data_5019 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments of the N-terminal PAS Domain of mNPAS2 ; _BMRB_accession_number 5019 _BMRB_flat_file_name bmr5019.str _Entry_type original _Submission_date 2001-05-22 _Accession_date 2001-05-22 _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 Holdeman Terra C . 2 Gardner Kevin H . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 "13C chemical shifts" 466 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-05 original author . stop_ _Original_release_date 2002-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Chemical Shift Assignments of the N-terminal PAS Domain of mNPAS2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21682383 _PubMed_ID 11824759 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holdeman Terra C . 2 Gardner Kevin H . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 383 _Page_last 384 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_mNPAS2_PAS_A _Saveframe_category molecular_system _Mol_system_name mNPAS2(78-240) _Abbreviation_common 'mNPAS2 PAS A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mNPAS2(78-240) monomer' $mNPAS2(78-240)_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'circadian regulator' 'transcriptional activator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mNPAS2(78-240)_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'neuronal PAS protein 2' _Abbreviation_common mNPAS2 _Molecular_mass 18715 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GAMASFLSNEEFTQLMLEAL DGFVIVVTTDGSIIYVSDSI TPLLGHLPADVMDQNLLNFL PEQEHSEVYKILSSHMLVTD SPSPEFLKSDNDLEFYCHLL RGSLNPKEFPTYEYIKFVGN FRSYNNVPSPSCNGFDNTLS RPCHVPLGKDVCFIATVRLA TPQFLKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 74 GLY 2 75 ALA 3 76 MET 4 77 ALA 5 78 SER 6 79 PHE 7 80 LEU 8 81 SER 9 82 ASN 10 83 GLU 11 84 GLU 12 85 PHE 13 86 THR 14 87 GLN 15 88 LEU 16 89 MET 17 90 LEU 18 91 GLU 19 92 ALA 20 93 LEU 21 94 ASP 22 95 GLY 23 96 PHE 24 97 VAL 25 98 ILE 26 99 VAL 27 100 VAL 28 101 THR 29 102 THR 30 103 ASP 31 104 GLY 32 105 SER 33 106 ILE 34 107 ILE 35 108 TYR 36 109 VAL 37 110 SER 38 111 ASP 39 112 SER 40 113 ILE 41 114 THR 42 115 PRO 43 116 LEU 44 117 LEU 45 118 GLY 46 119 HIS 47 120 LEU 48 121 PRO 49 122 ALA 50 123 ASP 51 124 VAL 52 125 MET 53 126 ASP 54 127 GLN 55 128 ASN 56 129 LEU 57 130 LEU 58 131 ASN 59 132 PHE 60 133 LEU 61 134 PRO 62 135 GLU 63 136 GLN 64 137 GLU 65 138 HIS 66 139 SER 67 140 GLU 68 141 VAL 69 142 TYR 70 143 LYS 71 144 ILE 72 145 LEU 73 146 SER 74 147 SER 75 148 HIS 76 149 MET 77 150 LEU 78 151 VAL 79 152 THR 80 153 ASP 81 154 SER 82 155 PRO 83 156 SER 84 157 PRO 85 158 GLU 86 159 PHE 87 160 LEU 88 161 LYS 89 162 SER 90 163 ASP 91 164 ASN 92 165 ASP 93 166 LEU 94 167 GLU 95 168 PHE 96 169 TYR 97 170 CYS 98 171 HIS 99 172 LEU 100 173 LEU 101 174 ARG 102 175 GLY 103 176 SER 104 177 LEU 105 178 ASN 106 179 PRO 107 180 LYS 108 181 GLU 109 182 PHE 110 183 PRO 111 184 THR 112 185 TYR 113 186 GLU 114 187 TYR 115 188 ILE 116 189 LYS 117 190 PHE 118 191 VAL 119 192 GLY 120 193 ASN 121 194 PHE 122 195 ARG 123 196 SER 124 197 TYR 125 198 ASN 126 199 ASN 127 200 VAL 128 201 PRO 129 202 SER 130 203 PRO 131 204 SER 132 205 CYS 133 206 ASN 134 207 GLY 135 208 PHE 136 209 ASP 137 210 ASN 138 211 THR 139 212 LEU 140 213 SER 141 214 ARG 142 215 PRO 143 216 CYS 144 217 HIS 145 218 VAL 146 219 PRO 147 220 LEU 148 221 GLY 149 222 LYS 150 223 ASP 151 224 VAL 152 225 CYS 153 226 PHE 154 227 ILE 155 228 ALA 156 229 THR 157 230 VAL 158 231 ARG 159 232 LEU 160 233 ALA 161 234 THR 162 235 PRO 163 236 GLN 164 237 PHE 165 238 LEU 166 239 LYS 167 240 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 GB AAB47249 "neuronal PAS2 [Mus musculus]" 97.60 816 100.00 100.00 3.73e-110 GB AAI09167 "Neuronal PAS domain protein 2 [Mus musculus]" 97.60 816 100.00 100.00 4.01e-110 GB EDL14555 "neuronal PAS domain protein 2 [Mus musculus]" 97.60 816 100.00 100.00 3.73e-110 REF NP_001101684 "neuronal PAS domain-containing protein 2 [Rattus norvegicus]" 97.60 816 98.16 99.39 6.29e-108 REF NP_032745 "neuronal PAS domain-containing protein 2 [Mus musculus]" 97.60 816 100.00 100.00 3.73e-110 REF XP_008765253 "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" 97.60 816 98.16 99.39 6.29e-108 REF XP_008765254 "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" 97.60 816 98.16 99.39 6.29e-108 REF XP_008765255 "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" 97.60 816 98.16 99.39 6.29e-108 SP P97460 "RecName: Full=Neuronal PAS domain-containing protein 2; Short=Neuronal PAS2 [Mus musculus]" 97.60 816 100.00 100.00 3.73e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mNPAS2(78-240)_monomer Mouse 10090 Eukaryota Metazoa Mus musculus 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 $mNPAS2(78-240)_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $mNPAS2(78-240)_monomer 1.0 mM 0.8 1.2 '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $mNPAS2(78-240)_monomer 1.2 mM 0.8 1.2 '[U-99% 2H; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 4.0 loop_ _Task assignments stop_ _Details ; Johnson, B.A., Blevins, R.A. (1994) J.Biomol.NMR,4,603-614. ; save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 1.8 loop_ _Task 'data processing' stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A. J. Biomol. NMR 6(1995): 277-293 ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_15N-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; residues 1-4 are vector-derived and hence not part of the natural sequence a minor peak was observed in 15N/1H HSQC experiments for each of the following residues and presumed to originate from a minor conformation: L43, G45, H46, L47, V51, D53, F86, L100, R101, G102, E113 ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mNPAS2(78-240) monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 MET CA C 56.043 0.2 1 2 . 3 MET CB C 32.734 0.2 1 3 . 3 MET C C 176.189 0.2 1 4 . 4 ALA N N 123.741 0.1 1 5 . 4 ALA H H 8.005 0.02 1 6 . 4 ALA CA C 53.019 0.2 1 7 . 4 ALA HA H 4.336 0.02 1 8 . 4 ALA CB C 19.063 0.2 1 9 . 4 ALA C C 178.200 0.2 1 10 . 5 SER N N 114.263 0.1 1 11 . 5 SER H H 8.144 0.02 1 12 . 5 SER HA H 4.696 0.02 1 13 . 7 LEU CA C 54.274 0.2 1 14 . 7 LEU CB C 41.750 0.2 1 15 . 7 LEU C C 175.123 0.2 1 16 . 8 SER N N 114.918 0.1 1 17 . 8 SER H H 8.019 0.02 1 18 . 8 SER CA C 55.772 0.2 1 19 . 8 SER HA H 4.610 0.02 1 20 . 8 SER CB C 64.394 0.2 1 21 . 8 SER C C 173.159 0.2 1 22 . 9 ASN CA C 55.657 0.2 1 23 . 9 ASN CB C 39.066 0.2 1 24 . 9 ASN CG C 176.370 0.2 1 25 . 9 ASN ND2 N 112.940 0.1 1 26 . 9 ASN HD21 H 7.685 0.02 2 27 . 9 ASN HD22 H 6.964 0.02 2 28 . 9 ASN C C 177.279 0.2 1 29 . 10 GLU N N 121.851 0.1 1 30 . 10 GLU H H 9.011 0.02 1 31 . 10 GLU CA C 59.998 0.2 1 32 . 10 GLU CB C 29.413 0.2 1 33 . 10 GLU C C 178.604 0.2 1 34 . 11 GLU N N 120.354 0.1 1 35 . 11 GLU H H 8.094 0.02 1 36 . 11 GLU CA C 59.176 0.2 1 37 . 11 GLU HA H 4.649 0.02 1 38 . 11 GLU CB C 30.303 0.2 1 39 . 11 GLU C C 178.735 0.2 1 40 . 12 PHE N N 120.443 0.1 1 41 . 12 PHE H H 8.385 0.02 1 42 . 12 PHE CA C 61.110 0.2 1 43 . 12 PHE CB C 39.368 0.2 1 44 . 12 PHE C C 176.844 0.2 1 45 . 13 THR N N 114.614 0.1 1 46 . 13 THR H H 8.201 0.02 1 47 . 13 THR CA C 66.472 0.2 1 48 . 13 THR CB C 68.812 0.2 1 49 . 14 GLN N N 120.353 0.1 1 50 . 14 GLN H H 7.739 0.02 1 51 . 14 GLN CA C 58.790 0.2 1 52 . 14 GLN CB C 28.120 0.2 1 53 . 14 GLN CG C 33.390 0.2 1 54 . 14 GLN CD C 179.950 0.2 1 55 . 14 GLN NE2 N 112.300 0.1 1 56 . 14 GLN HE21 H 7.694 0.02 2 57 . 14 GLN HE22 H 6.710 0.02 2 58 . 14 GLN C C 177.650 0.2 1 59 . 15 LEU N N 120.248 0.1 1 60 . 15 LEU H H 7.754 0.02 1 61 . 15 LEU CA C 57.636 0.2 1 62 . 15 LEU CB C 42.146 0.2 1 63 . 15 LEU C C 179.270 0.2 1 64 . 16 MET N N 116.074 0.1 1 65 . 16 MET H H 7.789 0.02 1 66 . 16 MET CA C 57.503 0.2 1 67 . 16 MET CB C 32.005 0.2 1 68 . 16 MET C C 179.010 0.2 1 69 . 17 LEU N N 120.543 0.1 1 70 . 17 LEU H H 7.748 0.02 1 71 . 17 LEU CA C 57.468 0.2 1 72 . 17 LEU CB C 42.171 0.2 1 73 . 17 LEU C C 179.123 0.2 1 74 . 18 GLU N N 117.768 0.1 1 75 . 18 GLU H H 7.733 0.02 1 76 . 18 GLU CA C 57.095 0.2 1 77 . 18 GLU HA H 4.160 0.02 1 78 . 18 GLU CB C 29.861 0.2 1 79 . 18 GLU C C 176.870 0.2 1 80 . 19 ALA N N 122.901 0.1 1 81 . 19 ALA H H 7.480 0.02 1 82 . 19 ALA CA C 51.982 0.2 1 83 . 19 ALA HA H 4.267 0.02 1 84 . 19 ALA CB C 18.471 0.2 1 85 . 19 ALA C C 177.246 0.2 1 86 . 20 LEU N N 120.696 0.1 1 87 . 20 LEU H H 7.684 0.02 1 88 . 20 LEU CA C 57.070 0.2 1 89 . 20 LEU HA H 4.144 0.02 1 90 . 20 LEU CB C 41.725 0.2 1 91 . 20 LEU C C 177.520 0.2 1 92 . 21 ASP N N 118.855 0.1 1 93 . 21 ASP H H 8.667 0.02 1 94 . 21 ASP CA C 53.803 0.2 1 95 . 21 ASP HA H 4.637 0.02 1 96 . 21 ASP CB C 39.944 0.2 1 97 . 21 ASP C C 175.048 0.2 1 98 . 22 GLY N N 107.442 0.1 1 99 . 22 GLY H H 7.703 0.02 1 100 . 22 GLY CA C 45.518 0.2 1 101 . 22 GLY C C 172.329 0.2 1 102 . 23 PHE N N 115.321 0.1 1 103 . 23 PHE H H 8.460 0.02 1 104 . 23 PHE CA C 55.545 0.2 1 105 . 23 PHE HA H 4.893 0.02 1 106 . 23 PHE CB C 41.428 0.2 1 107 . 23 PHE C C 171.649 0.2 1 108 . 24 VAL N N 121.246 0.1 1 109 . 24 VAL H H 8.421 0.02 1 110 . 24 VAL CA C 60.760 0.2 1 111 . 24 VAL CB C 35.128 0.2 1 112 . 24 VAL C C 173.945 0.2 1 113 . 25 ILE N N 125.692 0.1 1 114 . 25 ILE H H 9.065 0.02 1 115 . 25 ILE CA C 58.817 0.2 1 116 . 25 ILE HA H 5.393 0.02 1 117 . 25 ILE CB C 44.022 0.2 1 118 . 25 ILE C C 171.251 0.2 1 119 . 26 VAL N N 124.917 0.1 1 120 . 26 VAL H H 8.563 0.02 1 121 . 26 VAL CA C 61.100 0.2 1 122 . 26 VAL CB C 34.344 0.2 1 123 . 26 VAL C C 175.670 0.2 1 124 . 27 VAL N N 123.754 0.1 1 125 . 27 VAL H H 9.166 0.02 1 126 . 27 VAL CA C 58.457 0.2 1 127 . 27 VAL HA H 5.688 0.02 1 128 . 27 VAL CB C 35.887 0.2 1 129 . 27 VAL C C 176.068 0.2 1 130 . 28 THR N N 115.165 0.1 1 131 . 28 THR H H 9.248 0.02 1 132 . 28 THR CA C 61.761 0.2 1 133 . 28 THR HA H 4.974 0.02 1 134 . 28 THR CB C 70.409 0.2 1 135 . 28 THR C C 177.028 0.2 1 136 . 29 THR N N 108.693 0.1 1 137 . 29 THR H H 8.402 0.02 1 138 . 29 THR CA C 64.926 0.2 1 139 . 29 THR CB C 68.920 0.2 1 140 . 29 THR C C 173.980 0.2 1 141 . 30 ASP N N 115.377 0.1 1 142 . 30 ASP H H 7.772 0.02 1 143 . 30 ASP CA C 53.117 0.2 1 144 . 30 ASP HA H 4.866 0.02 1 145 . 30 ASP CB C 41.056 0.2 1 146 . 30 ASP C C 177.319 0.2 1 147 . 31 GLY N N 107.745 0.1 1 148 . 31 GLY H H 8.281 0.02 1 149 . 31 GLY CA C 44.793 0.2 1 150 . 31 GLY C C 173.744 0.2 1 151 . 32 SER N N 118.582 0.1 1 152 . 32 SER H H 7.999 0.02 1 153 . 32 SER CA C 60.929 0.2 1 154 . 32 SER HA H 4.363 0.02 1 155 . 32 SER CB C 62.884 0.2 1 156 . 32 SER C C 174.183 0.2 1 157 . 33 ILE N N 125.882 0.1 1 158 . 33 ILE H H 8.826 0.02 1 159 . 33 ILE CA C 62.695 0.2 1 160 . 33 ILE CB C 37.755 0.2 1 161 . 33 ILE C C 176.414 0.2 1 162 . 34 ILE N N 125.560 0.1 1 163 . 34 ILE H H 8.684 0.02 1 164 . 34 ILE CA C 61.398 0.2 1 165 . 34 ILE CB C 39.056 0.2 1 166 . 34 ILE C C 175.981 0.2 1 167 . 35 TYR N N 118.729 0.1 1 168 . 35 TYR H H 7.647 0.02 1 169 . 35 TYR CA C 59.378 0.2 1 170 . 35 TYR HA H 4.611 0.02 1 171 . 35 TYR CB C 42.277 0.2 1 172 . 35 TYR C C 173.124 0.2 1 173 . 36 VAL N N 122.331 0.1 1 174 . 36 VAL H H 6.385 0.02 1 175 . 36 VAL CA C 59.344 0.2 1 176 . 36 VAL HA H 5.078 0.02 1 177 . 36 VAL CB C 35.271 0.2 1 178 . 36 VAL C C 172.354 0.2 1 179 . 37 SER N N 119.034 0.1 1 180 . 37 SER H H 8.478 0.02 1 181 . 37 SER CA C 58.086 0.2 1 182 . 37 SER CB C 65.184 0.2 1 183 . 37 SER C C 174.629 0.2 1 184 . 38 ASP N N 117.909 0.1 1 185 . 38 ASP H H 8.601 0.02 1 186 . 38 ASP CA C 57.507 0.2 1 187 . 38 ASP CB C 40.549 0.2 1 188 . 38 ASP C C 178.104 0.2 1 189 . 39 SER N N 112.428 0.1 1 190 . 39 SER H H 8.017 0.02 1 191 . 39 SER CA C 60.065 0.2 1 192 . 39 SER CB C 63.066 0.2 1 193 . 39 SER C C 174.397 0.2 1 194 . 40 ILE N N 121.453 0.1 1 195 . 40 ILE H H 7.657 0.02 1 196 . 40 ILE CA C 65.033 0.2 1 197 . 40 ILE CB C 37.292 0.2 1 198 . 40 ILE C C 176.534 0.2 1 199 . 41 THR N N 120.640 0.1 1 200 . 41 THR H H 7.870 0.02 1 201 . 41 THR CA C 68.126 0.2 1 202 . 41 THR CB C 66.007 0.2 1 203 . 41 THR C C 174.661 0.2 1 204 . 42 PRO CA C 64.980 0.2 1 205 . 42 PRO CB C 30.598 0.2 1 206 . 42 PRO C C 177.941 0.2 1 207 . 43 LEU N N 115.657 0.1 1 208 . 43 LEU H H 6.838 0.02 1 209 . 43 LEU CA C 57.986 0.2 1 210 . 43 LEU HA H 4.358 0.02 1 211 . 43 LEU CB C 43.533 0.2 1 212 . 43 LEU C C 177.729 0.2 1 213 . 44 LEU N N 113.964 0.1 1 214 . 44 LEU H H 8.145 0.02 1 215 . 44 LEU CA C 53.932 0.2 1 216 . 44 LEU HA H 4.700 0.02 1 217 . 44 LEU CB C 47.423 0.2 1 218 . 44 LEU C C 176.805 0.2 1 219 . 45 GLY N N 108.446 0.1 1 220 . 45 GLY H H 8.462 0.02 1 221 . 45 GLY CA C 46.070 0.2 1 222 . 45 GLY C C 173.573 0.2 1 223 . 46 HIS N N 114.596 0.1 1 224 . 46 HIS H H 6.056 0.02 1 225 . 46 HIS CA C 54.653 0.2 1 226 . 46 HIS HA H 4.710 0.02 1 227 . 46 HIS CB C 34.257 0.2 1 228 . 46 HIS C C 176.093 0.2 1 229 . 47 LEU N N 124.519 0.1 1 230 . 47 LEU H H 9.530 0.02 1 231 . 47 LEU CA C 52.795 0.2 1 232 . 47 LEU HA H 4.561 0.02 1 233 . 47 LEU CB C 40.453 0.2 1 234 . 47 LEU C C 176.840 0.2 1 235 . 48 PRO CA C 66.283 0.2 1 236 . 48 PRO CB C 32.058 0.2 1 237 . 48 PRO C C 177.877 0.2 1 238 . 49 ALA N N 116.032 0.1 1 239 . 49 ALA H H 8.264 0.02 1 240 . 49 ALA CA C 54.605 0.2 1 241 . 49 ALA CB C 18.852 0.2 1 242 . 49 ALA C C 178.547 0.2 1 243 . 50 ASP N N 114.585 0.1 1 244 . 50 ASP H H 7.534 0.02 1 245 . 50 ASP CA C 55.755 0.2 1 246 . 50 ASP HA H 4.679 0.02 1 247 . 50 ASP CB C 41.554 0.2 1 248 . 50 ASP C C 176.304 0.2 1 249 . 51 VAL N N 114.363 0.1 1 250 . 51 VAL H H 7.160 0.02 1 251 . 51 VAL CA C 62.500 0.2 1 252 . 51 VAL HA H 4.089 0.02 1 253 . 51 VAL CB C 32.948 0.2 1 254 . 51 VAL C C 175.321 0.2 1 255 . 52 MET N N 117.952 0.1 1 256 . 52 MET H H 7.517 0.02 1 257 . 52 MET CA C 57.886 0.2 1 258 . 52 MET CB C 33.070 0.2 1 259 . 52 MET C C 176.204 0.2 1 260 . 53 ASP N N 116.027 0.1 1 261 . 53 ASP H H 9.035 0.02 1 262 . 53 ASP CA C 56.925 0.2 1 263 . 53 ASP HA H 4.340 0.02 1 264 . 53 ASP CB C 39.891 0.2 1 265 . 53 ASP C C 175.952 0.2 1 266 . 54 GLN N N 116.934 0.1 1 267 . 54 GLN H H 7.767 0.02 1 268 . 54 GLN CA C 54.498 0.2 1 269 . 54 GLN HA H 4.625 0.02 1 270 . 54 GLN CB C 30.298 0.2 1 271 . 54 GLN CG C 33.980 0.2 1 272 . 54 GLN CD C 181.100 0.2 1 273 . 54 GLN NE2 N 113.340 0.1 1 274 . 54 GLN HE21 H 7.569 0.02 2 275 . 54 GLN HE22 H 6.736 0.02 2 276 . 54 GLN C C 174.143 0.2 1 277 . 55 ASN N N 119.612 0.1 1 278 . 55 ASN H H 8.270 0.02 1 279 . 55 ASN CA C 53.509 0.2 1 280 . 55 ASN HA H 4.910 0.02 1 281 . 55 ASN CB C 41.174 0.2 1 282 . 55 ASN CG C 176.430 0.2 1 283 . 55 ASN ND2 N 111.631 0.1 1 284 . 55 ASN HD21 H 7.547 0.02 2 285 . 55 ASN HD22 H 7.027 0.02 2 286 . 55 ASN C C 176.748 0.2 1 287 . 56 LEU N N 128.490 0.1 1 288 . 56 LEU H H 9.572 0.02 1 289 . 56 LEU CA C 58.311 0.2 1 290 . 56 LEU CB C 43.393 0.2 1 291 . 56 LEU C C 177.691 0.2 1 292 . 57 LEU N N 115.137 0.1 1 293 . 57 LEU H H 8.885 0.02 1 294 . 57 LEU CA C 58.212 0.2 1 295 . 57 LEU CB C 39.165 0.2 1 296 . 57 LEU C C 178.442 0.2 1 297 . 58 ASN N N 115.357 0.1 1 298 . 58 ASN H H 7.892 0.02 1 299 . 58 ASN CA C 55.065 0.2 1 300 . 58 ASN HA H 4.464 0.02 1 301 . 58 ASN CB C 37.592 0.2 1 302 . 58 ASN CG C 176.852 0.2 1 303 . 58 ASN ND2 N 110.940 0.1 1 304 . 58 ASN HD21 H 7.426 0.02 2 305 . 58 ASN HD22 H 6.918 0.02 2 306 . 58 ASN C C 176.165 0.2 1 307 . 59 PHE N N 116.603 0.1 1 308 . 59 PHE H H 8.301 0.02 1 309 . 59 PHE CA C 57.718 0.2 1 310 . 59 PHE HA H 4.678 0.02 1 311 . 59 PHE CB C 40.064 0.2 1 312 . 59 PHE C C 173.571 0.2 1 313 . 60 LEU N N 120.782 0.1 1 314 . 60 LEU H H 7.465 0.02 1 315 . 60 LEU CA C 52.744 0.2 1 316 . 60 LEU HA H 5.831 0.02 1 317 . 60 LEU CB C 45.542 0.2 1 318 . 60 LEU C C 176.401 0.2 1 319 . 61 PRO CA C 62.651 0.2 1 320 . 61 PRO CB C 31.678 0.2 1 321 . 61 PRO C C 178.000 0.2 1 322 . 62 GLU N N 122.908 0.1 1 323 . 62 GLU H H 8.634 0.02 1 324 . 62 GLU CA C 59.461 0.2 1 325 . 62 GLU CB C 29.500 0.2 1 326 . 62 GLU C C 178.439 0.2 1 327 . 63 GLN N N 116.271 0.1 1 328 . 63 GLN H H 8.854 0.02 1 329 . 63 GLN CA C 58.478 0.2 1 330 . 63 GLN CB C 27.752 0.2 1 331 . 63 GLN CG C 33.700 0.2 1 332 . 63 GLN CD C 180.610 0.2 1 333 . 63 GLN NE2 N 112.120 0.1 1 334 . 63 GLN HE21 H 7.610 0.02 2 335 . 63 GLN HE22 H 6.798 0.02 2 336 . 63 GLN C C 177.093 0.2 1 337 . 64 GLU N N 117.777 0.1 1 338 . 64 GLU H H 8.003 0.02 1 339 . 64 GLU CA C 56.467 0.2 1 340 . 64 GLU HA H 4.613 0.02 1 341 . 64 GLU CB C 31.238 0.2 1 342 . 64 GLU C C 176.696 0.2 1 343 . 65 HIS N N 118.711 0.1 1 344 . 65 HIS H H 7.650 0.02 1 345 . 65 HIS CA C 59.476 0.2 1 346 . 65 HIS HA H 4.613 0.02 1 347 . 65 HIS CB C 31.786 0.2 1 348 . 65 HIS C C 177.386 0.2 1 349 . 66 SER N N 112.583 0.1 1 350 . 66 SER H H 8.809 0.02 1 351 . 66 SER CA C 62.329 0.2 1 352 . 66 SER C C 177.424 0.2 1 353 . 67 GLU N N 121.178 0.1 1 354 . 67 GLU H H 8.141 0.02 1 355 . 67 GLU CA C 59.094 0.2 1 356 . 67 GLU CB C 29.563 0.2 1 357 . 67 GLU C C 178.603 0.2 1 358 . 68 VAL N N 118.874 0.1 1 359 . 68 VAL H H 7.573 0.02 1 360 . 68 VAL CA C 66.642 0.2 1 361 . 68 VAL CB C 31.289 0.2 1 362 . 68 VAL C C 177.416 0.2 1 363 . 69 TYR N N 119.741 0.1 1 364 . 69 TYR H H 8.614 0.02 1 365 . 69 TYR CA C 62.224 0.2 1 366 . 69 TYR CB C 38.130 0.2 1 367 . 69 TYR C C 178.891 0.2 1 368 . 70 LYS N N 119.577 0.1 1 369 . 70 LYS H H 7.878 0.02 1 370 . 70 LYS CA C 59.783 0.2 1 371 . 70 LYS HA H 3.775 0.02 1 372 . 70 LYS CB C 32.144 0.2 1 373 . 70 LYS C C 178.980 0.2 1 374 . 71 ILE N N 120.396 0.1 1 375 . 71 ILE H H 7.406 0.02 1 376 . 71 ILE CA C 65.030 0.2 1 377 . 71 ILE HA H 3.532 0.02 1 378 . 71 ILE CB C 37.728 0.2 1 379 . 71 ILE C C 178.930 0.2 1 380 . 72 LEU N N 118.219 0.1 1 381 . 72 LEU H H 7.731 0.02 1 382 . 72 LEU CA C 57.685 0.2 1 383 . 72 LEU CB C 41.740 0.2 1 384 . 72 LEU C C 176.867 0.2 1 385 . 73 SER N N 108.195 0.1 1 386 . 73 SER H H 7.566 0.02 1 387 . 73 SER CA C 59.265 0.2 1 388 . 73 SER HA H 4.412 0.02 1 389 . 73 SER CB C 63.998 0.2 1 390 . 73 SER C C 176.465 0.2 1 391 . 74 SER N N 117.070 0.1 1 392 . 74 SER H H 7.570 0.02 1 393 . 74 SER CA C 60.050 0.2 1 394 . 74 SER HA H 4.274 0.02 1 395 . 74 SER CB C 63.522 0.2 1 396 . 74 SER C C 174.475 0.2 1 397 . 75 HIS N N 120.468 0.1 1 398 . 75 HIS H H 7.240 0.02 1 399 . 75 HIS CA C 57.065 0.2 1 400 . 75 HIS HA H 3.985 0.02 1 401 . 75 HIS CB C 29.531 0.2 1 402 . 75 HIS C C 174.989 0.2 1 403 . 76 MET N N 118.989 0.1 1 404 . 76 MET H H 7.556 0.02 1 405 . 76 MET CA C 55.853 0.2 1 406 . 76 MET CB C 32.889 0.2 1 407 . 76 MET C C 175.770 0.2 1 408 . 77 LEU CA C 55.333 0.2 1 409 . 77 LEU CB C 42.312 0.2 1 410 . 77 LEU C C 177.216 0.2 1 411 . 78 VAL N N 120.512 0.1 1 412 . 78 VAL H H 7.974 0.02 1 413 . 78 VAL CA C 62.380 0.2 1 414 . 78 VAL HA H 4.208 0.02 1 415 . 78 VAL CB C 32.762 0.2 1 416 . 78 VAL C C 176.412 0.2 1 417 . 79 THR N N 116.650 0.1 1 418 . 79 THR H H 8.108 0.02 1 419 . 79 THR CA C 61.773 0.2 1 420 . 79 THR CB C 69.866 0.2 1 421 . 79 THR C C 174.186 0.2 1 422 . 80 ASP N N 121.737 0.1 1 423 . 80 ASP H H 8.238 0.02 1 424 . 80 ASP CA C 54.434 0.2 1 425 . 80 ASP CB C 41.089 0.2 1 426 . 80 ASP C C 175.828 0.2 1 427 . 81 SER N N 116.080 0.1 1 428 . 81 SER H H 7.985 0.02 1 429 . 81 SER CA C 56.292 0.2 1 430 . 81 SER CB C 63.904 0.2 1 431 . 81 SER C C 172.848 0.2 1 432 . 84 PRO CA C 63.898 0.2 1 433 . 84 PRO CB C 32.133 0.2 1 434 . 84 PRO C C 177.199 0.2 1 435 . 85 GLU N N 119.231 0.1 1 436 . 85 GLU H H 8.409 0.02 1 437 . 85 GLU CA C 57.202 0.2 1 438 . 85 GLU HA H 4.202 0.02 1 439 . 85 GLU CB C 30.177 0.2 1 440 . 85 GLU C C 176.355 0.2 1 441 . 86 PHE N N 119.713 0.1 1 442 . 86 PHE H H 7.947 0.02 1 443 . 86 PHE CA C 57.847 0.2 1 444 . 86 PHE HA H 4.637 0.02 1 445 . 86 PHE CB C 39.610 0.2 1 446 . 86 PHE C C 175.431 0.2 1 447 . 87 LEU N N 123.245 0.1 1 448 . 87 LEU H H 7.985 0.02 1 449 . 87 LEU CA C 55.408 0.2 1 450 . 87 LEU HA H 4.348 0.02 1 451 . 87 LEU CB C 42.692 0.2 1 452 . 87 LEU C C 176.633 0.2 1 453 . 88 LYS N N 122.062 0.1 1 454 . 88 LYS H H 8.126 0.02 1 455 . 88 LYS CA C 56.237 0.2 1 456 . 88 LYS CB C 33.462 0.2 1 457 . 88 LYS C C 176.501 0.2 1 458 . 89 SER N N 117.488 0.1 1 459 . 89 SER H H 8.416 0.02 1 460 . 89 SER CA C 58.334 0.2 1 461 . 89 SER CB C 64.254 0.2 1 462 . 89 SER C C 174.411 0.2 1 463 . 90 ASP N N 122.345 0.1 1 464 . 90 ASP H H 8.454 0.02 1 465 . 90 ASP CA C 54.789 0.2 1 466 . 90 ASP CB C 41.266 0.2 1 467 . 90 ASP C C 175.840 0.2 1 468 . 91 ASN N N 117.719 0.1 1 469 . 91 ASN H H 8.204 0.02 1 470 . 91 ASN CA C 53.014 0.2 1 471 . 91 ASN HA H 4.913 0.02 1 472 . 91 ASN CB C 40.215 0.2 1 473 . 91 ASN CG C 176.874 0.2 1 474 . 91 ASN ND2 N 113.680 0.1 1 475 . 91 ASN HD21 H 7.600 0.02 2 476 . 91 ASN HD22 H 6.953 0.02 2 477 . 91 ASN C C 174.642 0.2 1 478 . 92 ASP N N 121.082 0.1 1 479 . 92 ASP H H 8.380 0.02 1 480 . 92 ASP CA C 55.429 0.2 1 481 . 92 ASP HA H 4.735 0.02 1 482 . 92 ASP CB C 41.565 0.2 1 483 . 92 ASP C C 176.037 0.2 1 484 . 93 LEU N N 122.496 0.1 1 485 . 93 LEU H H 8.898 0.02 1 486 . 93 LEU CA C 55.163 0.2 1 487 . 93 LEU HA H 4.685 0.02 1 488 . 93 LEU CB C 44.413 0.2 1 489 . 93 LEU C C 175.034 0.2 1 490 . 94 GLU N N 120.790 0.1 1 491 . 94 GLU H H 8.244 0.02 1 492 . 94 GLU CA C 53.763 0.2 1 493 . 94 GLU HA H 5.659 0.02 1 494 . 94 GLU CB C 33.626 0.2 1 495 . 94 GLU C C 175.882 0.2 1 496 . 95 PHE N N 117.830 0.1 1 497 . 95 PHE H H 8.408 0.02 1 498 . 95 PHE CA C 56.923 0.2 1 499 . 95 PHE HA H 4.906 0.02 1 500 . 95 PHE CB C 40.353 0.2 1 501 . 95 PHE C C 171.467 0.2 1 502 . 96 TYR N N 119.229 0.1 1 503 . 96 TYR H H 8.775 0.02 1 504 . 96 TYR CA C 56.298 0.2 1 505 . 96 TYR HA H 5.513 0.02 1 506 . 96 TYR CB C 41.364 0.2 1 507 . 96 TYR C C 176.246 0.2 1 508 . 97 CYS N N 115.053 0.1 1 509 . 97 CYS H H 8.871 0.02 1 510 . 97 CYS CA C 57.284 0.2 1 511 . 97 CYS HA H 4.940 0.02 1 512 . 97 CYS CB C 29.585 0.2 1 513 . 97 CYS C C 170.951 0.2 1 514 . 98 HIS N N 120.049 0.1 1 515 . 98 HIS H H 11.030 0.02 1 516 . 98 HIS CA C 56.508 0.2 1 517 . 98 HIS CB C 30.521 0.2 1 518 . 98 HIS C C 173.390 0.2 1 519 . 99 LEU N N 118.586 0.1 1 520 . 99 LEU H H 8.884 0.02 1 521 . 99 LEU CA C 53.163 0.2 1 522 . 99 LEU HA H 5.693 0.02 1 523 . 99 LEU CB C 46.994 0.2 1 524 . 99 LEU C C 177.091 0.2 1 525 . 100 LEU N N 127.058 0.1 1 526 . 100 LEU H H 9.433 0.02 1 527 . 100 LEU CA C 55.687 0.2 1 528 . 100 LEU CB C 44.944 0.2 1 529 . 100 LEU C C 176.757 0.2 1 530 . 101 ARG N N 124.825 0.1 1 531 . 101 ARG H H 8.561 0.02 1 532 . 101 ARG CA C 56.671 0.2 1 533 . 101 ARG CB C 32.190 0.2 1 534 . 101 ARG C C 177.352 0.2 1 535 . 102 GLY N N 107.211 0.1 1 536 . 102 GLY H H 8.104 0.02 1 537 . 102 GLY CA C 44.664 0.2 1 538 . 102 GLY C C 173.358 0.2 1 539 . 103 SER N N 114.288 0.1 1 540 . 103 SER H H 8.235 0.02 1 541 . 103 SER CA C 57.938 0.2 1 542 . 103 SER HA H 4.381 0.02 1 543 . 103 SER CB C 64.076 0.2 1 544 . 103 SER C C 174.500 0.2 1 545 . 104 LEU N N 123.024 0.1 1 546 . 104 LEU H H 8.380 0.02 1 547 . 104 LEU CA C 55.506 0.2 1 548 . 104 LEU CB C 42.169 0.2 1 549 . 104 LEU C C 177.242 0.2 1 550 . 105 ASN N N 118.111 0.1 1 551 . 105 ASN H H 8.221 0.02 1 552 . 105 ASN CA C 51.031 0.2 1 553 . 105 ASN HA H 4.920 0.02 1 554 . 105 ASN CB C 39.380 0.2 1 555 . 105 ASN CG C 177.370 0.2 1 556 . 105 ASN ND2 N 113.750 0.1 1 557 . 105 ASN HD21 H 7.682 0.02 2 558 . 105 ASN HD22 H 6.962 0.02 2 559 . 105 ASN C C 173.860 0.2 1 560 . 106 PRO CA C 64.187 0.2 1 561 . 106 PRO CB C 32.421 0.2 1 562 . 106 PRO C C 177.228 0.2 1 563 . 107 LYS N N 117.306 0.1 1 564 . 107 LYS H H 8.066 0.02 1 565 . 107 LYS CA C 56.291 0.2 1 566 . 107 LYS HA H 4.221 0.02 1 567 . 107 LYS CB C 32.390 0.2 1 568 . 107 LYS C C 176.802 0.2 1 569 . 108 GLU N N 119.537 0.1 1 570 . 108 GLU H H 7.714 0.02 1 571 . 108 GLU CA C 56.649 0.2 1 572 . 108 GLU CB C 30.901 0.2 1 573 . 108 GLU C C 175.899 0.2 1 574 . 109 PHE N N 121.661 0.1 1 575 . 109 PHE H H 8.126 0.02 1 576 . 109 PHE CA C 55.880 0.2 1 577 . 109 PHE CB C 38.890 0.2 1 578 . 109 PHE C C 173.656 0.2 1 579 . 110 PRO CA C 63.447 0.2 1 580 . 110 PRO CB C 32.505 0.2 1 581 . 110 PRO C C 176.310 0.2 1 582 . 111 THR N N 116.018 0.1 1 583 . 111 THR H H 7.989 0.02 1 584 . 111 THR CA C 61.392 0.2 1 585 . 111 THR CB C 71.537 0.2 1 586 . 111 THR C C 172.271 0.2 1 587 . 112 TYR N N 120.391 0.1 1 588 . 112 TYR H H 8.735 0.02 1 589 . 112 TYR CA C 57.290 0.2 1 590 . 112 TYR HA H 5.234 0.02 1 591 . 112 TYR CB C 42.220 0.2 1 592 . 112 TYR C C 176.224 0.2 1 593 . 113 GLU N N 122.217 0.1 1 594 . 113 GLU H H 9.354 0.02 1 595 . 113 GLU CA C 54.200 0.2 1 596 . 113 GLU HA H 4.965 0.02 1 597 . 113 GLU CB C 32.955 0.2 1 598 . 113 GLU C C 175.300 0.2 1 599 . 114 TYR N N 127.193 0.1 1 600 . 114 TYR H H 9.151 0.02 1 601 . 114 TYR CA C 57.331 0.2 1 602 . 114 TYR HA H 4.880 0.02 1 603 . 114 TYR CB C 38.331 0.2 1 604 . 114 TYR C C 175.294 0.2 1 605 . 115 ILE N N 126.668 0.1 1 606 . 115 ILE H H 9.130 0.02 1 607 . 115 ILE CA C 59.005 0.2 1 608 . 115 ILE HA H 4.792 0.02 1 609 . 115 ILE CB C 42.409 0.2 1 610 . 115 ILE C C 172.374 0.2 1 611 . 116 LYS N N 120.682 0.1 1 612 . 116 LYS H H 8.573 0.02 1 613 . 116 LYS CA C 54.201 0.2 1 614 . 116 LYS HA H 4.420 0.02 1 615 . 116 LYS CB C 36.802 0.2 1 616 . 116 LYS C C 175.814 0.2 1 617 . 117 PHE N N 127.839 0.1 1 618 . 117 PHE H H 8.948 0.02 1 619 . 117 PHE CA C 56.557 0.2 1 620 . 117 PHE HA H 4.464 0.02 1 621 . 117 PHE CB C 42.330 0.2 1 622 . 117 PHE C C 175.526 0.2 1 623 . 118 VAL N N 117.777 0.1 1 624 . 118 VAL H H 7.889 0.02 1 625 . 118 VAL CA C 61.333 0.2 1 626 . 118 VAL HA H 4.954 0.02 1 627 . 118 VAL CB C 34.623 0.2 1 628 . 118 VAL C C 176.704 0.2 1 629 . 119 GLY N N 114.441 0.1 1 630 . 119 GLY H H 9.183 0.02 1 631 . 119 GLY CA C 46.790 0.2 1 632 . 119 GLY C C 170.586 0.2 1 633 . 120 ASN N N 114.250 0.1 1 634 . 120 ASN H H 7.758 0.02 1 635 . 120 ASN CA C 51.946 0.2 1 636 . 120 ASN CB C 42.818 0.2 1 637 . 120 ASN CG C 177.490 0.2 1 638 . 120 ASN ND2 N 114.200 0.1 1 639 . 120 ASN HD21 H 7.743 0.02 2 640 . 120 ASN HD22 H 7.053 0.02 2 641 . 120 ASN C C 173.359 0.2 1 642 . 121 PHE N N 119.197 0.1 1 643 . 121 PHE H H 9.115 0.02 1 644 . 121 PHE CA C 58.001 0.2 1 645 . 121 PHE HA H 5.639 0.02 1 646 . 121 PHE CB C 40.960 0.2 1 647 . 121 PHE C C 176.534 0.2 1 648 . 122 ARG N N 121.091 0.1 1 649 . 122 ARG H H 9.217 0.02 1 650 . 122 ARG CA C 54.032 0.2 1 651 . 122 ARG HA H 4.831 0.02 1 652 . 122 ARG CB C 34.818 0.2 1 653 . 122 ARG C C 174.936 0.2 1 654 . 123 SER N N 117.260 0.1 1 655 . 123 SER H H 8.561 0.02 1 656 . 123 SER CA C 58.071 0.2 1 657 . 123 SER CB C 64.584 0.2 1 658 . 123 SER C C 174.028 0.2 1 659 . 124 TYR N N 122.699 0.1 1 660 . 124 TYR H H 8.543 0.02 1 661 . 124 TYR CA C 57.225 0.2 1 662 . 124 TYR CB C 40.144 0.2 1 663 . 124 TYR C C 174.259 0.2 1 664 . 125 ASN N N 119.640 0.1 1 665 . 125 ASN H H 8.325 0.02 1 666 . 125 ASN CA C 53.031 0.2 1 667 . 125 ASN CB C 39.413 0.2 1 668 . 125 ASN CG C 176.950 0.2 1 669 . 125 ASN ND2 N 112.350 0.1 1 670 . 125 ASN HD21 H 7.504 0.02 2 671 . 125 ASN HD22 H 6.815 0.02 2 672 . 125 ASN C C 174.480 0.2 1 673 . 126 ASN N N 120.024 0.1 1 674 . 126 ASN H H 8.262 0.02 1 675 . 126 ASN CA C 53.045 0.2 1 676 . 126 ASN CB C 39.091 0.2 1 677 . 126 ASN CG C 176.780 0.2 1 678 . 126 ASN ND2 N 112.290 0.1 1 679 . 126 ASN HD21 H 7.504 0.02 2 680 . 126 ASN HD22 H 6.803 0.02 2 681 . 126 ASN C C 174.480 0.2 1 682 . 127 VAL N N 121.353 0.1 1 683 . 127 VAL H H 7.948 0.02 1 684 . 127 VAL CA C 59.901 0.2 1 685 . 127 VAL CB C 32.844 0.2 1 686 . 127 VAL C C 174.288 0.2 1 687 . 132 CYS CA C 58.291 0.2 1 688 . 132 CYS CB C 28.805 0.2 1 689 . 133 ASN N N 125.908 0.1 1 690 . 133 ASN H H 8.024 0.02 1 691 . 133 ASN CA C 54.986 0.2 1 692 . 133 ASN CB C 41.065 0.2 1 693 . 133 ASN C C 176.087 0.2 1 694 . 134 GLY N N 113.664 0.1 1 695 . 134 GLY H H 8.120 0.02 1 696 . 134 GLY CA C 45.451 0.2 1 697 . 134 GLY C C 174.236 0.2 1 698 . 135 PHE N N 119.634 0.1 1 699 . 135 PHE H H 8.136 0.02 1 700 . 135 PHE CA C 57.890 0.2 1 701 . 135 PHE CB C 39.666 0.2 1 702 . 135 PHE C C 175.412 0.2 1 703 . 136 ASP N N 121.657 0.1 1 704 . 136 ASP H H 8.256 0.02 1 705 . 136 ASP CA C 54.537 0.2 1 706 . 136 ASP HA H 4.614 0.02 1 707 . 136 ASP CB C 41.239 0.2 1 708 . 136 ASP C C 176.054 0.2 1 709 . 137 ASN N N 119.725 0.1 1 710 . 137 ASN H H 8.414 0.02 1 711 . 137 ASN CA C 53.893 0.2 1 712 . 137 ASN HA H 4.210 0.02 1 713 . 137 ASN CB C 38.779 0.2 1 714 . 137 ASN CG C 177.200 0.2 1 715 . 137 ASN ND2 N 112.570 0.1 1 716 . 137 ASN HD21 H 7.571 0.02 2 717 . 137 ASN HD22 H 6.892 0.02 2 718 . 137 ASN C C 175.945 0.2 1 719 . 138 THR N N 113.724 0.1 1 720 . 138 THR H H 8.260 0.02 1 721 . 138 THR CA C 63.090 0.2 1 722 . 138 THR CB C 69.761 0.2 1 723 . 138 THR C C 175.066 0.2 1 724 . 139 LEU N N 122.723 0.1 1 725 . 139 LEU H H 7.974 0.02 1 726 . 139 LEU CA C 55.397 0.2 1 727 . 139 LEU CB C 42.351 0.2 1 728 . 139 LEU C C 177.300 0.2 1 729 . 140 SER N N 115.736 0.1 1 730 . 140 SER H H 8.108 0.02 1 731 . 140 SER CA C 63.809 0.2 1 732 . 140 SER CB C 58.384 0.2 1 733 . 140 SER C C 175.310 0.2 1 734 . 141 ARG N N 123.239 0.1 1 735 . 141 ARG H H 8.121 0.02 1 736 . 141 ARG CA C 53.908 0.2 1 737 . 141 ARG HA H 4.359 0.02 1 738 . 141 ARG CB C 30.675 0.2 1 739 . 141 ARG C C 176.610 0.2 1 740 . 146 PRO CA C 63.039 0.2 1 741 . 146 PRO CB C 32.159 0.2 1 742 . 146 PRO C C 176.575 0.2 1 743 . 147 LEU N N 122.160 0.1 1 744 . 147 LEU H H 8.248 0.02 1 745 . 147 LEU CA C 55.441 0.2 1 746 . 147 LEU CB C 42.732 0.2 1 747 . 147 LEU C C 177.998 0.2 1 748 . 148 GLY N N 109.966 0.1 1 749 . 148 GLY H H 8.409 0.02 1 750 . 148 GLY CA C 45.557 0.2 1 751 . 148 GLY C C 173.950 0.2 1 752 . 149 LYS N N 119.725 0.1 1 753 . 149 LYS H H 8.039 0.02 1 754 . 149 LYS CA C 56.091 0.2 1 755 . 149 LYS CB C 33.359 0.2 1 756 . 149 LYS C C 175.847 0.2 1 757 . 150 ASP N N 120.712 0.1 1 758 . 150 ASP H H 8.448 0.02 1 759 . 150 ASP CA C 54.278 0.2 1 760 . 150 ASP CB C 42.056 0.2 1 761 . 150 ASP C C 175.116 0.2 1 762 . 151 VAL N N 119.193 0.1 1 763 . 151 VAL H H 8.191 0.02 1 764 . 151 VAL CA C 61.542 0.2 1 765 . 151 VAL HA H 4.771 0.02 1 766 . 151 VAL CB C 34.719 0.2 1 767 . 151 VAL C C 174.901 0.2 1 768 . 152 CYS N N 120.259 0.1 1 769 . 152 CYS H H 9.113 0.02 1 770 . 152 CYS CA C 55.909 0.2 1 771 . 152 CYS HA H 5.279 0.02 1 772 . 152 CYS CB C 31.819 0.2 1 773 . 152 CYS C C 171.141 0.2 1 774 . 153 PHE N N 123.363 0.1 1 775 . 153 PHE H H 9.573 0.02 1 776 . 153 PHE CA C 56.514 0.2 1 777 . 153 PHE HA H 4.778 0.02 1 778 . 153 PHE CB C 41.005 0.2 1 779 . 153 PHE C C 173.365 0.2 1 780 . 154 ILE N N 127.008 0.1 1 781 . 154 ILE H H 8.225 0.02 1 782 . 154 ILE CA C 60.311 0.2 1 783 . 154 ILE HA H 4.621 0.02 1 784 . 154 ILE CB C 39.278 0.2 1 785 . 154 ILE C C 174.674 0.2 1 786 . 155 ALA N N 128.481 0.1 1 787 . 155 ALA H H 8.941 0.02 1 788 . 155 ALA CA C 49.894 0.2 1 789 . 155 ALA HA H 5.124 0.02 1 790 . 155 ALA CB C 24.483 0.2 1 791 . 155 ALA C C 175.494 0.2 1 792 . 156 THR N N 113.540 0.1 1 793 . 156 THR H H 8.345 0.02 1 794 . 156 THR CA C 61.617 0.2 1 795 . 156 THR HA H 4.595 0.02 1 796 . 156 THR CB C 69.766 0.2 1 797 . 156 THR C C 173.859 0.2 1 798 . 157 VAL N N 128.731 0.1 1 799 . 157 VAL H H 8.749 0.02 1 800 . 157 VAL CA C 60.484 0.2 1 801 . 157 VAL HA H 4.175 0.02 1 802 . 157 VAL CB C 31.723 0.2 1 803 . 157 VAL C C 174.046 0.2 1 804 . 158 ARG N N 121.446 0.1 1 805 . 158 ARG H H 7.815 0.02 1 806 . 158 ARG CA C 53.913 0.2 1 807 . 158 ARG HA H 4.584 0.02 1 808 . 158 ARG CB C 35.277 0.2 1 809 . 158 ARG C C 175.392 0.2 1 810 . 159 LEU N N 120.374 0.1 1 811 . 159 LEU H H 8.677 0.02 1 812 . 159 LEU CA C 56.805 0.2 1 813 . 159 LEU HA H 4.366 0.02 1 814 . 159 LEU CB C 41.415 0.2 1 815 . 159 LEU C C 177.226 0.2 1 816 . 160 ALA N N 125.369 0.1 1 817 . 160 ALA H H 8.529 0.02 1 818 . 160 ALA CA C 51.560 0.2 1 819 . 160 ALA HA H 4.563 0.02 1 820 . 160 ALA CB C 21.471 0.2 1 821 . 160 ALA C C 176.480 0.2 1 822 . 161 THR N N 115.396 0.1 1 823 . 161 THR H H 8.152 0.02 1 824 . 161 THR CA C 59.936 0.2 1 825 . 161 THR HA H 4.730 0.02 1 826 . 161 THR CB C 70.028 0.2 1 827 . 161 THR C C 172.886 0.2 1 828 . 162 PRO CA C 63.351 0.2 1 829 . 162 PRO CB C 32.181 0.2 1 830 . 162 PRO C C 176.616 0.2 1 831 . 163 GLN N N 120.485 0.1 1 832 . 163 GLN H H 8.292 0.02 1 833 . 163 GLN CA C 56.012 0.2 1 834 . 163 GLN CB C 29.651 0.2 1 835 . 163 GLN CG C 33.850 0.2 1 836 . 163 GLN CD C 180.520 0.2 1 837 . 163 GLN NE2 N 112.700 0.1 1 838 . 163 GLN HE21 H 7.409 0.02 2 839 . 163 GLN HE22 H 6.790 0.02 2 840 . 163 GLN C C 175.730 0.2 1 841 . 164 PHE N N 120.253 0.1 1 842 . 164 PHE H H 8.051 0.02 1 843 . 164 PHE CA C 57.325 0.2 1 844 . 164 PHE HA H 4.647 0.02 1 845 . 164 PHE CB C 39.560 0.2 1 846 . 164 PHE C C 175.297 0.2 1 847 . 165 LEU N N 123.995 0.1 1 848 . 165 LEU H H 8.095 0.02 1 849 . 165 LEU CA C 54.962 0.2 1 850 . 165 LEU HA H 4.352 0.02 1 851 . 165 LEU CB C 42.616 0.2 1 852 . 165 LEU C C 176.608 0.2 1 853 . 166 LYS N N 123.355 0.1 1 854 . 166 LYS H H 8.193 0.02 1 855 . 166 LYS CA C 56.250 0.2 1 856 . 166 LYS HA H 4.325 0.02 1 857 . 166 LYS CB C 33.376 0.2 1 858 . 166 LYS C C 175.424 0.2 1 859 . 167 GLU N N 127.833 0.1 1 860 . 167 GLU H H 7.965 0.02 1 861 . 167 GLU CA C 58.071 0.2 1 862 . 167 GLU HA H 4.134 0.02 1 863 . 167 GLU CB C 31.472 0.2 1 864 . 167 GLU C C 181.080 0.2 1 stop_ save_