data_25104 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CYCLOPHILIN A COMPLEXED WITH A FRAGMENT OF CRK-II ; _BMRB_accession_number 25104 _BMRB_flat_file_name bmr25104.str _Entry_type original _Submission_date 2014-07-22 _Accession_date 2014-07-22 _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 Jankowski Wojciech . . 2 Saleh Tamjeed . . 3 Rossi Paolo . . 4 Kalodimos Charalampos . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 874 "13C chemical shifts" 670 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-13 update author 'update residue MET assignments' 2015-09-10 original author 'original release' stop_ _Original_release_date 2015-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; STRUCTURAL BASIS FOR THE REGULATION OF CRKII BY CYCLOPHILIN A ; _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 Jankowski Wojciech . . 2 Saleh Tamjeed . . 3 Rossi Paolo . . 4 Kalodimos Charalampos . . 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 'CYCLOPHILIN A COMPLEXED WITH A FRAGMENT OF CRK-II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18036.637 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 ASN 4 4 PRO 5 5 THR 6 6 VAL 7 7 PHE 8 8 PHE 9 9 ASP 10 10 ILE 11 11 ALA 12 12 VAL 13 13 ASP 14 14 GLY 15 15 GLU 16 16 PRO 17 17 LEU 18 18 GLY 19 19 ARG 20 20 VAL 21 21 SER 22 22 PHE 23 23 GLU 24 24 LEU 25 25 PHE 26 26 ALA 27 27 ASP 28 28 LYS 29 29 VAL 30 30 PRO 31 31 LYS 32 32 THR 33 33 ALA 34 34 GLU 35 35 ASN 36 36 PHE 37 37 ARG 38 38 ALA 39 39 LEU 40 40 SER 41 41 THR 42 42 GLY 43 43 GLU 44 44 LYS 45 45 GLY 46 46 PHE 47 47 GLY 48 48 TYR 49 49 LYS 50 50 GLY 51 51 SER 52 52 CYS 53 53 PHE 54 54 HIS 55 55 ARG 56 56 ILE 57 57 ILE 58 58 PRO 59 59 GLY 60 60 PHE 61 61 MET 62 62 CYS 63 63 GLN 64 64 GLY 65 65 GLY 66 66 ASP 67 67 PHE 68 68 THR 69 69 ARG 70 70 HIS 71 71 ASN 72 72 GLY 73 73 THR 74 74 GLY 75 75 GLY 76 76 LYS 77 77 SER 78 78 ILE 79 79 TYR 80 80 GLY 81 81 GLU 82 82 LYS 83 83 PHE 84 84 GLU 85 85 ASP 86 86 GLU 87 87 ASN 88 88 PHE 89 89 ILE 90 90 LEU 91 91 LYS 92 92 HIS 93 93 THR 94 94 GLY 95 95 PRO 96 96 GLY 97 97 ILE 98 98 LEU 99 99 SER 100 100 MET 101 101 ALA 102 102 ASN 103 103 ALA 104 104 GLY 105 105 PRO 106 106 ASN 107 107 THR 108 108 ASN 109 109 GLY 110 110 SER 111 111 GLN 112 112 PHE 113 113 PHE 114 114 ILE 115 115 CYS 116 116 THR 117 117 ALA 118 118 LYS 119 119 THR 120 120 GLU 121 121 TRP 122 122 LEU 123 123 ASP 124 124 GLY 125 125 LYS 126 126 HIS 127 127 VAL 128 128 VAL 129 129 PHE 130 130 GLY 131 131 LYS 132 132 VAL 133 133 LYS 134 134 GLU 135 135 GLY 136 136 MET 137 137 ASN 138 138 ILE 139 139 VAL 140 140 GLU 141 141 ALA 142 142 MET 143 143 GLU 144 144 ARG 145 145 PHE 146 146 GLY 147 147 SER 148 148 ARG 149 149 ASN 150 150 GLY 151 151 LYS 152 152 THR 153 153 SER 154 154 LYS 155 155 LYS 156 156 ILE 157 157 THR 158 158 ILE 159 159 ALA 160 160 ASP 161 161 CYS 162 162 GLY 163 163 GLN 164 164 LEU 165 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 955.032 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; PEPGPYAQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 218 PRO 2 219 GLU 3 220 PRO 4 221 GLY 5 222 PRO 6 223 TYR 7 224 ALA 8 225 GLN 9 226 PRO 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 $entity_1 human 9606 Eukaryota Metazoa Homo sapiens $entity_2 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . PET28A $entity_2 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 700 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 305 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 176.113 . . 2 2 2 VAL H H 8.447 . . 3 2 2 VAL HA H 4.126 . . 4 2 2 VAL HB H 2.006 . . 5 2 2 VAL HG1 H 0.921 . . 6 2 2 VAL HG2 H 0.878 . . 7 2 2 VAL C C 176.404 . . 8 2 2 VAL CA C 61.417 . . 9 2 2 VAL CB C 33.763 . . 10 2 2 VAL CG1 C 20.981 . . 11 2 2 VAL CG2 C 20.397 . . 12 2 2 VAL N N 111.261 . . 13 3 3 ASN H H 8.666 . . 14 3 3 ASN HA H 5.205 . . 15 3 3 ASN HB2 H 3.693 . . 16 3 3 ASN HB3 H 3.678 . . 17 3 3 ASN HD21 H 7.139 . . 18 3 3 ASN HD22 H 8.560 . . 19 3 3 ASN CA C 50.987 . . 20 3 3 ASN CB C 38.031 . . 21 3 3 ASN N N 126.056 . . 22 3 3 ASN ND2 N 110.948 . . 23 4 4 PRO HA H 4.818 . . 24 4 4 PRO HB2 H 2.416 . . 25 4 4 PRO HB3 H 1.759 . . 26 4 4 PRO HG2 H 2.230 . . 27 4 4 PRO HG3 H 2.150 . . 28 4 4 PRO HD2 H 4.139 . . 29 4 4 PRO HD3 H 4.118 . . 30 4 4 PRO C C 176.242 . . 31 4 4 PRO CA C 62.832 . . 32 4 4 PRO CB C 33.162 . . 33 4 4 PRO CG C 26.923 . . 34 4 4 PRO CD C 50.751 . . 35 5 5 THR H H 8.787 . . 36 5 5 THR HA H 5.759 . . 37 5 5 THR HB H 4.102 . . 38 5 5 THR HG2 H 1.249 . . 39 5 5 THR C C 176.483 . . 40 5 5 THR CA C 60.867 . . 41 5 5 THR CB C 71.050 . . 42 5 5 THR CG2 C 22.342 . . 43 5 5 THR N N 115.265 . . 44 6 6 VAL H H 8.805 . . 45 6 6 VAL HA H 5.379 . . 46 6 6 VAL HB H 2.365 . . 47 6 6 VAL HG1 H 1.105 . . 48 6 6 VAL HG2 H 1.117 . . 49 6 6 VAL C C 174.710 . . 50 6 6 VAL CA C 58.881 . . 51 6 6 VAL CB C 36.180 . . 52 6 6 VAL CG1 C 21.836 . . 53 6 6 VAL CG2 C 20.838 . . 54 6 6 VAL N N 120.640 . . 55 7 7 PHE H H 8.995 . . 56 7 7 PHE HA H 5.948 . . 57 7 7 PHE HB2 H 2.903 . . 58 7 7 PHE HB3 H 2.706 . . 59 7 7 PHE HD1 H 6.759 . . 60 7 7 PHE HD2 H 6.759 . . 61 7 7 PHE HE1 H 7.052 . . 62 7 7 PHE HE2 H 7.052 . . 63 7 7 PHE HZ H 6.932 . . 64 7 7 PHE C C 173.634 . . 65 7 7 PHE CA C 55.925 . . 66 7 7 PHE CB C 43.166 . . 67 7 7 PHE CD1 C 132.182 . . 68 7 7 PHE CD2 C 132.182 . . 69 7 7 PHE CE1 C 130.770 . . 70 7 7 PHE CE2 C 130.770 . . 71 7 7 PHE CZ C 130.756 . . 72 7 7 PHE N N 119.359 . . 73 8 8 PHE H H 9.571 . . 74 8 8 PHE HA H 5.367 . . 75 8 8 PHE HB2 H 3.504 . . 76 8 8 PHE HB3 H 3.321 . . 77 8 8 PHE HD1 H 7.504 . . 78 8 8 PHE HD2 H 7.504 . . 79 8 8 PHE HE1 H 7.168 . . 80 8 8 PHE HE2 H 7.168 . . 81 8 8 PHE HZ H 7.206 . . 82 8 8 PHE C C 176.000 . . 83 8 8 PHE CA C 53.460 . . 84 8 8 PHE CB C 42.791 . . 85 8 8 PHE CD1 C 129.219 . . 86 8 8 PHE CD2 C 129.219 . . 87 8 8 PHE CE1 C 131.330 . . 88 8 8 PHE CE2 C 131.330 . . 89 8 8 PHE CZ C 130.875 . . 90 8 8 PHE N N 117.097 . . 91 9 9 ASP H H 9.301 . . 92 9 9 ASP HA H 5.585 . . 93 9 9 ASP HB2 H 2.900 . . 94 9 9 ASP HB3 H 2.569 . . 95 9 9 ASP C C 176.286 . . 96 9 9 ASP CA C 54.831 . . 97 9 9 ASP CB C 41.366 . . 98 9 9 ASP N N 124.287 . . 99 10 10 ILE H H 9.059 . . 100 10 10 ILE HA H 5.213 . . 101 10 10 ILE HB H 2.101 . . 102 10 10 ILE HG12 H 1.887 . . 103 10 10 ILE HG13 H 1.699 . . 104 10 10 ILE HG2 H 1.010 . . 105 10 10 ILE HD1 H 1.045 . . 106 10 10 ILE C C 177.031 . . 107 10 10 ILE CA C 58.233 . . 108 10 10 ILE CB C 37.769 . . 109 10 10 ILE CG1 C 27.325 . . 110 10 10 ILE CG2 C 18.568 . . 111 10 10 ILE CD1 C 11.532 . . 112 10 10 ILE N N 124.286 . . 113 11 11 ALA H H 9.642 . . 114 11 11 ALA HA H 5.216 . . 115 11 11 ALA HB H 1.115 . . 116 11 11 ALA C C 175.928 . . 117 11 11 ALA CA C 50.948 . . 118 11 11 ALA CB C 22.804 . . 119 11 11 ALA N N 132.503 . . 120 12 12 VAL H H 8.984 . . 121 12 12 VAL HA H 4.578 . . 122 12 12 VAL HB H 1.840 . . 123 12 12 VAL HG1 H 0.700 . . 124 12 12 VAL HG2 H 0.396 . . 125 12 12 VAL C C 177.347 . . 126 12 12 VAL CA C 60.457 . . 127 12 12 VAL CB C 33.301 . . 128 12 12 VAL CG1 C 21.765 . . 129 12 12 VAL CG2 C 21.282 . . 130 12 12 VAL N N 118.551 . . 131 13 13 ASP H H 9.868 . . 132 13 13 ASP HA H 4.359 . . 133 13 13 ASP HB2 H 3.154 . . 134 13 13 ASP HB3 H 2.557 . . 135 13 13 ASP C C 176.795 . . 136 13 13 ASP CA C 55.880 . . 137 13 13 ASP CB C 39.999 . . 138 13 13 ASP N N 131.009 . . 139 14 14 GLY H H 8.578 . . 140 14 14 GLY HA2 H 4.272 . . 141 14 14 GLY HA3 H 3.494 . . 142 14 14 GLY C C 174.700 . . 143 14 14 GLY CA C 45.303 . . 144 14 14 GLY N N 101.848 . . 145 15 15 GLU H H 8.086 . . 146 15 15 GLU HA H 4.891 . . 147 15 15 GLU HB2 H 2.127 . . 148 15 15 GLU HB3 H 2.024 . . 149 15 15 GLU HG2 H 2.335 . . 150 15 15 GLU HG3 H 2.245 . . 151 15 15 GLU CA C 52.932 . . 152 15 15 GLU CB C 30.468 . . 153 15 15 GLU CG C 35.643 . . 154 15 15 GLU N N 123.331 . . 155 16 16 PRO HA H 4.240 . . 156 16 16 PRO HB2 H 2.376 . . 157 16 16 PRO HB3 H 1.935 . . 158 16 16 PRO HG2 H 2.209 . . 159 16 16 PRO HG3 H 2.027 . . 160 16 16 PRO HD2 H 3.998 . . 161 16 16 PRO HD3 H 3.782 . . 162 16 16 PRO C C 177.072 . . 163 16 16 PRO CA C 64.838 . . 164 16 16 PRO CB C 32.368 . . 165 16 16 PRO CG C 27.790 . . 166 16 16 PRO CD C 51.000 . . 167 17 17 LEU H H 9.237 . . 168 17 17 LEU HA H 4.739 . . 169 17 17 LEU HB2 H 1.647 . . 170 17 17 LEU HB3 H 1.465 . . 171 17 17 LEU HD1 H 0.877 . . 172 17 17 LEU HD2 H 1.030 . . 173 17 17 LEU C C 176.975 . . 174 17 17 LEU CA C 55.511 . . 175 17 17 LEU CB C 44.257 . . 176 17 17 LEU CD1 C 25.839 . . 177 17 17 LEU CD2 C 22.788 . . 178 17 17 LEU N N 126.051 . . 179 18 18 GLY H H 7.303 . . 180 18 18 GLY HA2 H 4.342 . . 181 18 18 GLY HA3 H 3.595 . . 182 18 18 GLY C C 170.997 . . 183 18 18 GLY CA C 44.713 . . 184 18 18 GLY N N 102.496 . . 185 19 19 ARG H H 8.348 . . 186 19 19 ARG HA H 5.665 . . 187 19 19 ARG HB2 H 2.036 . . 188 19 19 ARG HB3 H 1.664 . . 189 19 19 ARG C C 176.011 . . 190 19 19 ARG CA C 55.106 . . 191 19 19 ARG CB C 33.587 . . 192 19 19 ARG N N 121.330 . . 193 20 20 VAL H H 9.400 . . 194 20 20 VAL HA H 4.650 . . 195 20 20 VAL HB H 1.792 . . 196 20 20 VAL HG1 H 0.901 . . 197 20 20 VAL HG2 H 0.562 . . 198 20 20 VAL C C 174.836 . . 199 20 20 VAL CA C 59.966 . . 200 20 20 VAL CB C 35.034 . . 201 20 20 VAL CG1 C 22.062 . . 202 20 20 VAL CG2 C 22.364 . . 203 20 20 VAL N N 126.859 . . 204 21 21 SER H H 8.791 . . 205 21 21 SER HA H 5.565 . . 206 21 21 SER HB2 H 3.781 . . 207 21 21 SER HB3 H 3.617 . . 208 21 21 SER C C 174.694 . . 209 21 21 SER CA C 55.462 . . 210 21 21 SER CB C 66.546 . . 211 21 21 SER N N 120.319 . . 212 22 22 PHE H H 9.553 . . 213 22 22 PHE HA H 5.279 . . 214 22 22 PHE HB2 H 2.480 . . 215 22 22 PHE HB3 H 2.358 . . 216 22 22 PHE HD1 H 6.543 . . 217 22 22 PHE HD2 H 6.543 . . 218 22 22 PHE HE1 H 6.177 . . 219 22 22 PHE HE2 H 6.177 . . 220 22 22 PHE HZ H 6.661 . . 221 22 22 PHE C C 176.190 . . 222 22 22 PHE CA C 55.882 . . 223 22 22 PHE CB C 42.673 . . 224 22 22 PHE CD1 C 132.018 . . 225 22 22 PHE CD2 C 132.018 . . 226 22 22 PHE CE1 C 130.574 . . 227 22 22 PHE CE2 C 130.574 . . 228 22 22 PHE CZ C 128.403 . . 229 22 22 PHE N N 119.239 . . 230 23 23 GLU H H 8.791 . . 231 23 23 GLU HA H 4.797 . . 232 23 23 GLU HB2 H 1.870 . . 233 23 23 GLU HB3 H 1.749 . . 234 23 23 GLU HG2 H 1.856 . . 235 23 23 GLU HG3 H 1.856 . . 236 23 23 GLU C C 175.673 . . 237 23 23 GLU CA C 55.119 . . 238 23 23 GLU CB C 32.058 . . 239 23 23 GLU CG C 36.343 . . 240 23 23 GLU N N 123.308 . . 241 24 24 LEU H H 8.198 . . 242 24 24 LEU HA H 4.749 . . 243 24 24 LEU HB2 H 1.935 . . 244 24 24 LEU HB3 H 1.294 . . 245 24 24 LEU HD1 H 1.151 . . 246 24 24 LEU HD2 H 0.516 . . 247 24 24 LEU C C 178.229 . . 248 24 24 LEU CA C 51.899 . . 249 24 24 LEU CB C 43.248 . . 250 24 24 LEU CD1 C 26.921 . . 251 24 24 LEU CD2 C 23.207 . . 252 24 24 LEU N N 122.539 . . 253 25 25 PHE H H 8.864 . . 254 25 25 PHE HA H 5.171 . . 255 25 25 PHE HB2 H 3.307 . . 256 25 25 PHE HB3 H 2.723 . . 257 25 25 PHE HD1 H 6.924 . . 258 25 25 PHE HD2 H 6.924 . . 259 25 25 PHE C C 177.485 . . 260 25 25 PHE CA C 54.699 . . 261 25 25 PHE CB C 36.100 . . 262 25 25 PHE CD1 C 131.564 . . 263 25 25 PHE CD2 C 131.564 . . 264 25 25 PHE N N 124.715 . . 265 26 26 ALA H H 8.480 . . 266 26 26 ALA HA H 3.838 . . 267 26 26 ALA HB H 1.592 . . 268 26 26 ALA C C 177.291 . . 269 26 26 ALA CA C 54.316 . . 270 26 26 ALA CB C 19.002 . . 271 26 26 ALA N N 128.663 . . 272 27 27 ASP H H 9.145 . . 273 27 27 ASP HA H 4.197 . . 274 27 27 ASP HB2 H 2.727 . . 275 27 27 ASP HB3 H 2.679 . . 276 27 27 ASP C C 177.976 . . 277 27 27 ASP CA C 55.410 . . 278 27 27 ASP CB C 38.821 . . 279 27 27 ASP N N 114.191 . . 280 28 28 LYS H H 7.569 . . 281 28 28 LYS HA H 4.599 . . 282 28 28 LYS HB2 H 1.821 . . 283 28 28 LYS HB3 H 1.821 . . 284 28 28 LYS HE2 H 3.045 . . 285 28 28 LYS HE3 H 3.045 . . 286 28 28 LYS C C 177.840 . . 287 28 28 LYS CA C 56.262 . . 288 28 28 LYS CB C 36.006 . . 289 28 28 LYS CE C 42.117 . . 290 28 28 LYS N N 118.107 . . 291 29 29 VAL H H 8.364 . . 292 29 29 VAL HA H 4.487 . . 293 29 29 VAL HB H 2.581 . . 294 29 29 VAL HG1 H 1.349 . . 295 29 29 VAL HG2 H 1.049 . . 296 29 29 VAL CA C 58.309 . . 297 29 29 VAL CB C 32.078 . . 298 29 29 VAL CG1 C 20.733 . . 299 29 29 VAL CG2 C 25.365 . . 300 29 29 VAL N N 114.551 . . 301 30 30 PRO HA H 4.450 . . 302 30 30 PRO HB2 H 2.623 . . 303 30 30 PRO HB3 H 1.998 . . 304 30 30 PRO HG2 H 2.154 . . 305 30 30 PRO HG3 H 2.088 . . 306 30 30 PRO HD2 H 3.586 . . 307 30 30 PRO HD3 H 3.130 . . 308 30 30 PRO C C 181.892 . . 309 30 30 PRO CA C 66.227 . . 310 30 30 PRO CB C 31.547 . . 311 30 30 PRO CG C 27.465 . . 312 30 30 PRO CD C 50.579 . . 313 31 31 LYS H H 10.684 . . 314 31 31 LYS HA H 4.105 . . 315 31 31 LYS HB2 H 1.744 . . 316 31 31 LYS HB3 H 1.588 . . 317 31 31 LYS HD3 H 1.367 . . 318 31 31 LYS HE2 H 2.148 . . 319 31 31 LYS HE3 H 1.941 . . 320 31 31 LYS C C 182.749 . . 321 31 31 LYS CA C 61.057 . . 322 31 31 LYS CB C 32.468 . . 323 31 31 LYS CD C 29.709 . . 324 31 31 LYS CE C 41.243 . . 325 31 31 LYS N N 123.785 . . 326 32 32 THR H H 10.320 . . 327 32 32 THR HA H 4.034 . . 328 32 32 THR HB H 4.201 . . 329 32 32 THR HG2 H 0.964 . . 330 32 32 THR C C 178.673 . . 331 32 32 THR CA C 67.526 . . 332 32 32 THR CB C 68.705 . . 333 32 32 THR CG2 C 22.453 . . 334 32 32 THR N N 124.002 . . 335 33 33 ALA H H 9.311 . . 336 33 33 ALA HA H 4.092 . . 337 33 33 ALA HB H 1.493 . . 338 33 33 ALA C C 179.174 . . 339 33 33 ALA CA C 55.972 . . 340 33 33 ALA CB C 18.414 . . 341 33 33 ALA N N 125.616 . . 342 34 34 GLU H H 8.069 . . 343 34 34 GLU HA H 4.556 . . 344 34 34 GLU HB2 H 2.318 . . 345 34 34 GLU HB3 H 1.806 . . 346 34 34 GLU HG2 H 2.526 . . 347 34 34 GLU HG3 H 2.074 . . 348 34 34 GLU C C 178.418 . . 349 34 34 GLU CA C 58.238 . . 350 34 34 GLU CB C 28.181 . . 351 34 34 GLU CG C 33.693 . . 352 34 34 GLU N N 117.376 . . 353 35 35 ASN H H 7.193 . . 354 35 35 ASN HA H 4.108 . . 355 35 35 ASN HB2 H 2.966 . . 356 35 35 ASN HB3 H 2.450 . . 357 35 35 ASN HD21 H 9.035 . . 358 35 35 ASN HD22 H 6.846 . . 359 35 35 ASN C C 175.568 . . 360 35 35 ASN CA C 56.768 . . 361 35 35 ASN CB C 39.644 . . 362 35 35 ASN N N 115.722 . . 363 35 35 ASN ND2 N 115.311 . . 364 36 36 PHE H H 7.065 . . 365 36 36 PHE HA H 4.158 . . 366 36 36 PHE HB2 H 3.109 . . 367 36 36 PHE HB3 H 2.965 . . 368 36 36 PHE HD1 H 7.030 . . 369 36 36 PHE HD2 H 7.030 . . 370 36 36 PHE C C 179.707 . . 371 36 36 PHE CA C 61.589 . . 372 36 36 PHE CB C 39.948 . . 373 36 36 PHE CD1 C 130.814 . . 374 36 36 PHE CD2 C 130.790 . . 375 36 36 PHE N N 117.929 . . 376 37 37 ARG H H 8.975 . . 377 37 37 ARG HA H 3.685 . . 378 37 37 ARG HB2 H 1.969 . . 379 37 37 ARG HB3 H 2.021 . . 380 37 37 ARG C C 179.000 . . 381 37 37 ARG CA C 60.515 . . 382 37 37 ARG CB C 29.880 . . 383 37 37 ARG N N 121.048 . . 384 38 38 ALA H H 8.741 . . 385 38 38 ALA HA H 4.126 . . 386 38 38 ALA HB H 1.295 . . 387 38 38 ALA C C 183.365 . . 388 38 38 ALA CA C 54.477 . . 389 38 38 ALA CB C 18.405 . . 390 38 38 ALA N N 119.232 . . 391 39 39 LEU H H 8.212 . . 392 39 39 LEU HA H 3.800 . . 393 39 39 LEU HB2 H 1.422 . . 394 39 39 LEU HB3 H -0.265 . . 395 39 39 LEU HG H 0.927 . . 396 39 39 LEU HD1 H 0.926 . . 397 39 39 LEU HD2 H 0.575 . . 398 39 39 LEU C C 180.481 . . 399 39 39 LEU CA C 57.268 . . 400 39 39 LEU CB C 41.218 . . 401 39 39 LEU CG C 27.078 . . 402 39 39 LEU CD1 C 26.589 . . 403 39 39 LEU CD2 C 24.340 . . 404 39 39 LEU N N 120.723 . . 405 40 40 SER H H 7.938 . . 406 40 40 SER HA H 4.341 . . 407 40 40 SER HB2 H 3.617 . . 408 40 40 SER HB3 H 3.585 . . 409 40 40 SER C C 175.380 . . 410 40 40 SER CA C 62.924 . . 411 40 40 SER CB C 62.992 . . 412 40 40 SER N N 119.210 . . 413 41 41 THR H H 8.017 . . 414 41 41 THR HA H 4.508 . . 415 41 41 THR HB H 4.504 . . 416 41 41 THR HG2 H 1.366 . . 417 41 41 THR C C 179.088 . . 418 41 41 THR CA C 62.492 . . 419 41 41 THR CB C 69.663 . . 420 41 41 THR CG2 C 22.579 . . 421 41 41 THR N N 108.556 . . 422 42 42 GLY H H 7.621 . . 423 42 42 GLY HA2 H 3.920 . . 424 42 42 GLY HA3 H 3.539 . . 425 42 42 GLY C C 178.676 . . 426 42 42 GLY CA C 45.840 . . 427 42 42 GLY N N 108.433 . . 428 43 43 GLU H H 8.049 . . 429 43 43 GLU HA H 4.171 . . 430 43 43 GLU HG2 H 1.883 . . 431 43 43 GLU HG3 H 1.883 . . 432 43 43 GLU C C 177.458 . . 433 43 43 GLU CA C 58.580 . . 434 43 43 GLU CG C 35.524 . . 435 43 43 GLU N N 118.777 . . 436 44 44 LYS H H 9.123 . . 437 44 44 LYS HA H 4.342 . . 438 44 44 LYS HB2 H 1.662 . . 439 44 44 LYS HB3 H 0.976 . . 440 44 44 LYS HG3 H 1.098 . . 441 44 44 LYS HD3 H 1.495 . . 442 44 44 LYS HE2 H 2.886 . . 443 44 44 LYS HE3 H 2.744 . . 444 44 44 LYS C C 177.590 . . 445 44 44 LYS CA C 54.405 . . 446 44 44 LYS CB C 30.488 . . 447 44 44 LYS CG C 24.784 . . 448 44 44 LYS CD C 27.655 . . 449 44 44 LYS CE C 42.230 . . 450 44 44 LYS N N 118.526 . . 451 45 45 GLY H H 7.970 . . 452 45 45 GLY HA2 H 4.369 . . 453 45 45 GLY HA3 H 3.603 . . 454 45 45 GLY C C 173.518 . . 455 45 45 GLY CA C 44.612 . . 456 45 45 GLY N N 105.553 . . 457 46 46 PHE H H 6.469 . . 458 46 46 PHE HA H 4.678 . . 459 46 46 PHE HB2 H 3.151 . . 460 46 46 PHE HB3 H 2.753 . . 461 46 46 PHE HD1 H 6.642 . . 462 46 46 PHE HD2 H 6.642 . . 463 46 46 PHE HE1 H 7.009 . . 464 46 46 PHE HE2 H 7.009 . . 465 46 46 PHE HZ H 7.090 . . 466 46 46 PHE C C 173.684 . . 467 46 46 PHE CA C 54.077 . . 468 46 46 PHE CB C 39.658 . . 469 46 46 PHE CD1 C 132.883 . . 470 46 46 PHE CD2 C 132.883 . . 471 46 46 PHE CE1 C 130.819 . . 472 46 46 PHE CE2 C 130.819 . . 473 46 46 PHE CZ C 129.354 . . 474 46 46 PHE N N 113.753 . . 475 47 47 GLY H H 7.756 . . 476 47 47 GLY HA2 H 4.404 . . 477 47 47 GLY HA3 H 2.591 . . 478 47 47 GLY C C 172.446 . . 479 47 47 GLY CA C 45.601 . . 480 47 47 GLY N N 104.722 . . 481 48 48 TYR H H 6.948 . . 482 48 48 TYR HA H 4.270 . . 483 48 48 TYR HB2 H 2.765 . . 484 48 48 TYR HD1 H 6.788 . . 485 48 48 TYR HD2 H 6.790 . . 486 48 48 TYR C C 178.924 . . 487 48 48 TYR CA C 57.365 . . 488 48 48 TYR CB C 38.832 . . 489 48 48 TYR CD1 C 132.026 . . 490 48 48 TYR CD2 C 132.026 . . 491 48 48 TYR N N 113.796 . . 492 49 49 LYS H H 8.493 . . 493 49 49 LYS HA H 3.655 . . 494 49 49 LYS HB2 H 2.012 . . 495 49 49 LYS HB3 H 1.651 . . 496 49 49 LYS HE2 H 3.286 . . 497 49 49 LYS HE3 H 3.117 . . 498 49 49 LYS C C 178.388 . . 499 49 49 LYS CA C 61.018 . . 500 49 49 LYS CB C 31.484 . . 501 49 49 LYS CE C 42.147 . . 502 49 49 LYS N N 124.858 . . 503 50 50 GLY H H 9.509 . . 504 50 50 GLY HA2 H 4.436 . . 505 50 50 GLY HA3 H 3.725 . . 506 50 50 GLY C C 175.259 . . 507 50 50 GLY CA C 45.495 . . 508 50 50 GLY N N 117.833 . . 509 51 51 SER H H 8.436 . . 510 51 51 SER HA H 4.516 . . 511 51 51 SER HB2 H 4.218 . . 512 51 51 SER HB3 H 4.082 . . 513 51 51 SER C C 172.808 . . 514 51 51 SER CA C 59.043 . . 515 51 51 SER CB C 63.781 . . 516 51 51 SER N N 116.413 . . 517 52 52 CYS H H 9.875 . . 518 52 52 CYS HA H 5.932 . . 519 52 52 CYS HB2 H 3.106 . . 520 52 52 CYS HB3 H 3.088 . . 521 52 52 CYS C C 177.437 . . 522 52 52 CYS CA C 55.998 . . 523 52 52 CYS CB C 31.953 . . 524 52 52 CYS N N 115.156 . . 525 53 53 PHE H H 8.732 . . 526 53 53 PHE HA H 4.899 . . 527 53 53 PHE HB2 H 2.972 . . 528 53 53 PHE HB3 H 2.679 . . 529 53 53 PHE HD1 H 6.955 . . 530 53 53 PHE HD2 H 6.954 . . 531 53 53 PHE HE1 H 7.211 . . 532 53 53 PHE HE2 H 7.210 . . 533 53 53 PHE HZ H 7.400 . . 534 53 53 PHE C C 175.886 . . 535 53 53 PHE CA C 58.389 . . 536 53 53 PHE CB C 39.535 . . 537 53 53 PHE CD1 C 131.581 . . 538 53 53 PHE CD2 C 131.572 . . 539 53 53 PHE CE1 C 131.091 . . 540 53 53 PHE CE2 C 131.091 . . 541 53 53 PHE CZ C 128.586 . . 542 53 53 PHE N N 123.068 . . 543 54 54 HIS H H 7.696 . . 544 54 54 HIS HA H 4.763 . . 545 54 54 HIS HB2 H 3.330 . . 546 54 54 HIS HB3 H 2.872 . . 547 54 54 HIS C C 176.409 . . 548 54 54 HIS CA C 57.323 . . 549 54 54 HIS CB C 31.542 . . 550 54 54 HIS N N 120.227 . . 551 55 55 ARG H H 7.089 . . 552 55 55 ARG HA H 5.118 . . 553 55 55 ARG HB2 H 1.430 . . 554 55 55 ARG HB3 H 1.277 . . 555 55 55 ARG HG3 H 1.261 . . 556 55 55 ARG HD2 H 3.213 . . 557 55 55 ARG HD3 H 3.162 . . 558 55 55 ARG C C 174.511 . . 559 55 55 ARG CA C 54.913 . . 560 55 55 ARG CB C 33.805 . . 561 55 55 ARG CG C 28.226 . . 562 55 55 ARG CD C 43.565 . . 563 55 55 ARG N N 123.202 . . 564 56 56 ILE H H 9.201 . . 565 56 56 ILE HA H 4.659 . . 566 56 56 ILE HB H 1.631 . . 567 56 56 ILE HG2 H 1.056 . . 568 56 56 ILE HD1 H 0.898 . . 569 56 56 ILE C C 174.633 . . 570 56 56 ILE CA C 61.585 . . 571 56 56 ILE CB C 41.452 . . 572 56 56 ILE CG2 C 17.772 . . 573 56 56 ILE CD1 C 14.489 . . 574 56 56 ILE N N 126.621 . . 575 57 57 ILE H H 8.753 . . 576 57 57 ILE HA H 5.248 . . 577 57 57 ILE HB H 1.964 . . 578 57 57 ILE HG12 H 1.498 . . 579 57 57 ILE HG13 H 1.498 . . 580 57 57 ILE HG2 H 1.169 . . 581 57 57 ILE HD1 H 0.972 . . 582 57 57 ILE CA C 57.685 . . 583 57 57 ILE CB C 40.236 . . 584 57 57 ILE CG1 C 27.560 . . 585 57 57 ILE CG2 C 17.646 . . 586 57 57 ILE CD1 C 13.674 . . 587 57 57 ILE N N 127.965 . . 588 58 58 PRO HA H 4.382 . . 589 58 58 PRO HB2 H 2.251 . . 590 58 58 PRO HB3 H 1.864 . . 591 58 58 PRO HG3 H 1.938 . . 592 58 58 PRO HD2 H 4.043 . . 593 58 58 PRO HD3 H 3.507 . . 594 58 58 PRO C C 178.669 . . 595 58 58 PRO CA C 63.086 . . 596 58 58 PRO CB C 31.996 . . 597 58 58 PRO CG C 27.059 . . 598 58 58 PRO CD C 52.263 . . 599 59 59 GLY H H 9.752 . . 600 59 59 GLY HA2 H 4.032 . . 601 59 59 GLY HA3 H 3.851 . . 602 59 59 GLY C C 173.281 . . 603 59 59 GLY CA C 45.259 . . 604 59 59 GLY N N 114.176 . . 605 60 60 PHE H H 8.196 . . 606 60 60 PHE HA H 5.153 . . 607 60 60 PHE HB2 H 3.217 . . 608 60 60 PHE HB3 H 3.099 . . 609 60 60 PHE HD1 H 7.294 . . 610 60 60 PHE HD2 H 7.294 . . 611 60 60 PHE HE1 H 7.155 . . 612 60 60 PHE HE2 H 7.152 . . 613 60 60 PHE HZ H 6.882 . . 614 60 60 PHE C C 174.401 . . 615 60 60 PHE CA C 56.867 . . 616 60 60 PHE CB C 39.954 . . 617 60 60 PHE CD1 C 130.460 . . 618 60 60 PHE CD2 C 130.460 . . 619 60 60 PHE CE1 C 131.343 . . 620 60 60 PHE CE2 C 131.328 . . 621 60 60 PHE CZ C 128.922 . . 622 60 60 PHE N N 119.241 . . 623 61 61 MET H H 8.128 . . 624 61 61 MET HA H 5.369 . . 625 61 61 MET HB2 H 2.199 . . 626 61 61 MET HB3 H 1.478 . . 627 61 61 MET HE H 2.117 . . 628 61 61 MET C C 175.163 . . 629 61 61 MET CA C 55.062 . . 630 61 61 MET CB C 35.010 . . 631 61 61 MET CE C 16.991 . . 632 61 61 MET N N 111.262 . . 633 62 62 CYS H H 8.501 . . 634 62 62 CYS HA H 4.941 . . 635 62 62 CYS HB2 H 3.008 . . 636 62 62 CYS HB3 H 2.554 . . 637 62 62 CYS C C 174.075 . . 638 62 62 CYS CA C 57.485 . . 639 62 62 CYS CB C 30.392 . . 640 62 62 CYS N N 114.848 . . 641 63 63 GLN H H 9.671 . . 642 63 63 GLN HA H 5.410 . . 643 63 63 GLN HB2 H 2.174 . . 644 63 63 GLN HB3 H 1.819 . . 645 63 63 GLN C C 175.024 . . 646 63 63 GLN CA C 54.691 . . 647 63 63 GLN CB C 30.529 . . 648 63 63 GLN N N 126.854 . . 649 64 64 GLY H H 7.401 . . 650 64 64 GLY HA2 H 4.768 . . 651 64 64 GLY HA3 H 2.643 . . 652 64 64 GLY C C 174.113 . . 653 64 64 GLY CA C 44.788 . . 654 64 64 GLY N N 110.745 . . 655 65 65 GLY H H 9.265 . . 656 65 65 GLY HA2 H 4.820 . . 657 65 65 GLY HA3 H 3.839 . . 658 65 65 GLY C C 176.175 . . 659 65 65 GLY CA C 46.659 . . 660 65 65 GLY N N 105.815 . . 661 66 66 ASP H H 9.950 . . 662 66 66 ASP HA H 4.337 . . 663 66 66 ASP HB2 H 2.980 . . 664 66 66 ASP HB3 H 2.974 . . 665 66 66 ASP C C 177.105 . . 666 66 66 ASP CA C 51.592 . . 667 66 66 ASP CB C 38.926 . . 668 66 66 ASP N N 123.911 . . 669 67 67 PHE H H 6.660 . . 670 67 67 PHE HA H 4.655 . . 671 67 67 PHE HB2 H 3.960 . . 672 67 67 PHE HB3 H 2.634 . . 673 67 67 PHE HD1 H 7.204 . . 674 67 67 PHE HD2 H 7.204 . . 675 67 67 PHE HE1 H 7.478 . . 676 67 67 PHE C C 175.240 . . 677 67 67 PHE CA C 55.683 . . 678 67 67 PHE CB C 39.480 . . 679 67 67 PHE CD1 C 132.479 . . 680 67 67 PHE CD2 C 132.479 . . 681 67 67 PHE N N 116.285 . . 682 68 68 THR H H 7.400 . . 683 68 68 THR HA H 4.692 . . 684 68 68 THR HB H 4.164 . . 685 68 68 THR HG2 H 0.737 . . 686 68 68 THR C C 176.514 . . 687 68 68 THR CA C 61.962 . . 688 68 68 THR CB C 68.922 . . 689 68 68 THR CG2 C 17.325 . . 690 68 68 THR N N 109.280 . . 691 69 69 ARG H H 8.719 . . 692 69 69 ARG HA H 4.421 . . 693 69 69 ARG HB2 H 1.660 . . 694 69 69 ARG HB3 H 1.660 . . 695 69 69 ARG HG2 H 1.501 . . 696 69 69 ARG HG3 H 1.425 . . 697 69 69 ARG HD2 H 3.109 . . 698 69 69 ARG HD3 H 3.005 . . 699 69 69 ARG CA C 55.265 . . 700 69 69 ARG CB C 31.727 . . 701 69 69 ARG CG C 26.755 . . 702 69 69 ARG CD C 43.142 . . 703 69 69 ARG N N 122.125 . . 704 70 70 HIS H H 6.865 . . 705 70 70 HIS HA H 4.451 . . 706 70 70 HIS HB2 H 3.281 . . 707 70 70 HIS HB3 H 3.269 . . 708 70 70 HIS C C 175.306 . . 709 70 70 HIS CA C 57.193 . . 710 70 70 HIS CB C 28.587 . . 711 70 70 HIS N N 111.574 . . 712 71 71 ASN H H 7.594 . . 713 71 71 ASN HA H 4.673 . . 714 71 71 ASN HB2 H 3.193 . . 715 71 71 ASN HB3 H 3.154 . . 716 71 71 ASN HD21 H 7.599 . . 717 71 71 ASN HD22 H 6.782 . . 718 71 71 ASN C C 176.752 . . 719 71 71 ASN CA C 52.366 . . 720 71 71 ASN CB C 39.036 . . 721 71 71 ASN N N 112.710 . . 722 71 71 ASN ND2 N 110.414 . . 723 72 72 GLY H H 9.642 . . 724 72 72 GLY HA2 H 4.446 . . 725 72 72 GLY HA3 H 3.193 . . 726 72 72 GLY C C 176.669 . . 727 72 72 GLY CA C 44.887 . . 728 72 72 GLY N N 110.452 . . 729 73 73 THR H H 7.967 . . 730 73 73 THR HA H 4.541 . . 731 73 73 THR HB H 4.302 . . 732 73 73 THR HG2 H 1.068 . . 733 73 73 THR C C 176.905 . . 734 73 73 THR CA C 62.235 . . 735 73 73 THR CB C 70.677 . . 736 73 73 THR CG2 C 21.158 . . 737 73 73 THR N N 112.024 . . 738 74 74 GLY H H 8.711 . . 739 74 74 GLY HA2 H 4.521 . . 740 74 74 GLY HA3 H 3.542 . . 741 74 74 GLY C C 176.149 . . 742 74 74 GLY CA C 45.126 . . 743 74 74 GLY N N 113.872 . . 744 75 75 GLY H H 8.117 . . 745 75 75 GLY HA2 H 4.617 . . 746 75 75 GLY HA3 H 2.627 . . 747 75 75 GLY C C 173.012 . . 748 75 75 GLY CA C 43.371 . . 749 75 75 GLY N N 109.032 . . 750 76 76 LYS H H 7.034 . . 751 76 76 LYS HA H 4.623 . . 752 76 76 LYS HB2 H 1.960 . . 753 76 76 LYS HB3 H 1.933 . . 754 76 76 LYS HD3 H 1.672 . . 755 76 76 LYS C C 173.512 . . 756 76 76 LYS CA C 55.975 . . 757 76 76 LYS CB C 34.648 . . 758 76 76 LYS CD C 29.668 . . 759 76 76 LYS N N 115.705 . . 760 77 77 SER H H 7.793 . . 761 77 77 SER HA H 5.240 . . 762 77 77 SER HB2 H 4.321 . . 763 77 77 SER HB3 H 4.298 . . 764 77 77 SER C C 176.746 . . 765 77 77 SER CA C 57.077 . . 766 77 77 SER CB C 69.863 . . 767 77 77 SER N N 114.354 . . 768 78 78 ILE H H 8.584 . . 769 78 78 ILE HA H 4.208 . . 770 78 78 ILE HB H 1.745 . . 771 78 78 ILE HG2 H 0.769 . . 772 78 78 ILE HD1 H 0.522 . . 773 78 78 ILE C C 176.973 . . 774 78 78 ILE CA C 63.675 . . 775 78 78 ILE CB C 37.434 . . 776 78 78 ILE CG2 C 17.765 . . 777 78 78 ILE CD1 C 14.245 . . 778 78 78 ILE N N 111.394 . . 779 79 79 TYR H H 8.058 . . 780 79 79 TYR HA H 4.718 . . 781 79 79 TYR HB2 H 3.485 . . 782 79 79 TYR HB3 H 2.375 . . 783 79 79 TYR HD1 H 6.427 . . 784 79 79 TYR HD2 H 6.427 . . 785 79 79 TYR HE1 H 6.117 . . 786 79 79 TYR HE2 H 6.117 . . 787 79 79 TYR C C 176.316 . . 788 79 79 TYR CA C 56.216 . . 789 79 79 TYR CB C 38.891 . . 790 79 79 TYR CD1 C 132.660 . . 791 79 79 TYR CD2 C 132.660 . . 792 79 79 TYR CE1 C 117.926 . . 793 79 79 TYR CE2 C 117.926 . . 794 79 79 TYR N N 120.757 . . 795 80 80 GLY H H 7.152 . . 796 80 80 GLY HA2 H 4.778 . . 797 80 80 GLY HA3 H 4.033 . . 798 80 80 GLY CA C 46.021 . . 799 80 80 GLY N N 106.521 . . 800 81 81 GLU H H 8.884 . . 801 81 81 GLU HA H 4.008 . . 802 81 81 GLU HB2 H 2.117 . . 803 81 81 GLU HB3 H 2.110 . . 804 81 81 GLU HG2 H 2.407 . . 805 81 81 GLU HG3 H 2.297 . . 806 81 81 GLU C C 176.729 . . 807 81 81 GLU CA C 60.602 . . 808 81 81 GLU CB C 29.927 . . 809 81 81 GLU CG C 36.608 . . 810 81 81 GLU N N 122.638 . . 811 82 82 LYS H H 7.845 . . 812 82 82 LYS HA H 5.577 . . 813 82 82 LYS HB2 H 1.611 . . 814 82 82 LYS HB3 H 1.711 . . 815 82 82 LYS HG2 H 1.295 . . 816 82 82 LYS HG3 H 1.289 . . 817 82 82 LYS HD2 H 1.601 . . 818 82 82 LYS HD3 H 1.596 . . 819 82 82 LYS HE2 H 2.962 . . 820 82 82 LYS HE3 H 2.962 . . 821 82 82 LYS C C 176.495 . . 822 82 82 LYS CA C 53.906 . . 823 82 82 LYS CB C 36.614 . . 824 82 82 LYS CG C 24.467 . . 825 82 82 LYS CD C 29.230 . . 826 82 82 LYS CE C 42.279 . . 827 82 82 LYS N N 112.369 . . 828 83 83 PHE H H 9.184 . . 829 83 83 PHE HA H 5.000 . . 830 83 83 PHE HB2 H 3.074 . . 831 83 83 PHE HB3 H 3.064 . . 832 83 83 PHE HD1 H 7.350 . . 833 83 83 PHE HD2 H 7.350 . . 834 83 83 PHE HE1 H 7.539 . . 835 83 83 PHE HE2 H 7.539 . . 836 83 83 PHE HZ H 7.400 . . 837 83 83 PHE C C 174.501 . . 838 83 83 PHE CA C 56.032 . . 839 83 83 PHE CB C 41.258 . . 840 83 83 PHE CD1 C 134.426 . . 841 83 83 PHE CD2 C 134.426 . . 842 83 83 PHE CE1 C 130.976 . . 843 83 83 PHE CE2 C 130.976 . . 844 83 83 PHE CZ C 128.586 . . 845 83 83 PHE N N 116.638 . . 846 84 84 GLU H H 9.294 . . 847 84 84 GLU HA H 3.862 . . 848 84 84 GLU HB2 H 2.142 . . 849 84 84 GLU HB3 H 2.032 . . 850 84 84 GLU HG2 H 2.322 . . 851 84 84 GLU HG3 H 2.095 . . 852 84 84 GLU C C 177.248 . . 853 84 84 GLU CA C 56.452 . . 854 84 84 GLU CB C 29.329 . . 855 84 84 GLU CG C 35.362 . . 856 84 84 GLU N N 119.642 . . 857 85 85 ASP H H 8.609 . . 858 85 85 ASP HA H 4.285 . . 859 85 85 ASP HB2 H 2.454 . . 860 85 85 ASP HB3 H 1.980 . . 861 85 85 ASP C C 177.100 . . 862 85 85 ASP CA C 54.486 . . 863 85 85 ASP CB C 40.954 . . 864 85 85 ASP N N 118.870 . . 865 86 86 GLU H H 9.474 . . 866 86 86 GLU HA H 3.851 . . 867 86 86 GLU HB2 H 2.145 . . 868 86 86 GLU HB3 H 1.860 . . 869 86 86 GLU HG2 H 2.572 . . 870 86 86 GLU HG3 H 2.450 . . 871 86 86 GLU C C 177.266 . . 872 86 86 GLU CA C 60.354 . . 873 86 86 GLU CB C 31.877 . . 874 86 86 GLU CG C 35.453 . . 875 86 86 GLU N N 131.636 . . 876 87 87 ASN H H 7.084 . . 877 87 87 ASN HA H 4.187 . . 878 87 87 ASN HB2 H 3.496 . . 879 87 87 ASN HB3 H 2.786 . . 880 87 87 ASN HD21 H 7.947 . . 881 87 87 ASN HD22 H 6.927 . . 882 87 87 ASN C C 171.751 . . 883 87 87 ASN CA C 52.828 . . 884 87 87 ASN CB C 39.490 . . 885 87 87 ASN N N 106.916 . . 886 87 87 ASN ND2 N 116.852 . . 887 88 88 PHE H H 8.356 . . 888 88 88 PHE HA H 5.964 . . 889 88 88 PHE HB2 H 3.569 . . 890 88 88 PHE HB3 H 2.602 . . 891 88 88 PHE HD1 H 7.281 . . 892 88 88 PHE HD2 H 7.281 . . 893 88 88 PHE HE1 H 6.885 . . 894 88 88 PHE HE2 H 6.884 . . 895 88 88 PHE HZ H 7.385 . . 896 88 88 PHE C C 178.688 . . 897 88 88 PHE CA C 55.847 . . 898 88 88 PHE CB C 38.876 . . 899 88 88 PHE CD1 C 132.112 . . 900 88 88 PHE CD2 C 132.112 . . 901 88 88 PHE CE1 C 130.696 . . 902 88 88 PHE CE2 C 130.718 . . 903 88 88 PHE CZ C 128.401 . . 904 88 88 PHE N N 113.116 . . 905 89 89 ILE H H 8.314 . . 906 89 89 ILE HA H 3.726 . . 907 89 89 ILE HB H 1.595 . . 908 89 89 ILE HG12 H 1.498 . . 909 89 89 ILE HG13 H 1.213 . . 910 89 89 ILE HG2 H 0.897 . . 911 89 89 ILE HD1 H 0.958 . . 912 89 89 ILE C C 178.596 . . 913 89 89 ILE CA C 64.996 . . 914 89 89 ILE CB C 39.000 . . 915 89 89 ILE CG1 C 29.468 . . 916 89 89 ILE CG2 C 17.048 . . 917 89 89 ILE CD1 C 13.709 . . 918 89 89 ILE N N 119.794 . . 919 90 90 LEU H H 7.777 . . 920 90 90 LEU HA H 4.516 . . 921 90 90 LEU HB2 H 1.832 . . 922 90 90 LEU HB3 H 1.416 . . 923 90 90 LEU HG H 0.801 . . 924 90 90 LEU HD1 H 0.800 . . 925 90 90 LEU HD2 H 0.695 . . 926 90 90 LEU C C 177.345 . . 927 90 90 LEU CA C 54.196 . . 928 90 90 LEU CB C 42.100 . . 929 90 90 LEU CG C 27.113 . . 930 90 90 LEU CD1 C 26.775 . . 931 90 90 LEU CD2 C 22.687 . . 932 90 90 LEU N N 117.361 . . 933 91 91 LYS H H 8.086 . . 934 91 91 LYS HA H 4.635 . . 935 91 91 LYS HB2 H 2.310 . . 936 91 91 LYS HB3 H 1.596 . . 937 91 91 LYS HE2 H 3.056 . . 938 91 91 LYS HE3 H 3.056 . . 939 91 91 LYS C C 177.296 . . 940 91 91 LYS CA C 54.689 . . 941 91 91 LYS CB C 34.841 . . 942 91 91 LYS CE C 42.523 . . 943 91 91 LYS N N 119.096 . . 944 92 92 HIS H H 10.736 . . 945 92 92 HIS HA H 4.408 . . 946 92 92 HIS HB2 H 3.214 . . 947 92 92 HIS HB3 H 2.939 . . 948 92 92 HIS HD1 H 12.237 . . 949 92 92 HIS HD2 H 8.089 . . 950 92 92 HIS C C 178.794 . . 951 92 92 HIS CA C 56.886 . . 952 92 92 HIS CB C 26.041 . . 953 92 92 HIS CD2 C 140.220 . . 954 92 92 HIS N N 122.578 . . 955 92 92 HIS ND1 N 169.230 . . 956 93 93 THR H H 7.315 . . 957 93 93 THR HA H 4.056 . . 958 93 93 THR HB H 4.532 . . 959 93 93 THR HG2 H 1.264 . . 960 93 93 THR C C 176.456 . . 961 93 93 THR CA C 63.324 . . 962 93 93 THR CB C 69.416 . . 963 93 93 THR CG2 C 22.789 . . 964 93 93 THR N N 110.479 . . 965 94 94 GLY H H 7.530 . . 966 94 94 GLY C C 178.117 . . 967 94 94 GLY N N 107.272 . . 968 95 95 PRO HA H 3.856 . . 969 95 95 PRO HB2 H 2.051 . . 970 95 95 PRO HB3 H 1.883 . . 971 95 95 PRO HG2 H 2.189 . . 972 95 95 PRO HG3 H 2.189 . . 973 95 95 PRO HD2 H 3.665 . . 974 95 95 PRO HD3 H 3.450 . . 975 95 95 PRO CA C 62.687 . . 976 95 95 PRO CB C 32.137 . . 977 95 95 PRO CG C 27.606 . . 978 95 95 PRO CD C 49.796 . . 979 96 96 GLY H H 9.305 . . 980 96 96 GLY HA2 H 4.625 . . 981 96 96 GLY HA3 H 3.384 . . 982 96 96 GLY C C 174.025 . . 983 96 96 GLY CA C 45.068 . . 984 96 96 GLY N N 110.210 . . 985 97 97 ILE H H 6.826 . . 986 97 97 ILE HA H 4.173 . . 987 97 97 ILE HB H 2.278 . . 988 97 97 ILE HG12 H 1.824 . . 989 97 97 ILE HG13 H 1.717 . . 990 97 97 ILE HG2 H 1.028 . . 991 97 97 ILE HD1 H 1.016 . . 992 97 97 ILE C C 174.196 . . 993 97 97 ILE CA C 59.398 . . 994 97 97 ILE CB C 37.922 . . 995 97 97 ILE CG1 C 28.971 . . 996 97 97 ILE CG2 C 20.264 . . 997 97 97 ILE CD1 C 9.154 . . 998 97 97 ILE N N 121.517 . . 999 98 98 LEU H H 7.907 . . 1000 98 98 LEU HA H 5.010 . . 1001 98 98 LEU HB2 H 0.226 . . 1002 98 98 LEU HB3 H 0.150 . . 1003 98 98 LEU HG H 0.399 . . 1004 98 98 LEU HD1 H -0.103 . . 1005 98 98 LEU HD2 H -0.599 . . 1006 98 98 LEU C C 175.316 . . 1007 98 98 LEU CA C 53.350 . . 1008 98 98 LEU CB C 43.813 . . 1009 98 98 LEU CG C 26.515 . . 1010 98 98 LEU CD1 C 24.147 . . 1011 98 98 LEU CD2 C 25.381 . . 1012 98 98 LEU N N 128.948 . . 1013 99 99 SER H H 8.307 . . 1014 99 99 SER HA H 5.346 . . 1015 99 99 SER HB2 H 3.201 . . 1016 99 99 SER HB3 H 2.790 . . 1017 99 99 SER C C 175.732 . . 1018 99 99 SER CA C 55.011 . . 1019 99 99 SER CB C 65.370 . . 1020 99 99 SER N N 118.834 . . 1021 100 100 MET H H 8.563 . . 1022 100 100 MET HA H 5.338 . . 1023 100 100 MET HG2 H 2.815 . . 1024 100 100 MET HE H 2.136 . . 1025 100 100 MET C C 178.920 . . 1026 100 100 MET CA C 53.853 . . 1027 100 100 MET CG C 32.899 . . 1028 100 100 MET CE C 16.333 . . 1029 100 100 MET N N 123.079 . . 1030 101 101 ALA H H 8.114 . . 1031 101 101 ALA HA H 4.362 . . 1032 101 101 ALA HB H 1.197 . . 1033 101 101 ALA C C 176.471 . . 1034 101 101 ALA CA C 51.743 . . 1035 101 101 ALA CB C 19.619 . . 1036 101 101 ALA N N 126.225 . . 1037 102 102 ASN H H 8.062 . . 1038 102 102 ASN HA H 4.647 . . 1039 102 102 ASN HB2 H 3.299 . . 1040 102 102 ASN HB3 H 2.934 . . 1041 102 102 ASN HD21 H 7.989 . . 1042 102 102 ASN HD22 H 6.226 . . 1043 102 102 ASN C C 174.740 . . 1044 102 102 ASN CA C 54.102 . . 1045 102 102 ASN CB C 40.597 . . 1046 102 102 ASN N N 113.398 . . 1047 102 102 ASN ND2 N 119.930 . . 1048 103 103 ALA H H 8.822 . . 1049 103 103 ALA HA H 4.868 . . 1050 103 103 ALA HB H 1.347 . . 1051 103 103 ALA C C 177.823 . . 1052 103 103 ALA CA C 50.380 . . 1053 103 103 ALA CB C 19.295 . . 1054 103 103 ALA N N 123.487 . . 1055 104 104 GLY H H 8.181 . . 1056 104 104 GLY HA2 H 4.652 . . 1057 104 104 GLY HA3 H 3.773 . . 1058 104 104 GLY CA C 43.559 . . 1059 104 104 GLY N N 109.271 . . 1060 105 105 PRO HA H 4.385 . . 1061 105 105 PRO HB2 H 2.373 . . 1062 105 105 PRO HB3 H 1.875 . . 1063 105 105 PRO HG2 H 2.187 . . 1064 105 105 PRO HG3 H 2.028 . . 1065 105 105 PRO HD2 H 3.662 . . 1066 105 105 PRO HD3 H 3.574 . . 1067 105 105 PRO C C 177.209 . . 1068 105 105 PRO CA C 63.976 . . 1069 105 105 PRO CB C 32.136 . . 1070 105 105 PRO CG C 27.632 . . 1071 105 105 PRO CD C 49.330 . . 1072 106 106 ASN H H 8.912 . . 1073 106 106 ASN HA H 4.052 . . 1074 106 106 ASN HB2 H 3.129 . . 1075 106 106 ASN HB3 H 2.726 . . 1076 106 106 ASN HD21 H 7.752 . . 1077 106 106 ASN HD22 H 7.122 . . 1078 106 106 ASN C C 175.857 . . 1079 106 106 ASN CA C 54.279 . . 1080 106 106 ASN CB C 37.248 . . 1081 106 106 ASN N N 119.146 . . 1082 106 106 ASN ND2 N 116.219 . . 1083 107 107 THR H H 10.191 . . 1084 107 107 THR HA H 4.493 . . 1085 107 107 THR HB H 4.445 . . 1086 107 107 THR HG2 H 0.942 . . 1087 107 107 THR C C 174.713 . . 1088 107 107 THR CA C 60.294 . . 1089 107 107 THR CB C 69.030 . . 1090 107 107 THR CG2 C 21.364 . . 1091 107 107 THR N N 110.101 . . 1092 108 108 ASN H H 7.410 . . 1093 108 108 ASN HA H 4.210 . . 1094 108 108 ASN HB2 H 2.685 . . 1095 108 108 ASN HB3 H 2.685 . . 1096 108 108 ASN C C 175.078 . . 1097 108 108 ASN CA C 55.287 . . 1098 108 108 ASN CB C 39.036 . . 1099 108 108 ASN N N 120.592 . . 1100 109 109 GLY H H 9.192 . . 1101 109 109 GLY HA2 H 4.654 . . 1102 109 109 GLY HA3 H 3.687 . . 1103 109 109 GLY C C 172.087 . . 1104 109 109 GLY CA C 45.940 . . 1105 109 109 GLY N N 110.835 . . 1106 110 110 SER H H 8.793 . . 1107 110 110 SER HA H 4.751 . . 1108 110 110 SER HB2 H 4.656 . . 1109 110 110 SER HB3 H 4.431 . . 1110 110 110 SER C C 177.075 . . 1111 110 110 SER CA C 57.526 . . 1112 110 110 SER CB C 66.180 . . 1113 110 110 SER N N 117.149 . . 1114 111 111 GLN H H 8.438 . . 1115 111 111 GLN HA H 4.225 . . 1116 111 111 GLN HB2 H 2.147 . . 1117 111 111 GLN HB3 H 1.993 . . 1118 111 111 GLN HG3 H 2.244 . . 1119 111 111 GLN HE21 H 7.352 . . 1120 111 111 GLN HE22 H 6.234 . . 1121 111 111 GLN C C 179.174 . . 1122 111 111 GLN CA C 58.144 . . 1123 111 111 GLN CB C 31.558 . . 1124 111 111 GLN CG C 36.737 . . 1125 111 111 GLN N N 124.594 . . 1126 111 111 GLN NE2 N 111.007 . . 1127 112 112 PHE H H 8.120 . . 1128 112 112 PHE HA H 5.806 . . 1129 112 112 PHE HB2 H 3.307 . . 1130 112 112 PHE HB3 H 3.290 . . 1131 112 112 PHE HD1 H 6.903 . . 1132 112 112 PHE HD2 H 6.901 . . 1133 112 112 PHE C C 172.840 . . 1134 112 112 PHE CA C 55.584 . . 1135 112 112 PHE CB C 43.323 . . 1136 112 112 PHE CD1 C 131.320 . . 1137 112 112 PHE CD2 C 131.320 . . 1138 112 112 PHE N N 118.008 . . 1139 113 113 PHE H H 9.832 . . 1140 113 113 PHE HA H 5.739 . . 1141 113 113 PHE HB2 H 2.955 . . 1142 113 113 PHE HB3 H 2.893 . . 1143 113 113 PHE HD1 H 6.829 . . 1144 113 113 PHE HD2 H 6.827 . . 1145 113 113 PHE HE1 H 6.783 . . 1146 113 113 PHE HE2 H 6.783 . . 1147 113 113 PHE HZ H 7.158 . . 1148 113 113 PHE C C 175.349 . . 1149 113 113 PHE CA C 54.684 . . 1150 113 113 PHE CB C 42.825 . . 1151 113 113 PHE CD1 C 131.897 . . 1152 113 113 PHE CD2 C 131.903 . . 1153 113 113 PHE CE1 C 130.632 . . 1154 113 113 PHE CE2 C 130.632 . . 1155 113 113 PHE CZ C 129.407 . . 1156 113 113 PHE N N 116.406 . . 1157 114 114 ILE H H 9.156 . . 1158 114 114 ILE HA H 4.842 . . 1159 114 114 ILE HB H 1.847 . . 1160 114 114 ILE HG12 H 2.149 . . 1161 114 114 ILE HG13 H 1.127 . . 1162 114 114 ILE HG2 H 0.892 . . 1163 114 114 ILE HD1 H 1.262 . . 1164 114 114 ILE C C 178.414 . . 1165 114 114 ILE CA C 60.265 . . 1166 114 114 ILE CB C 40.466 . . 1167 114 114 ILE CG1 C 27.265 . . 1168 114 114 ILE CG2 C 17.860 . . 1169 114 114 ILE CD1 C 15.093 . . 1170 114 114 ILE N N 118.683 . . 1171 115 115 CYS H H 9.616 . . 1172 115 115 CYS HA H 4.808 . . 1173 115 115 CYS HB2 H 3.547 . . 1174 115 115 CYS HB3 H 3.153 . . 1175 115 115 CYS C C 177.658 . . 1176 115 115 CYS CA C 60.803 . . 1177 115 115 CYS CB C 28.723 . . 1178 115 115 CYS N N 125.524 . . 1179 116 116 THR H H 8.990 . . 1180 116 116 THR HA H 4.380 . . 1181 116 116 THR HB H 4.487 . . 1182 116 116 THR HG2 H 0.879 . . 1183 116 116 THR C C 178.496 . . 1184 116 116 THR CA C 60.844 . . 1185 116 116 THR CB C 66.730 . . 1186 116 116 THR CG2 C 23.450 . . 1187 116 116 THR N N 115.801 . . 1188 117 117 ALA H H 7.641 . . 1189 117 117 ALA HA H 4.420 . . 1190 117 117 ALA HB H 1.474 . . 1191 117 117 ALA C C 176.114 . . 1192 117 117 ALA CA C 50.668 . . 1193 117 117 ALA CB C 22.795 . . 1194 117 117 ALA N N 122.356 . . 1195 118 118 LYS H H 8.693 . . 1196 118 118 LYS HA H 3.840 . . 1197 118 118 LYS HB2 H 2.028 . . 1198 118 118 LYS HB3 H 1.694 . . 1199 118 118 LYS HG3 H 1.569 . . 1200 118 118 LYS HD3 H 1.816 . . 1201 118 118 LYS HE2 H 3.107 . . 1202 118 118 LYS HE3 H 3.107 . . 1203 118 118 LYS C C 177.211 . . 1204 118 118 LYS CA C 57.913 . . 1205 118 118 LYS CB C 32.708 . . 1206 118 118 LYS CG C 25.002 . . 1207 118 118 LYS CD C 29.752 . . 1208 118 118 LYS CE C 41.978 . . 1209 118 118 LYS N N 119.855 . . 1210 119 119 THR H H 7.373 . . 1211 119 119 THR HA H 3.730 . . 1212 119 119 THR HB H 2.869 . . 1213 119 119 THR HG2 H 1.030 . . 1214 119 119 THR C C 177.928 . . 1215 119 119 THR CA C 57.301 . . 1216 119 119 THR CB C 68.717 . . 1217 119 119 THR CG2 C 19.848 . . 1218 119 119 THR N N 119.004 . . 1219 120 120 GLU H H 9.139 . . 1220 120 120 GLU HA H 4.162 . . 1221 120 120 GLU HB2 H 2.246 . . 1222 120 120 GLU HB3 H 2.159 . . 1223 120 120 GLU HG2 H 2.557 . . 1224 120 120 GLU HG3 H 2.469 . . 1225 120 120 GLU C C 178.190 . . 1226 120 120 GLU CA C 59.334 . . 1227 120 120 GLU CB C 29.322 . . 1228 120 120 GLU CG C 35.523 . . 1229 120 120 GLU N N 124.713 . . 1230 121 121 TRP H H 7.297 . . 1231 121 121 TRP HA H 4.716 . . 1232 121 121 TRP HB2 H 3.457 . . 1233 121 121 TRP HB3 H 3.388 . . 1234 121 121 TRP HD1 H 7.057 . . 1235 121 121 TRP HE1 H 9.765 . . 1236 121 121 TRP HE3 H 7.699 . . 1237 121 121 TRP HZ2 H 6.668 . . 1238 121 121 TRP HZ3 H 7.357 . . 1239 121 121 TRP HH2 H 7.146 . . 1240 121 121 TRP C C 177.244 . . 1241 121 121 TRP CA C 59.748 . . 1242 121 121 TRP CB C 26.947 . . 1243 121 121 TRP CD1 C 128.129 . . 1244 121 121 TRP CE3 C 119.249 . . 1245 121 121 TRP CZ2 C 115.170 . . 1246 121 121 TRP CZ3 C 123.817 . . 1247 121 121 TRP CH2 C 125.329 . . 1248 121 121 TRP N N 117.782 . . 1249 121 121 TRP NE1 N 130.044 . . 1250 122 122 LEU H H 7.037 . . 1251 122 122 LEU HA H 4.315 . . 1252 122 122 LEU HB2 H 1.207 . . 1253 122 122 LEU HB3 H 0.192 . . 1254 122 122 LEU HD1 H 0.755 . . 1255 122 122 LEU HD2 H 0.437 . . 1256 122 122 LEU C C 173.304 . . 1257 122 122 LEU CA C 54.543 . . 1258 122 122 LEU CB C 39.075 . . 1259 122 122 LEU CD1 C 21.851 . . 1260 122 122 LEU CD2 C 25.500 . . 1261 122 122 LEU N N 119.806 . . 1262 123 123 ASP H H 7.643 . . 1263 123 123 ASP HA H 5.222 . . 1264 123 123 ASP HB2 H 2.996 . . 1265 123 123 ASP HB3 H 2.722 . . 1266 123 123 ASP C C 179.276 . . 1267 123 123 ASP CA C 55.889 . . 1268 123 123 ASP CB C 39.517 . . 1269 123 123 ASP N N 122.205 . . 1270 124 124 GLY H H 9.550 . . 1271 124 124 GLY HA2 H 3.959 . . 1272 124 124 GLY HA3 H 2.927 . . 1273 124 124 GLY C C 173.148 . . 1274 124 124 GLY CA C 45.114 . . 1275 124 124 GLY N N 111.205 . . 1276 125 125 LYS H H 7.765 . . 1277 125 125 LYS HA H 4.173 . . 1278 125 125 LYS HB2 H 1.874 . . 1279 125 125 LYS HB3 H 1.723 . . 1280 125 125 LYS HG2 H 1.301 . . 1281 125 125 LYS HG3 H 1.301 . . 1282 125 125 LYS HE2 H 3.052 . . 1283 125 125 LYS HE3 H 3.052 . . 1284 125 125 LYS C C 176.351 . . 1285 125 125 LYS CA C 56.341 . . 1286 125 125 LYS CB C 35.504 . . 1287 125 125 LYS CG C 25.096 . . 1288 125 125 LYS CE C 42.323 . . 1289 125 125 LYS N N 115.408 . . 1290 126 126 HIS H H 7.600 . . 1291 126 126 HIS HA H 4.863 . . 1292 126 126 HIS HB2 H 4.065 . . 1293 126 126 HIS HB3 H 3.247 . . 1294 126 126 HIS HD2 H 6.894 . . 1295 126 126 HIS HE1 H 7.736 . . 1296 126 126 HIS C C 174.784 . . 1297 126 126 HIS CA C 54.923 . . 1298 126 126 HIS CB C 31.675 . . 1299 126 126 HIS CD2 C 120.066 . . 1300 126 126 HIS CE1 C 138.506 . . 1301 126 126 HIS N N 119.526 . . 1302 127 127 VAL H H 8.523 . . 1303 127 127 VAL HA H 4.307 . . 1304 127 127 VAL HB H 2.060 . . 1305 127 127 VAL HG1 H 1.185 . . 1306 127 127 VAL HG2 H 1.097 . . 1307 127 127 VAL C C 176.442 . . 1308 127 127 VAL CA C 63.893 . . 1309 127 127 VAL CB C 33.553 . . 1310 127 127 VAL CG1 C 21.052 . . 1311 127 127 VAL CG2 C 20.969 . . 1312 127 127 VAL N N 125.009 . . 1313 128 128 VAL H H 9.474 . . 1314 128 128 VAL HA H 4.176 . . 1315 128 128 VAL HB H 1.749 . . 1316 128 128 VAL HG1 H 0.969 . . 1317 128 128 VAL HG2 H 0.126 . . 1318 128 128 VAL C C 176.113 . . 1319 128 128 VAL CA C 63.172 . . 1320 128 128 VAL CB C 31.612 . . 1321 128 128 VAL CG1 C 21.915 . . 1322 128 128 VAL CG2 C 19.980 . . 1323 128 128 VAL N N 133.065 . . 1324 129 129 PHE H H 8.138 . . 1325 129 129 PHE HA H 5.308 . . 1326 129 129 PHE HB2 H 3.184 . . 1327 129 129 PHE HB3 H 2.555 . . 1328 129 129 PHE HD1 H 6.576 . . 1329 129 129 PHE HD2 H 6.574 . . 1330 129 129 PHE C C 173.725 . . 1331 129 129 PHE CA C 55.969 . . 1332 129 129 PHE CB C 42.581 . . 1333 129 129 PHE CD1 C 132.039 . . 1334 129 129 PHE CD2 C 132.047 . . 1335 129 129 PHE N N 117.892 . . 1336 130 130 GLY H H 7.356 . . 1337 130 130 GLY HA2 H 3.217 . . 1338 130 130 GLY HA3 H 3.082 . . 1339 130 130 GLY C C 171.591 . . 1340 130 130 GLY CA C 46.505 . . 1341 130 130 GLY N N 110.747 . . 1342 131 131 LYS H H 8.390 . . 1343 131 131 LYS HA H 5.246 . . 1344 131 131 LYS HB2 H 1.858 . . 1345 131 131 LYS HB3 H 1.858 . . 1346 131 131 LYS HG2 H 1.554 . . 1347 131 131 LYS HG3 H 1.108 . . 1348 131 131 LYS HE2 H 3.014 . . 1349 131 131 LYS HE3 H 3.014 . . 1350 131 131 LYS C C 176.109 . . 1351 131 131 LYS CA C 54.887 . . 1352 131 131 LYS CB C 36.077 . . 1353 131 131 LYS CG C 24.244 . . 1354 131 131 LYS CE C 42.426 . . 1355 131 131 LYS N N 115.453 . . 1356 132 132 VAL H H 9.071 . . 1357 132 132 VAL HA H 3.955 . . 1358 132 132 VAL HB H 1.964 . . 1359 132 132 VAL HG1 H 1.092 . . 1360 132 132 VAL HG2 H 0.638 . . 1361 132 132 VAL C C 176.489 . . 1362 132 132 VAL CA C 64.284 . . 1363 132 132 VAL CB C 32.709 . . 1364 132 132 VAL CG1 C 23.050 . . 1365 132 132 VAL CG2 C 21.440 . . 1366 132 132 VAL N N 124.311 . . 1367 133 133 LYS H H 9.494 . . 1368 133 133 LYS HA H 4.483 . . 1369 133 133 LYS HB2 H 1.764 . . 1370 133 133 LYS HB3 H 1.681 . . 1371 133 133 LYS HG2 H 1.450 . . 1372 133 133 LYS HG3 H 1.365 . . 1373 133 133 LYS HE2 H 2.996 . . 1374 133 133 LYS HE3 H 2.996 . . 1375 133 133 LYS C C 176.283 . . 1376 133 133 LYS CA C 56.978 . . 1377 133 133 LYS CB C 34.028 . . 1378 133 133 LYS CG C 24.958 . . 1379 133 133 LYS CE C 41.613 . . 1380 133 133 LYS N N 131.670 . . 1381 134 134 GLU H H 7.571 . . 1382 134 134 GLU HA H 4.639 . . 1383 134 134 GLU HB2 H 2.002 . . 1384 134 134 GLU HB3 H 1.917 . . 1385 134 134 GLU HG2 H 2.215 . . 1386 134 134 GLU HG3 H 2.215 . . 1387 134 134 GLU C C 175.925 . . 1388 134 134 GLU CA C 55.235 . . 1389 134 134 GLU CB C 32.909 . . 1390 134 134 GLU CG C 36.776 . . 1391 134 134 GLU N N 118.417 . . 1392 135 135 GLY H H 8.695 . . 1393 135 135 GLY HA2 H 4.798 . . 1394 135 135 GLY HA3 H 4.030 . . 1395 135 135 GLY C C 178.060 . . 1396 135 135 GLY CA C 46.195 . . 1397 135 135 GLY N N 108.109 . . 1398 136 136 MET H H 8.854 . . 1399 136 136 MET HA H 4.496 . . 1400 136 136 MET HB2 H 2.069 . . 1401 136 136 MET HB3 H 2.069 . . 1402 136 136 MET HG2 H 2.803 . . 1403 136 136 MET HG3 H 2.663 . . 1404 136 136 MET HE H 2.038 . . 1405 136 136 MET C C 178.649 . . 1406 136 136 MET CA C 56.829 . . 1407 136 136 MET CB C 30.215 . . 1408 136 136 MET CG C 32.860 . . 1409 136 136 MET CE C 17.310 . . 1410 136 136 MET N N 122.582 . . 1411 137 137 ASN H H 8.932 . . 1412 137 137 ASN HA H 4.504 . . 1413 137 137 ASN HB2 H 2.866 . . 1414 137 137 ASN HB3 H 2.831 . . 1415 137 137 ASN C C 178.441 . . 1416 137 137 ASN CA C 55.819 . . 1417 137 137 ASN CB C 36.016 . . 1418 137 137 ASN N N 114.457 . . 1419 138 138 ILE H H 7.686 . . 1420 138 138 ILE HA H 3.800 . . 1421 138 138 ILE HB H 2.480 . . 1422 138 138 ILE HG13 H 1.315 . . 1423 138 138 ILE HG2 H 0.679 . . 1424 138 138 ILE HD1 H 0.705 . . 1425 138 138 ILE C C 178.595 . . 1426 138 138 ILE CA C 61.581 . . 1427 138 138 ILE CB C 34.468 . . 1428 138 138 ILE CG1 C 27.143 . . 1429 138 138 ILE CG2 C 17.400 . . 1430 138 138 ILE CD1 C 9.333 . . 1431 138 138 ILE N N 124.190 . . 1432 139 139 VAL H H 7.286 . . 1433 139 139 VAL HA H 3.879 . . 1434 139 139 VAL HB H 2.500 . . 1435 139 139 VAL HG1 H 1.075 . . 1436 139 139 VAL HG2 H 0.854 . . 1437 139 139 VAL C C 179.051 . . 1438 139 139 VAL CA C 66.206 . . 1439 139 139 VAL CB C 31.195 . . 1440 139 139 VAL CG1 C 23.112 . . 1441 139 139 VAL CG2 C 22.261 . . 1442 139 139 VAL N N 121.912 . . 1443 140 140 GLU H H 8.309 . . 1444 140 140 GLU HA H 4.095 . . 1445 140 140 GLU HB2 H 2.138 . . 1446 140 140 GLU HB3 H 2.138 . . 1447 140 140 GLU HG2 H 2.458 . . 1448 140 140 GLU HG3 H 2.244 . . 1449 140 140 GLU C C 180.486 . . 1450 140 140 GLU CA C 59.336 . . 1451 140 140 GLU CB C 30.199 . . 1452 140 140 GLU CG C 36.974 . . 1453 140 140 GLU N N 117.357 . . 1454 141 141 ALA H H 7.539 . . 1455 141 141 ALA HA H 4.118 . . 1456 141 141 ALA HB H 1.636 . . 1457 141 141 ALA C C 181.524 . . 1458 141 141 ALA CA C 54.771 . . 1459 141 141 ALA CB C 18.207 . . 1460 141 141 ALA N N 121.133 . . 1461 142 142 MET H H 8.284 . . 1462 142 142 MET HA H 3.993 . . 1463 142 142 MET HB2 H 2.583 . . 1464 142 142 MET HB3 H 1.997 . . 1465 142 142 MET HG2 H 2.666 . . 1466 142 142 MET HE H 1.210 . . 1467 142 142 MET C C 178.862 . . 1468 142 142 MET CA C 59.678 . . 1469 142 142 MET CB C 33.723 . . 1470 142 142 MET CG C 31.243 . . 1471 142 142 MET CE C 14.561 . . 1472 142 142 MET N N 117.513 . . 1473 143 143 GLU H H 7.853 . . 1474 143 143 GLU HA H 3.772 . . 1475 143 143 GLU HB2 H 2.222 . . 1476 143 143 GLU HB3 H 2.008 . . 1477 143 143 GLU HG2 H 2.414 . . 1478 143 143 GLU HG3 H 2.095 . . 1479 143 143 GLU C C 179.051 . . 1480 143 143 GLU CA C 59.345 . . 1481 143 143 GLU CB C 30.470 . . 1482 143 143 GLU CG C 37.930 . . 1483 143 143 GLU N N 116.365 . . 1484 144 144 ARG H H 7.082 . . 1485 144 144 ARG HA H 3.978 . . 1486 144 144 ARG HB2 H 1.530 . . 1487 144 144 ARG HB3 H 1.411 . . 1488 144 144 ARG HG3 H 1.497 . . 1489 144 144 ARG C C 178.222 . . 1490 144 144 ARG CA C 57.669 . . 1491 144 144 ARG CB C 29.523 . . 1492 144 144 ARG CG C 27.450 . . 1493 144 144 ARG N N 114.753 . . 1494 145 145 PHE H H 7.651 . . 1495 145 145 PHE HA H 4.851 . . 1496 145 145 PHE HB2 H 3.587 . . 1497 145 145 PHE HB3 H 2.958 . . 1498 145 145 PHE HD1 H 7.331 . . 1499 145 145 PHE HD2 H 7.331 . . 1500 145 145 PHE HE1 H 7.201 . . 1501 145 145 PHE HE2 H 7.200 . . 1502 145 145 PHE HZ H 6.857 . . 1503 145 145 PHE C C 176.868 . . 1504 145 145 PHE CA C 57.717 . . 1505 145 145 PHE CB C 38.998 . . 1506 145 145 PHE CD1 C 131.903 . . 1507 145 145 PHE CD2 C 131.903 . . 1508 145 145 PHE CE1 C 131.388 . . 1509 145 145 PHE CE2 C 131.381 . . 1510 145 145 PHE CZ C 130.721 . . 1511 145 145 PHE N N 115.388 . . 1512 146 146 GLY H H 7.551 . . 1513 146 146 GLY HA2 H 4.689 . . 1514 146 146 GLY HA3 H 3.679 . . 1515 146 146 GLY C C 172.946 . . 1516 146 146 GLY CA C 44.065 . . 1517 146 146 GLY N N 104.842 . . 1518 147 147 SER H H 8.229 . . 1519 147 147 SER HA H 4.813 . . 1520 147 147 SER HB2 H 4.216 . . 1521 147 147 SER HB3 H 4.120 . . 1522 147 147 SER C C 176.384 . . 1523 147 147 SER CA C 58.165 . . 1524 147 147 SER CB C 65.804 . . 1525 147 147 SER N N 110.079 . . 1526 148 148 ARG H H 8.850 . . 1527 148 148 ARG HA H 4.221 . . 1528 148 148 ARG HB2 H 2.001 . . 1529 148 148 ARG HB3 H 1.933 . . 1530 148 148 ARG HG2 H 1.809 . . 1531 148 148 ARG HG3 H 1.759 . . 1532 148 148 ARG C C 177.709 . . 1533 148 148 ARG CA C 59.810 . . 1534 148 148 ARG CB C 29.896 . . 1535 148 148 ARG CG C 27.121 . . 1536 148 148 ARG N N 120.299 . . 1537 149 149 ASN H H 7.891 . . 1538 149 149 ASN HA H 4.901 . . 1539 149 149 ASN HB2 H 3.227 . . 1540 149 149 ASN HB3 H 2.875 . . 1541 149 149 ASN C C 177.708 . . 1542 149 149 ASN CA C 52.305 . . 1543 149 149 ASN CB C 38.477 . . 1544 149 149 ASN N N 111.689 . . 1545 150 150 GLY H H 8.087 . . 1546 150 150 GLY HA3 H 3.749 . . 1547 150 150 GLY C C 174.368 . . 1548 150 150 GLY CA C 45.257 . . 1549 150 150 GLY N N 110.138 . . 1550 151 151 LYS H H 7.534 . . 1551 151 151 LYS HA H 4.466 . . 1552 151 151 LYS HB2 H 1.894 . . 1553 151 151 LYS HB3 H 1.894 . . 1554 151 151 LYS HG3 H 1.528 . . 1555 151 151 LYS HD3 H 1.825 . . 1556 151 151 LYS HE2 H 3.109 . . 1557 151 151 LYS HE3 H 3.109 . . 1558 151 151 LYS C C 179.533 . . 1559 151 151 LYS CA C 57.088 . . 1560 151 151 LYS CB C 32.435 . . 1561 151 151 LYS CG C 24.979 . . 1562 151 151 LYS CD C 29.069 . . 1563 151 151 LYS CE C 42.283 . . 1564 151 151 LYS N N 119.859 . . 1565 152 152 THR H H 8.837 . . 1566 152 152 THR HA H 5.579 . . 1567 152 152 THR HB H 4.688 . . 1568 152 152 THR HG2 H 1.384 . . 1569 152 152 THR C C 176.969 . . 1570 152 152 THR CA C 60.097 . . 1571 152 152 THR CB C 71.324 . . 1572 152 152 THR CG2 C 22.239 . . 1573 152 152 THR N N 116.442 . . 1574 153 153 SER H H 9.424 . . 1575 153 153 SER HA H 4.574 . . 1576 153 153 SER HB3 H 3.912 . . 1577 153 153 SER C C 175.737 . . 1578 153 153 SER CA C 58.222 . . 1579 153 153 SER CB C 63.922 . . 1580 153 153 SER N N 117.113 . . 1581 154 154 LYS H H 7.566 . . 1582 154 154 LYS HA H 4.594 . . 1583 154 154 LYS HB2 H 1.457 . . 1584 154 154 LYS HB3 H 0.908 . . 1585 154 154 LYS HG2 H 1.490 . . 1586 154 154 LYS HG3 H 1.223 . . 1587 154 154 LYS HD2 H 1.464 . . 1588 154 154 LYS HE3 H 2.942 . . 1589 154 154 LYS C C 175.436 . . 1590 154 154 LYS CA C 54.578 . . 1591 154 154 LYS CB C 38.443 . . 1592 154 154 LYS CG C 26.272 . . 1593 154 154 LYS CD C 29.600 . . 1594 154 154 LYS CE C 42.574 . . 1595 154 154 LYS N N 119.347 . . 1596 155 155 LYS H H 8.820 . . 1597 155 155 LYS HA H 4.348 . . 1598 155 155 LYS HB2 H 1.875 . . 1599 155 155 LYS HB3 H 1.875 . . 1600 155 155 LYS HD3 H 1.715 . . 1601 155 155 LYS HE2 H 3.181 . . 1602 155 155 LYS HE3 H 3.181 . . 1603 155 155 LYS C C 176.946 . . 1604 155 155 LYS CA C 56.325 . . 1605 155 155 LYS CB C 32.136 . . 1606 155 155 LYS CD C 29.239 . . 1607 155 155 LYS CE C 42.385 . . 1608 155 155 LYS N N 121.869 . . 1609 156 156 ILE H H 9.609 . . 1610 156 156 ILE HA H 5.134 . . 1611 156 156 ILE HB H 2.374 . . 1612 156 156 ILE HG12 H 1.507 . . 1613 156 156 ILE HG13 H 1.507 . . 1614 156 156 ILE HG2 H 0.966 . . 1615 156 156 ILE HD1 H 0.702 . . 1616 156 156 ILE C C 177.451 . . 1617 156 156 ILE CA C 59.538 . . 1618 156 156 ILE CB C 37.167 . . 1619 156 156 ILE CG1 C 27.005 . . 1620 156 156 ILE CG2 C 19.202 . . 1621 156 156 ILE CD1 C 13.677 . . 1622 156 156 ILE N N 134.145 . . 1623 157 157 THR H H 9.281 . . 1624 157 157 THR HA H 5.311 . . 1625 157 157 THR HB H 3.938 . . 1626 157 157 THR HG2 H 1.054 . . 1627 157 157 THR C C 174.572 . . 1628 157 157 THR CA C 59.679 . . 1629 157 157 THR CB C 72.708 . . 1630 157 157 THR CG2 C 22.523 . . 1631 157 157 THR N N 117.447 . . 1632 158 158 ILE H H 8.624 . . 1633 158 158 ILE HA H 4.293 . . 1634 158 158 ILE HB H 1.738 . . 1635 158 158 ILE HG12 H 1.454 . . 1636 158 158 ILE HG13 H 1.454 . . 1637 158 158 ILE HG2 H 0.363 . . 1638 158 158 ILE HD1 H -0.074 . . 1639 158 158 ILE C C 175.631 . . 1640 158 158 ILE CA C 60.992 . . 1641 158 158 ILE CB C 36.826 . . 1642 158 158 ILE CG1 C 28.544 . . 1643 158 158 ILE CG2 C 18.402 . . 1644 158 158 ILE CD1 C 13.875 . . 1645 158 158 ILE N N 121.950 . . 1646 159 159 ALA H H 8.910 . . 1647 159 159 ALA HA H 4.179 . . 1648 159 159 ALA HB H 1.354 . . 1649 159 159 ALA C C 179.489 . . 1650 159 159 ALA CA C 54.243 . . 1651 159 159 ALA CB C 18.804 . . 1652 159 159 ALA N N 132.727 . . 1653 160 160 ASP H H 8.107 . . 1654 160 160 ASP HA H 4.937 . . 1655 160 160 ASP HB2 H 3.194 . . 1656 160 160 ASP HB3 H 2.918 . . 1657 160 160 ASP C C 173.920 . . 1658 160 160 ASP CA C 52.873 . . 1659 160 160 ASP CB C 43.620 . . 1660 160 160 ASP N N 111.561 . . 1661 161 161 CYS H H 8.640 . . 1662 161 161 CYS HA H 4.626 . . 1663 161 161 CYS HB2 H 3.264 . . 1664 161 161 CYS HB3 H 3.248 . . 1665 161 161 CYS C C 173.426 . . 1666 161 161 CYS CA C 55.518 . . 1667 161 161 CYS CB C 31.463 . . 1668 161 161 CYS N N 116.145 . . 1669 162 162 GLY H H 6.889 . . 1670 162 162 GLY HA2 H 3.948 . . 1671 162 162 GLY HA3 H 3.590 . . 1672 162 162 GLY C C 171.116 . . 1673 162 162 GLY CA C 45.436 . . 1674 162 162 GLY N N 104.114 . . 1675 163 163 GLN H H 9.062 . . 1676 163 163 GLN HA H 5.150 . . 1677 163 163 GLN HB2 H 1.832 . . 1678 163 163 GLN HB3 H 1.832 . . 1679 163 163 GLN C C 176.548 . . 1680 163 163 GLN CA C 54.794 . . 1681 163 163 GLN CB C 30.765 . . 1682 163 163 GLN N N 121.022 . . 1683 164 164 LEU H H 8.639 . . 1684 164 164 LEU HA H 4.641 . . 1685 164 164 LEU HB2 H 1.676 . . 1686 164 164 LEU HB3 H 1.676 . . 1687 164 164 LEU HD1 H 0.883 . . 1688 164 164 LEU HD2 H 0.793 . . 1689 164 164 LEU C C 177.108 . . 1690 164 164 LEU CA C 55.036 . . 1691 164 164 LEU CB C 43.560 . . 1692 164 164 LEU CD1 C 25.391 . . 1693 164 164 LEU CD2 C 23.486 . . 1694 164 164 LEU N N 126.034 . . 1695 165 165 GLU H H 8.131 . . 1696 165 165 GLU N N 125.849 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 218 3 PRO HB2 H 2.069 . . 2 218 3 PRO HB3 H 2.082 . . 3 218 3 PRO HG2 H 2.536 . . 4 218 3 PRO HD2 H 3.485 . . 5 218 3 PRO HD3 H 3.015 . . 6 219 4 GLY H H 8.183 . . 7 219 4 GLY HA2 H 3.615 . . 8 219 4 GLY HA3 H 3.567 . . 9 220 5 PRO HB2 H 2.086 . . 10 220 5 PRO HB3 H 2.086 . . 11 220 5 PRO HG2 H 2.128 . . 12 220 5 PRO HG3 H 1.795 . . 13 220 5 PRO HD2 H 3.077 . . 14 220 5 PRO HD3 H 3.077 . . 15 222 7 ALA HB H 1.375 . . stop_ save_