG2 H 0.619 0.010 1 1200 219 121 THR CA C 61.682 0.200 1 1201 219 121 THR CB C 69.897 0.200 1 1202 219 121 THR CG2 C 21.976 0.200 1 1203 219 121 THR N N 119.025 0.050 1 1204 220 122 PHE H H 9.157 0.010 1 1205 220 122 PHE HA H 4.859 0.010 1 1206 220 122 PHE HB2 H 3.481 0.010 2 1207 220 122 PHE HB3 H 2.788 0.010 2 1208 220 122 PHE CA C 56.753 0.200 1 1209 220 122 PHE CB C 41.418 0.200 1 1210 220 122 PHE N N 127.441 0.050 1 1211 221 123 TRP H H 9.078 0.010 1 1212 221 123 TRP HA H 5.606 0.010 1 1213 221 123 TRP HB2 H 3.116 0.010 2 1214 221 123 TRP HB3 H 2.964 0.010 2 1215 221 123 TRP HD1 H 7.171 0.010 1 1216 221 123 TRP HE1 H 10.204 0.010 1 1217 221 123 TRP HE3 H 7.504 0.010 1 1218 221 123 TRP HZ2 H 7.361 0.010 1 1219 221 123 TRP HZ3 H 6.790 0.010 1 1220 221 123 TRP HH2 H 6.732 0.010 1 1221 221 123 TRP CA C 55.931 0.200 1 1222 221 123 TRP CB C 31.012 0.200 1 1223 221 123 TRP N N 123.708 0.050 1 1224 221 123 TRP NE1 N 129.997 0.050 1 1225 222 124 SER H H 9.642 0.010 1 1226 222 124 SER HA H 5.132 0.010 1 1227 222 124 SER HB2 H 4.056 0.010 2 1228 222 124 SER HB3 H 3.978 0.010 2 1229 222 124 SER CA C 57.026 0.200 1 1230 222 124 SER CB C 64.968 0.200 1 1231 222 124 SER N N 118.923 0.050 1 1232 223 125 ASN H H 9.004 0.010 1 1233 223 125 ASN HA H 4.670 0.010 1 1234 223 125 ASN HB2 H 3.114 0.010 2 1235 223 125 ASN HB3 H 2.603 0.010 2 1236 223 125 ASN HD21 H 7.377 0.010 2 1237 223 125 ASN HD22 H 6.643 0.010 2 1238 223 125 ASN CA C 51.550 0.200 1 1239 223 125 ASN CB C 37.858 0.200 1 1240 223 125 ASN N N 124.936 0.050 1 1241 223 125 ASN ND2 N 110.465 0.050 1 1242 224 126 ASN HA H 4.190 0.010 1 1243 224 126 ASN HB2 H 2.429 0.010 2 1244 224 126 ASN HB3 H 0.480 0.010 2 1245 224 126 ASN HD21 H 6.949 0.010 2 1246 224 126 ASN HD22 H 6.917 0.010 2 1247 224 126 ASN CA C 52.371 0.200 1 1248 224 126 ASN CB C 35.667 0.200 1 1249 224 126 ASN ND2 N 110.691 0.050 1 1250 225 127 ASN H H 8.768 0.010 1 1251 225 127 ASN HA H 4.327 0.010 1 1252 225 127 ASN HB2 H 2.967 0.010 2 1253 225 127 ASN HB3 H 2.718 0.010 2 1254 225 127 ASN HD21 H 7.538 0.010 2 1255 225 127 ASN HD22 H 6.858 0.010 2 1256 225 127 ASN CA C 54.288 0.200 1 1257 225 127 ASN CB C 37.310 0.200 1 1258 225 127 ASN N N 115.920 0.050 1 1259 225 127 ASN ND2 N 113.740 0.050 1 1260 226 128 GLY H H 7.444 0.010 1 1261 226 128 GLY HA2 H 4.299 0.010 2 1262 226 128 GLY HA3 H 3.477 0.010 2 1263 226 128 GLY CA C 45.251 0.200 1 1264 226 128 GLY N N 104.550 0.050 1 1265 227 129 THR H H 7.176 0.010 1 1266 227 129 THR HA H 4.298 0.010 1 1267 227 129 THR HB H 4.165 0.010 1 1268 227 129 THR HG2 H 1.149 0.010 1 1269 227 129 THR CA C 61.682 0.200 1 1270 227 129 THR CB C 70.444 0.200 1 1271 227 129 THR CG2 C 21.976 0.200 1 1272 227 129 THR N N 111.964 0.050 1 1273 228 130 ASN HA H 4.015 0.010 1 1274 228 130 ASN HB2 H 3.228 0.010 2 1275 228 130 ASN HB3 H 2.687 0.010 2 1276 228 130 ASN HD21 H 7.585 0.010 2 1277 228 130 ASN HD22 H 6.268 0.010 2 1278 228 130 ASN CA C 55.110 0.200 1 1279 228 130 ASN CB C 38.406 0.200 1 1280 228 130 ASN ND2 N 112.836 0.050 1 1281 229 131 TYR H H 8.355 0.010 1 1282 229 131 TYR HA H 3.896 0.010 1 1283 229 131 TYR HB2 H 1.355 0.010 2 1284 229 131 TYR HB3 H 0.642 0.010 2 1285 229 131 TYR HD1 H 5.953 0.010 1 1286 229 131 TYR HD2 H 5.953 0.010 1 1287 229 131 TYR HE1 H 6.495 0.010 1 1288 229 131 TYR HE2 H 6.495 0.010 1 1289 229 131 TYR CA C 58.669 0.200 1 1290 229 131 TYR CB C 37.036 0.200 1 1291 229 131 TYR N N 119.605 0.050 1 1292 230 132 THR H H 8.069 0.010 1 1293 230 132 THR HA H 5.558 0.010 1 1294 230 132 THR HB H 4.043 0.010 1 1295 230 132 THR HG2 H 1.268 0.010 1 1296 230 132 THR CA C 62.503 0.200 1 1297 230 132 THR CB C 70.444 0.200 1 1298 230 132 THR CG2 C 22.797 0.200 1 1299 230 132 THR N N 118.972 0.050 1 1300 231 133 LEU H H 9.366 0.010 1 1301 231 133 LEU HA H 5.262 0.010 1 1302 231 133 LEU HB2 H 1.750 0.010 2 1303 231 133 LEU HB3 H 1.404 0.010 2 1304 231 133 LEU HG H 2.020 0.010 1 1305 231 133 LEU HD1 H 1.081 0.010 2 1306 231 133 LEU HD2 H 1.183 0.010 2 1307 231 133 LEU CA C 53.193 0.200 1 1308 231 133 LEU CB C 46.347 0.200 1 1309 231 133 LEU CG C 27.178 0.200 1 1310 231 133 LEU CD1 C 26.905 0.200 1 1311 231 133 LEU CD2 C 26.083 0.200 1 1312 231 133 LEU N N 125.108 0.050 1 1313 232 134 VAL H H 9.057 0.010 1 1314 232 134 VAL HA H 4.981 0.010 1 1315 232 134 VAL HB H 1.883 0.010 1 1316 232 134 VAL HG1 H 0.890 0.010 2 1317 232 134 VAL HG2 H 0.616 0.010 2 1318 232 134 VAL CA C 59.491 0.200 1 1319 232 134 VAL CB C 35.120 0.200 1 1320 232 134 VAL CG1 C 20.880 0.200 1 1321 232 134 VAL CG2 C 20.333 0.200 1 1322 232 134 VAL N N 118.868 0.050 1 1323 233 135 CYS H H 8.975 0.010 1 1324 233 135 CYS HA H 5.037 0.010 1 1325 233 135 CYS HB2 H 3.152 0.010 2 1326 233 135 CYS HB3 H 2.297 0.010 2 1327 233 135 CYS CA C 58.122 0.200 1 1328 233 135 CYS CB C 27.452 0.200 1 1329 233 135 CYS N N 127.646 0.050 1 1330 234 136 GLN H H 9.224 0.010 1 1331 234 136 GLN HA H 5.188 0.010 1 1332 234 136 GLN HB2 H 2.011 0.010 2 1333 234 136 GLN HB3 H 1.912 0.010 2 1334 234 136 GLN HG2 H 2.253 0.010 2 1335 234 136 GLN HG3 H 2.224 0.010 2 1336 234 136 GLN HE21 H 7.409 0.010 2 1337 234 136 GLN HE22 H 6.766 0.010 2 1338 234 136 GLN CA C 54.014 0.200 1 1339 234 136 GLN CB C 32.655 0.200 1 1340 234 136 GLN CG C 33.750 0.200 1 1341 234 136 GLN N N 127.581 0.050 1 1342 234 136 GLN NE2 N 111.482 0.050 1 1343 235 137 LYS H H 8.909 0.010 1 1344 235 137 LYS HA H 4.030 0.010 1 1345 235 137 LYS HB2 H 1.619 0.010 2 1346 235 137 LYS HB3 H 1.504 0.010 2 1347 235 137 LYS HG2 H 1.113 0.010 2 1348 235 137 LYS HG3 H 1.013 0.010 2 1349 235 137 LYS HD2 H 1.504 0.010 2 1350 235 137 LYS HD3 H 1.504 0.010 2 1351 235 137 LYS HE2 H 2.851 0.010 2 1352 235 137 LYS HE3 H 2.851 0.010 2 1353 235 137 LYS CA C 56.753 0.200 1 1354 235 137 LYS CB C 33.203 0.200 1 1355 235 137 LYS CG C 24.988 0.200 1 1356 235 137 LYS CD C 29.369 0.200 1 1357 235 137 LYS CE C 41.965 0.200 1 1358 235 137 LYS N N 124.479 0.050 1 1359 236 138 LYS H H 8.419 0.010 1 1360 236 138 LYS HA H 4.066 0.010 1 1361 236 138 LYS HB2 H 1.626 0.010 2 1362 236 138 LYS HB3 H 1.387 0.010 2 1363 236 138 LYS HG2 H 1.288 0.010 2 1364 236 138 LYS HG3 H 1.288 0.010 2 1365 236 138 LYS HD2 H 1.503 0.010 2 1366 236 138 LYS HD3 H 1.503 0.010 2 1367 236 138 LYS HE2 H 2.851 0.010 2 1368 236 138 LYS HE3 H 2.851 0.010 2 1369 236 138 LYS CA C 56.752 0.200 1 1370 236 138 LYS CB C 33.395 0.200 1 1371 236 138 LYS CG C 24.714 0.200 1 1372 236 138 LYS CD C 29.095 0.200 1 1373 236 138 LYS CE C 41.965 0.200 1 1374 236 138 LYS N N 127.561 0.050 1 1375 237 139 GLU H H 8.030 0.010 1 1376 237 139 GLU HA H 4.069 0.010 1 1377 237 139 GLU HB2 H 1.949 0.010 2 1378 237 139 GLU HB3 H 1.800 0.010 2 1379 237 139 GLU HG2 H 2.105 0.010 2 1380 237 139 GLU HG3 H 2.105 0.010 2 1381 237 139 GLU CA C 57.848 0.200 1 1382 237 139 GLU CB C 31.286 0.200 1 1383 237 139 GLU CG C 36.489 0.200 1 1384 237 139 GLU N N 129.651 0.050 1 stop_ save_