data_7024 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the 34kD rabbitpox vCCI:human MIP-1b complex ; _BMRB_accession_number 7024 _BMRB_flat_file_name bmr7024.str _Entry_type original _Submission_date 2006-03-20 _Accession_date 2006-03-20 _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 Zhang Li . . 2 LiWang Patricia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 544 "13C chemical shifts" 782 "15N chemical shifts" 270 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-08-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of the 34 kD rabbitpox vCCI:human MIP-1beta complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16804766 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Li . . 2 LiWang Patricia J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49 _Page_last 49 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rabbitpox vCCI:human MIP-1b complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human MIP-1b' $human_MIP-1b 'rabbitpox vCCI' $rabbitpox_vCCI stop_ _System_molecular_weight 33748 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_MIP-1b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human MIP-1b' _Molecular_mass 7619 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function chemotaxis stop_ _Details '45AASA48 mutant' ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; APMGSDPPTACCFSYTARKL PRNFVVDYYETSSLCSQPAV VFQTAASAQVCADPSESWVQ EYVYDLELN ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 MET 4 GLY 5 SER 6 ASP 7 PRO 8 PRO 9 THR 10 ALA 11 CYS 12 CYS 13 PHE 14 SER 15 TYR 16 THR 17 ALA 18 ARG 19 LYS 20 LEU 21 PRO 22 ARG 23 ASN 24 PHE 25 VAL 26 VAL 27 ASP 28 TYR 29 TYR 30 GLU 31 THR 32 SER 33 SER 34 LEU 35 CYS 36 SER 37 GLN 38 PRO 39 ALA 40 VAL 41 VAL 42 PHE 43 GLN 44 THR 45 ALA 46 ALA 47 SER 48 ALA 49 GLN 50 VAL 51 CYS 52 ALA 53 ASP 54 PRO 55 SER 56 GLU 57 SER 58 TRP 59 VAL 60 GLN 61 GLU 62 TYR 63 VAL 64 TYR 65 ASP 66 LEU 67 GLU 68 LEU 69 ASN 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 BMRB 6809 monomer 100.00 242 100.00 100.00 1.23e-171 PDB 2FFK "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Minimized Average S" 100.00 242 100.00 100.00 1.23e-171 PDB 2FIN "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Ensemble Structure" 100.00 242 100.00 100.00 1.23e-171 DBJ BAA00487 "35K major secreted protein [Vaccinia virus]" 100.00 258 99.17 99.59 7.76e-170 EMBL CAA64086 "D1L protein [Cowpox virus]" 100.00 255 97.52 97.93 2.03e-165 EMBL CAD90757 "I5R protein [Cowpox virus]" 100.00 255 97.52 97.93 2.03e-165 EMBL CAM58165 "viral chemokine binding protein [Vaccinia virus Ankara]" 100.00 241 97.93 98.76 4.26e-166 EMBL CAM58393 "viral chemokine binding protein [Vaccinia virus Ankara]" 100.00 241 97.93 98.76 4.26e-166 GB AAA47970 "putative C23L [Vaccinia virus Copenhagen]" 100.00 244 98.76 99.59 7.88e-169 GB AAA48229 "putative B29R [Vaccinia virus Copenhagen]" 100.00 244 98.76 99.59 7.88e-169 GB AAB53969 "35kDa major secreted protein [Rabbitpox virus]" 100.00 258 100.00 100.00 1.14e-171 GB AAF33853 "TC20L [Vaccinia virus Tian Tan]" 100.00 244 99.17 100.00 5.90e-170 GB AAF34094 "TB23R [Vaccinia virus Tian Tan]" 100.00 244 99.17 100.00 5.90e-170 REF YP_232883 "chemokine-binding protein [Vaccinia virus]" 100.00 244 99.17 100.00 5.90e-170 REF YP_233100 "chemokine-binding protein [Vaccinia virus]" 100.00 244 99.17 100.00 5.90e-170 SP P19063 "RecName: Full=Chemokine-binding protein; Short=vCKBP; AltName: Full=35 kDa protein; Flags: Precursor [Vaccinia virus Lister]" 100.00 258 99.17 99.59 7.76e-170 SP P21090 "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus Copenhagen]" 100.00 244 98.76 99.59 7.88e-169 SP Q805H7 "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus WR]" 100.00 244 99.17 100.00 5.90e-170 stop_ save_ save_rabbitpox_vCCI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rabbitpox vCCI' _Molecular_mass 26129 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'inhibit CC chemokine' stop_ _Details . _Residue_count 242 _Mol_residue_sequence ; MPASLQQSSSSSSSCTEEEN KHHMGIDVIIKVTKQDQTPT NDKICQSVTEITESESDPDP EVESEDDSTSVEDVDPPTTY YSIIGGGLRMNFGFTKCPQI KSISESADGNTVNARLSSVS PGQGKDSPAITHEEALAMIK DCEVSIDIRCSEEEKDSDIK THPVLGSNISHKKVSYEDII GSTIVDTKCVKNLEFSVRIG DMCKESSELEVKDGFKYVDG SASKGATDDTSLIDSTKLKA CV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ALA 4 SER 5 LEU 6 GLN 7 GLN 8 SER 9 SER 10 SER 11 SER 12 SER 13 SER 14 SER 15 CYS 16 THR 17 GLU 18 GLU 19 GLU 20 ASN 21 LYS 22 HIS 23 HIS 24 MET 25 GLY 26 ILE 27 ASP 28 VAL 29 ILE 30 ILE 31 LYS 32 VAL 33 THR 34 LYS 35 GLN 36 ASP 37 GLN 38 THR 39 PRO 40 THR 41 ASN 42 ASP 43 LYS 44 ILE 45 CYS 46 GLN 47 SER 48 VAL 49 THR 50 GLU 51 ILE 52 THR 53 GLU 54 SER 55 GLU 56 SER 57 ASP 58 PRO 59 ASP 60 PRO 61 GLU 62 VAL 63 GLU 64 SER 65 GLU 66 ASP 67 ASP 68 SER 69 THR 70 SER 71 VAL 72 GLU 73 ASP 74 VAL 75 ASP 76 PRO 77 PRO 78 THR 79 THR 80 TYR 81 TYR 82 SER 83 ILE 84 ILE 85 GLY 86 GLY 87 GLY 88 LEU 89 ARG 90 MET 91 ASN 92 PHE 93 GLY 94 PHE 95 THR 96 LYS 97 CYS 98 PRO 99 GLN 100 ILE 101 LYS 102 SER 103 ILE 104 SER 105 GLU 106 SER 107 ALA 108 ASP 109 GLY 110 ASN 111 THR 112 VAL 113 ASN 114 ALA 115 ARG 116 LEU 117 SER 118 SER 119 VAL 120 SER 121 PRO 122 GLY 123 GLN 124 GLY 125 LYS 126 ASP 127 SER 128 PRO 129 ALA 130 ILE 131 THR 132 HIS 133 GLU 134 GLU 135 ALA 136 LEU 137 ALA 138 MET 139 ILE 140 LYS 141 ASP 142 CYS 143 GLU 144 VAL 145 SER 146 ILE 147 ASP 148 ILE 149 ARG 150 CYS 151 SER 152 GLU 153 GLU 154 GLU 155 LYS 156 ASP 157 SER 158 ASP 159 ILE 160 LYS 161 THR 162 HIS 163 PRO 164 VAL 165 LEU 166 GLY 167 SER 168 ASN 169 ILE 170 SER 171 HIS 172 LYS 173 LYS 174 VAL 175 SER 176 TYR 177 GLU 178 ASP 179 ILE 180 ILE 181 GLY 182 SER 183 THR 184 ILE 185 VAL 186 ASP 187 THR 188 LYS 189 CYS 190 VAL 191 LYS 192 ASN 193 LEU 194 GLU 195 PHE 196 SER 197 VAL 198 ARG 199 ILE 200 GLY 201 ASP 202 MET 203 CYS 204 LYS 205 GLU 206 SER 207 SER 208 GLU 209 LEU 210 GLU 211 VAL 212 LYS 213 ASP 214 GLY 215 PHE 216 LYS 217 TYR 218 VAL 219 ASP 220 GLY 221 SER 222 ALA 223 SER 224 LYS 225 GLY 226 ALA 227 THR 228 ASP 229 ASP 230 THR 231 SER 232 LEU 233 ILE 234 ASP 235 SER 236 THR 237 LYS 238 LEU 239 LYS 240 ALA 241 CYS 242 VAL 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 $human_MIP-1b Human 9606 Eukaryota Metazoa Homo sapiens $rabbitpox_vCCI Poxvirus . Viruses Viridiplantae Orthopox rabbitpox 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 $human_MIP-1b 'recombinant technology' 'E. coli' . . . . $rabbitpox_vCCI 'recombinant technology' 'P. pastoris' . . . . 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 $human_MIP-1b 1 mM '[U-13C; U-15N]' $rabbitpox_vCCI 1 mM '[U-95% 2H; U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_CBCANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CACB _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.05 pH temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'human MIP-1b' _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 ALA HB H 1.501 0.028 . 2 1 1 ALA CB C 18.200 0.12 . 3 2 2 PRO HA H 4.475 0.028 . 4 2 2 PRO HB2 H 1.900 0.028 . 5 2 2 PRO HB3 H 2.312 0.028 . 6 2 2 PRO HG2 H 1.973 0.028 . 7 2 2 PRO HG3 H 2.036 0.028 . 8 2 2 PRO HD2 H 3.582 0.028 . 9 2 2 PRO HD3 H 3.690 0.028 . 10 2 2 PRO CA C 63.0985 0.12 . 11 2 2 PRO CB C 32.0035 0.12 . 12 2 2 PRO CG C 27.507 0.12 . 13 2 2 PRO CD C 50.447 0.12 . 14 3 3 MET H H 8.5273 0.028 . 15 3 3 MET HA H 4.451 0.028 . 16 3 3 MET HB2 H 2.050 0.028 . 17 3 3 MET HB3 H 2.092 0.028 . 18 3 3 MET HG2 H 2.588 0.028 . 19 3 3 MET HG3 H 2.641 0.028 . 20 3 3 MET HE H 2.098 0.028 . 21 3 3 MET CA C 55.8967 0.12 . 22 3 3 MET CB C 33.0430 0.12 . 23 3 3 MET CG C 32.035 0.12 . 24 3 3 MET CE C 17.004 0.12 . 25 3 3 MET N N 121.2883 0.113 . 26 4 4 GLY H H 8.4210 0.028 . 27 4 4 GLY HA2 H 3.996 0.028 . 28 4 4 GLY HA3 H 3.996 0.028 . 29 4 4 GLY CA C 45.4120 0.12 . 30 4 4 GLY N N 110.6100 0.113 . 31 5 5 SER H H 8.0800 0.028 . 32 5 5 SER HA H 4.447 0.028 . 33 5 5 SER HB2 H 3.818 0.028 . 34 5 5 SER HB3 H 3.818 0.028 . 35 5 5 SER CA C 58.2420 0.12 . 36 5 5 SER CB C 64.0040 0.12 . 37 5 5 SER N N 115.1140 0.113 . 38 6 6 ASP H H 8.2080 0.028 . 39 6 6 ASP HA H 4.837 0.028 . 40 6 6 ASP HB2 H 2.363 0.028 . 41 6 6 ASP HB3 H 2.556 0.028 . 42 6 6 ASP CA C 52.7790 0.12 . 43 6 6 ASP CB C 40.5670 0.12 . 44 6 6 ASP N N 122.7560 0.113 . 45 8 8 PRO HA H 4.536 0.028 . 46 8 8 PRO HB2 H 2.016 0.028 . 47 8 8 PRO HB3 H 2.218 0.028 . 48 8 8 PRO HG2 H 2.023 0.028 . 49 8 8 PRO HG3 H 2.023 0.028 . 50 8 8 PRO CA C 63.3290 0.12 . 51 8 8 PRO CB C 32.0220 0.12 . 52 8 8 PRO CG C 26.968 0.12 . 53 9 9 THR H H 7.8390 0.028 . 54 9 9 THR HA H 4.408 0.028 . 55 9 9 THR HB H 4.578 0.028 . 56 9 9 THR HG2 H 1.156 0.028 . 57 9 9 THR CA C 60.8610 0.12 . 58 9 9 THR CB C 69.3060 0.12 . 59 9 9 THR CG2 C 21.868 0.12 . 60 9 9 THR N N 109.7970 0.113 . 61 10 10 ALA H H 7.6090 0.028 . 62 10 10 ALA HA H 5.148 0.028 . 63 10 10 ALA HB H 1.347 0.028 . 64 10 10 ALA CA C 52.0950 0.12 . 65 10 10 ALA CB C 19.6620 0.12 . 66 10 10 ALA N N 124.7880 0.113 . 67 11 11 CYS H H 8.2230 0.028 . 68 11 11 CYS HA H 5.234 0.028 . 69 11 11 CYS HB2 H 2.043 0.028 . 70 11 11 CYS HB3 H 2.997 0.028 . 71 11 11 CYS CA C 51.6360 0.12 . 72 11 11 CYS CB C 40.7930 0.12 . 73 11 11 CYS N N 115.877 0.113 . 74 12 12 CYS H H 9.1890 0.028 . 75 12 12 CYS HA H 5.300 0.028 . 76 12 12 CYS HB2 H 2.391 0.028 . 77 12 12 CYS HB3 H 2.965 0.028 . 78 12 12 CYS CA C 55.6260 0.12 . 79 12 12 CYS CB C 45.3720 0.12 . 80 12 12 CYS N N 119.3210 0.113 . 81 13 13 PHE H H 8.5770 0.028 . 82 13 13 PHE HA H 4.481 0.028 . 83 13 13 PHE HB2 H 3.360 0.028 . 84 13 13 PHE HB3 H 3.360 0.028 . 85 13 13 PHE HD1 H 6.910 0.028 . 86 13 13 PHE HD2 H 6.910 0.028 . 87 13 13 PHE HE1 H 6.670 0.028 . 88 13 13 PHE HE2 H 6.670 0.028 . 89 13 13 PHE CA C 57.4950 0.12 . 90 13 13 PHE CB C 42.9420 0.12 . 91 13 13 PHE CD1 C 131.0000 0.12 . 92 13 13 PHE CE1 C 129.3200 0.12 . 93 13 13 PHE N N 117.7070 0.113 . 94 14 14 SER H H 7.3300 0.028 . 95 14 14 SER HA H 4.124 0.028 . 96 14 14 SER HB2 H 3.639 0.028 . 97 14 14 SER HB3 H 3.757 0.028 . 98 14 14 SER CA C 57.2900 0.12 . 99 14 14 SER CB C 63.1830 0.12 . 100 14 14 SER N N 112.2940 0.113 . 101 15 15 TYR H H 8.3870 0.028 . 102 15 15 TYR HA H 4.943 0.028 . 103 15 15 TYR HB2 H 2.830 0.028 . 104 15 15 TYR HB3 H 3.337 0.028 . 105 15 15 TYR HD1 H 6.890 0.028 . 106 15 15 TYR HD2 H 6.890 0.028 . 107 15 15 TYR HE1 H 6.820 0.028 . 108 15 15 TYR HE2 H 6.820 0.028 . 109 15 15 TYR CA C 55.2900 0.12 . 110 15 15 TYR CB C 41.7520 0.12 . 111 15 15 TYR CD1 C 133.1000 0.12 . 112 15 15 TYR CE1 C 117.4000 0.12 . 113 15 15 TYR N N 123.4350 0.113 . 114 16 16 THR H H 8.3490 0.028 . 115 16 16 THR HA H 4.363 0.028 . 116 16 16 THR HB H 4.417 0.028 . 117 16 16 THR HG2 H 1.646 0.028 . 118 16 16 THR CA C 62.5210 0.12 . 119 16 16 THR CB C 69.0640 0.12 . 120 16 16 THR CG2 C 19.116 0.12 . 121 16 16 THR N N 112.8730 0.113 . 122 17 17 ALA H H 9.4430 0.028 . 123 17 17 ALA HA H 4.710 0.028 . 124 17 17 ALA HB H 1.524 0.028 . 125 17 17 ALA CA C 52.4740 0.12 . 126 17 17 ALA CB C 19.7610 0.12 . 127 17 17 ALA N N 131.9760 0.113 . 128 18 18 ARG H H 8.2200 0.028 . 129 18 18 ARG HA H 4.420 0.028 . 130 18 18 ARG HB2 H 1.553 0.028 . 131 18 18 ARG HB3 H 1.668 0.028 . 132 18 18 ARG HG2 H 1.471 0.028 . 133 18 18 ARG HG3 H 1.471 0.028 . 134 18 18 ARG HD2 H 3.074 0.028 . 135 18 18 ARG HD3 H 3.189 0.028 . 136 18 18 ARG CA C 54.4390 0.12 . 137 18 18 ARG CB C 33.0010 0.12 . 138 18 18 ARG CG C 27.386 0.12 . 139 18 18 ARG CD C 43.310 0.12 . 140 18 18 ARG N N 119.6700 0.113 . 141 19 19 LYS H H 7.7320 0.028 . 142 19 19 LYS HA H 2.252 0.028 . 143 19 19 LYS HB2 H 0.594 0.028 . 144 19 19 LYS HB3 H 0.919 0.028 . 145 19 19 LYS HG2 H -0.132 0.028 . 146 19 19 LYS HG3 H 0.207 0.028 . 147 19 19 LYS HD2 H 1.193 0.028 . 148 19 19 LYS HD3 H 1.283 0.028 . 149 19 19 LYS HE2 H 2.758 0.028 . 150 19 19 LYS HE3 H 2.791 0.028 . 151 19 19 LYS CA C 55.8280 0.12 . 152 19 19 LYS CB C 32.0870 0.12 . 153 19 19 LYS CG C 23.422 0.12 . 154 19 19 LYS CD C 29.572 0.12 . 155 19 19 LYS CE C 41.852 0.12 . 156 19 19 LYS N N 120.5930 0.113 . 157 20 20 LEU H H 5.049 0.028 . 158 20 20 LEU HA H 4.304 0.028 . 159 20 20 LEU HB2 H 1.408 0.028 . 160 20 20 LEU HB3 H 1.408 0.028 . 161 20 20 LEU HG H 1.686 0.028 . 162 20 20 LEU HD1 H 1.051 0.028 . 163 20 20 LEU HD2 H 0.939 0.028 . 164 20 20 LEU CA C 52.507 0.12 . 165 20 20 LEU CB C 43.742 0.12 . 166 20 20 LEU CG C 26.829 0.12 . 167 20 20 LEU CD1 C 25.506 0.12 . 168 20 20 LEU CD2 C 25.805 0.12 . 169 20 20 LEU N N 129.067 0.113 . 170 21 21 PRO HA H 4.110 0.028 . 171 21 21 PRO HB2 H 1.105 0.028 . 172 21 21 PRO HB3 H 1.977 0.028 . 173 21 21 PRO CA C 63.2190 0.12 . 174 21 21 PRO CB C 31.2730 0.12 . 175 22 22 ARG H H 8.3590 0.028 . 176 22 22 ARG HA H 3.459 0.028 . 177 22 22 ARG HB2 H 1.552 0.028 . 178 22 22 ARG HB3 H 1.552 0.028 . 179 22 22 ARG CA C 57.8990 0.12 . 180 22 22 ARG CB C 28.5420 0.12 . 181 22 22 ARG N N 127.0300 0.113 . 182 23 23 ASN H H 8.6710 0.028 . 183 23 23 ASN HA H 4.457 0.028 . 184 23 23 ASN HB2 H 2.696 0.028 . 185 23 23 ASN HB3 H 2.696 0.028 . 186 23 23 ASN CA C 54.6700 0.12 . 187 23 23 ASN CB C 37.0040 0.12 . 188 23 23 ASN N N 113.4150 0.113 . 189 24 24 PHE H H 7.4821 0.028 . 190 24 24 PHE HA H 4.855 0.028 . 191 24 24 PHE HB2 H 3.097 0.028 . 192 24 24 PHE HB3 H 3.429 0.028 . 193 24 24 PHE HD1 H 7.095 0.028 . 194 24 24 PHE HD2 H 7.095 0.028 . 195 24 24 PHE HE1 H 7.260 0.028 . 196 24 24 PHE HE2 H 7.260 0.028 . 197 24 24 PHE CA C 56.0529 0.12 . 198 24 24 PHE CB C 39.0468 0.12 . 199 24 24 PHE N N 116.6377 0.113 . 200 25 25 VAL H H 7.4334 0.028 . 201 25 25 VAL HA H 3.961 0.028 . 202 25 25 VAL HB H 2.068 0.028 . 203 25 25 VAL HG1 H 0.844 0.028 . 204 25 25 VAL HG2 H 1.069 0.028 . 205 25 25 VAL CA C 64.1621 0.12 . 206 25 25 VAL CB C 32.8526 0.12 . 207 25 25 VAL CG1 C 22.371 0.12 . 208 25 25 VAL CG2 C 23.695 0.12 . 209 25 25 VAL N N 118.3007 0.113 . 210 26 26 VAL H H 8.8590 0.028 . 211 26 26 VAL HA H 4.584 0.028 . 212 26 26 VAL HB H 2.192 0.028 . 213 26 26 VAL HG1 H 0.876 0.028 . 214 26 26 VAL HG2 H 0.678 0.028 . 215 26 26 VAL CA C 61.2329 0.12 . 216 26 26 VAL CB C 33.5565 0.12 . 217 26 26 VAL CG1 C 21.151 0.12 . 218 26 26 VAL CG2 C 18.818 0.12 . 219 26 26 VAL N N 119.0764 0.113 . 220 27 27 ASP H H 8.2318 0.028 . 221 27 27 ASP HA H 4.981 0.028 . 222 27 27 ASP HB2 H 2.717 0.028 . 223 27 27 ASP HB3 H 2.819 0.028 . 224 27 27 ASP CA C 53.5463 0.12 . 225 27 27 ASP CB C 43.4975 0.12 . 226 27 27 ASP N N 118.7743 0.113 . 227 28 28 TYR H H 9.5247 0.028 . 228 28 28 TYR HA H 5.873 0.028 . 229 28 28 TYR HB2 H 2.922 0.028 . 230 28 28 TYR HB3 H 2.492 0.028 . 231 28 28 TYR HD1 H 6.7760 0.028 . 232 28 28 TYR HE1 H 6.7200 0.028 . 233 28 28 TYR CA C 56.5261 0.12 . 234 28 28 TYR CB C 42.7351 0.12 . 235 28 28 TYR CD1 C 133.0000 0.12 . 236 28 28 TYR CE1 C 118.2000 0.12 . 237 28 28 TYR N N 119.1694 0.113 . 238 29 29 TYR H H 8.5831 0.028 . 239 29 29 TYR HA H 4.251 0.028 . 240 29 29 TYR HB2 H 2.886 0.028 . 241 29 29 TYR HB3 H 2.886 0.028 . 242 29 29 TYR HD1 H 6.7400 0.028 . 243 29 29 TYR HE1 H 6.4570 0.028 . 244 29 29 TYR CA C 56.8635 0.12 . 245 29 29 TYR CB C 40.0260 0.12 . 246 29 29 TYR CD1 C 134.0000 0.12 . 247 29 29 TYR CE1 C 117.3000 0.12 . 248 29 29 TYR N N 114.8540 0.113 . 249 30 30 GLU H H 8.6517 0.028 . 250 30 30 GLU HA H 5.119 0.028 . 251 30 30 GLU HB2 H 1.983 0.028 . 252 30 30 GLU HB3 H 2.186 0.028 . 253 30 30 GLU HG2 H 2.339 0.028 . 254 30 30 GLU HG3 H 2.371 0.028 . 255 30 30 GLU CA C 54.9777 0.12 . 256 30 30 GLU CB C 32.2517 0.12 . 257 30 30 GLU CG C 37.700 0.12 . 258 30 30 GLU N N 119.3211 0.113 . 259 31 31 THR H H 7.9020 0.028 . 260 31 31 THR HA H 4.470 0.028 . 261 31 31 THR HB H 4.877 0.028 . 262 31 31 THR HG2 H 1.204 0.028 . 263 31 31 THR CA C 62.2392 0.12 . 264 31 31 THR CB C 70.5225 0.12 . 265 31 31 THR CG2 C 23.059 0.12 . 266 31 31 THR N N 111.7390 0.113 . 267 32 32 SER H H 9.0470 0.028 . 268 32 32 SER HA H 4.493 0.028 . 269 32 32 SER HB2 H 3.965 0.028 . 270 32 32 SER HB3 H 4.284 0.028 . 271 32 32 SER CA C 58.2990 0.12 . 272 32 32 SER CB C 64.8500 0.12 . 273 32 32 SER N N 115.2920 0.113 . 274 33 33 SER HA H 4.381 0.028 . 275 33 33 SER HB2 H 4.092 0.028 . 276 33 33 SER HB3 H 4.007 0.028 . 277 33 33 SER CA C 60.6660 0.12 . 278 33 33 SER CB C 62.8580 0.12 . 279 34 34 LEU H H 8.0750 0.028 . 280 34 34 LEU HA H 4.259 0.028 . 281 34 34 LEU HB2 H 1.634 0.028 . 282 34 34 LEU HB3 H 1.634 0.028 . 283 34 34 LEU HG H 1.648 0.028 . 284 34 34 LEU HD1 H 0.870 0.028 . 285 34 34 LEU HD2 H 0.866 0.028 . 286 34 34 LEU CA C 56.2690 0.12 . 287 34 34 LEU CB C 41.9090 0.12 . 288 34 34 LEU CG C 27.315 0.12 . 289 34 34 LEU CD1 C 25.045 0.12 . 290 34 34 LEU CD2 C 23.363 0.12 . 291 34 34 LEU N N 120.5170 0.113 . 292 35 35 CYS H H 7.5770 0.028 . 293 35 35 CYS HA H 4.728 0.028 . 294 35 35 CYS HB2 H 2.772 0.028 . 295 35 35 CYS HB3 H 3.700 0.028 . 296 35 35 CYS CA C 53.9320 0.12 . 297 35 35 CYS CB C 37.7310 0.12 . 298 35 35 CYS N N 118.5510 0.113 . 299 36 36 SER H H 8.6790 0.028 . 300 36 36 SER HA H 4.207 0.028 . 301 36 36 SER HB2 H 4.113 0.028 . 302 36 36 SER HB3 H 4.113 0.028 . 303 36 36 SER CA C 60.9320 0.12 . 304 36 36 SER CB C 63.5290 0.12 . 305 36 36 SER N N 117.9860 0.113 . 306 37 37 GLN H H 8.1150 0.028 . 307 37 37 GLN HA H 4.975 0.028 . 308 37 37 GLN HB2 H 1.914 0.028 . 309 37 37 GLN HB3 H 2.028 0.028 . 310 37 37 GLN HG2 H 2.122 0.028 . 311 37 37 GLN HG3 H 2.288 0.028 . 312 37 37 GLN HE21 H 6.3960 0.028 . 313 37 37 GLN HE22 H 6.2370 0.028 . 314 37 37 GLN CA C 52.4970 0.12 . 315 37 37 GLN CB C 29.7370 0.12 . 316 37 37 GLN CG C 33.317 0.12 . 317 37 37 GLN N N 120.0630 0.113 . 318 37 37 GLN NE2 N 107.3180 0.113 . 319 38 38 PRO HA H 4.590 0.028 . 320 38 38 PRO HB2 H 1.814 0.028 . 321 38 38 PRO HB3 H 2.232 0.028 . 322 38 38 PRO HG2 H 2.006 0.028 . 323 38 38 PRO HG3 H 2.006 0.028 . 324 38 38 PRO HD2 H 3.834 0.028 . 325 38 38 PRO HD3 H 3.834 0.028 . 326 38 38 PRO CA C 62.0990 0.12 . 327 38 38 PRO CB C 32.8310 0.12 . 328 38 38 PRO CG C 27.253 0.12 . 329 38 38 PRO CD C 50.534 0.12 . 330 39 39 ALA H H 8.1250 0.028 . 331 39 39 ALA HA H 4.621 0.028 . 332 39 39 ALA HB H 1.552 0.028 . 333 39 39 ALA CA C 53.4680 0.12 . 334 39 39 ALA CB C 24.3640 0.12 . 335 39 39 ALA N N 120.4190 0.113 . 336 40 40 VAL H H 7.8250 0.028 . 337 40 40 VAL HA H 3.999 0.028 . 338 40 40 VAL HB H 1.122 0.028 . 339 40 40 VAL HG1 H -0.187 0.028 . 340 40 40 VAL HG2 H 0.596 0.028 . 341 40 40 VAL CA C 62.1540 0.12 . 342 40 40 VAL CB C 33.6470 0.12 . 343 40 40 VAL CG1 C 20.969 0.12 . 344 40 40 VAL CG2 C 21.955 0.12 . 345 40 40 VAL N N 121.3990 0.113 . 346 41 41 VAL H H 8.8650 0.028 . 347 41 41 VAL HA H 4.291 0.028 . 348 41 41 VAL HB H 0.385 0.028 . 349 41 41 VAL HG1 H 0.372 0.028 . 350 41 41 VAL HG2 H 0.349 0.028 . 351 41 41 VAL CA C 60.3060 0.12 . 352 41 41 VAL CB C 31.4650 0.12 . 353 41 41 VAL CG1 C 22.565 0.12 . 354 41 41 VAL CG2 C 22.318 0.12 . 355 41 41 VAL N N 127.0090 0.113 . 356 42 42 PHE H H 8.9700 0.028 . 357 42 42 PHE HA H 5.138 0.028 . 358 42 42 PHE HB2 H 3.071 0.028 . 359 42 42 PHE HB3 H 2.776 0.028 . 360 42 42 PHE HD2 H 7.2760 0.028 . 361 42 42 PHE CA C 57.9240 0.12 . 362 42 42 PHE CB C 41.0290 0.12 . 363 42 42 PHE CD1 C 131.6000 0.12 . 364 42 42 PHE N N 123.3600 0.113 . 365 43 43 GLN H H 8.7480 0.028 . 366 43 43 GLN HA H 5.249 0.028 . 367 43 43 GLN HB2 H 1.890 0.028 . 368 43 43 GLN HB3 H 2.058 0.028 . 369 43 43 GLN HG2 H 2.229 0.028 . 370 43 43 GLN HG3 H 2.277 0.028 . 371 43 43 GLN CA C 54.0890 0.12 . 372 43 43 GLN CB C 30.8400 0.12 . 373 43 43 GLN CG C 34.538 0.12 . 374 43 43 GLN N N 121.9430 0.113 . 375 44 44 THR H H 8.4360 0.028 . 376 44 44 THR HA H 5.671 0.028 . 377 44 44 THR HB H 4.731 0.028 . 378 44 44 THR HG2 H 1.046 0.028 . 379 44 44 THR CA C 59.9610 0.12 . 380 44 44 THR CB C 70.8820 0.12 . 381 44 44 THR CG2 C 21.318 0.12 . 382 44 44 THR N N 115.2720 0.113 . 383 45 45 ALA H H 8.7110 0.028 . 384 45 45 ALA HA H 4.060 0.028 . 385 45 45 ALA HB H 1.498 0.028 . 386 45 45 ALA CA C 54.7010 0.12 . 387 45 45 ALA CB C 17.7590 0.12 . 388 45 45 ALA N N 125.8790 0.113 . 389 46 46 ALA H H 8.2720 0.028 . 390 46 46 ALA HA H 4.341 0.028 . 391 46 46 ALA HB H 1.109 0.028 . 392 46 46 ALA CA C 52.0140 0.12 . 393 46 46 ALA CB C 17.7890 0.12 . 394 46 46 ALA N N 120.4530 0.113 . 395 47 47 SER H H 8.0780 0.028 . 396 47 47 SER HA H 3.904 0.028 . 397 47 47 SER HB2 H 4.019 0.028 . 398 47 47 SER HB3 H 4.019 0.028 . 399 47 47 SER CA C 59.9260 0.12 . 400 47 47 SER CB C 61.781 0.12 . 401 47 47 SER N N 111.8340 0.113 . 402 48 48 ALA H H 6.9790 0.028 . 403 48 48 ALA HA H 4.060 0.028 . 404 48 48 ALA HB H 0.744 0.028 . 405 48 48 ALA CA C 51.1250 0.12 . 406 48 48 ALA CB C 20.2620 0.12 . 407 48 48 ALA N N 122.0140 0.113 . 408 49 49 GLN H H 8.1840 0.028 . 409 49 49 GLN HA H 5.160 0.028 . 410 49 49 GLN HB2 H 1.835 0.028 . 411 49 49 GLN HB3 H 1.638 0.028 . 412 49 49 GLN CA C 55.1030 0.12 . 413 49 49 GLN CB C 31.5740 0.12 . 414 49 49 GLN N N 118.5200 0.113 . 415 50 50 VAL H H 9.0050 0.028 . 416 50 50 VAL HA H 4.162 0.028 . 417 50 50 VAL HB H 2.109 0.028 . 418 50 50 VAL HG1 H 1.225 0.028 . 419 50 50 VAL HG2 H 0.969 0.028 . 420 50 50 VAL CA C 61.6270 0.12 . 421 50 50 VAL CB C 35.8810 0.12 . 422 50 50 VAL CG1 C 21.701 0.12 . 423 50 50 VAL CG2 C 20.272 0.12 . 424 50 50 VAL N N 122.8400 0.113 . 425 51 51 CYS H H 9.7580 0.028 . 426 51 51 CYS HA H 4.739 0.028 . 427 51 51 CYS HB2 H 2.737 0.028 . 428 51 51 CYS HB3 H 2.737 0.028 . 429 51 51 CYS CA C 57.4240 0.12 . 430 51 51 CYS CB C 46.6530 0.12 . 431 51 51 CYS N N 124.9820 0.113 . 432 52 52 ALA H H 9.8880 0.028 . 433 52 52 ALA HA H 4.914 0.028 . 434 52 52 ALA HB H 1.237 0.028 . 435 52 52 ALA CA C 50.5190 0.12 . 436 52 52 ALA CB C 24.4080 0.12 . 437 52 52 ALA N N 128.4850 0.113 . 438 53 53 ASP H H 8.1690 0.028 . 439 53 53 ASP HA H 4.893 0.028 . 440 53 53 ASP CA C 52.8630 0.12 . 441 53 53 ASP CB C 41.9240 0.12 . 442 53 53 ASP N N 122.7730 0.113 . 443 54 54 PRO HA H 3.906 0.028 . 444 54 54 PRO HB2 H 1.845 0.028 . 445 54 54 PRO HB3 H 2.135 0.028 . 446 54 54 PRO HG2 H 1.718 0.028 . 447 54 54 PRO HG3 H 1.787 0.028 . 448 54 54 PRO HD2 H 3.620 0.028 . 449 54 54 PRO HD3 H 4.095 0.028 . 450 54 54 PRO CA C 63.4400 0.12 . 451 54 54 PRO CB C 32.3230 0.12 . 452 54 54 PRO CG C 27.078 0.12 . 453 54 54 PRO CD C 50.693 0.12 . 454 55 55 SER H H 8.3780 0.028 . 455 55 55 SER HA H 4.099 0.028 . 456 55 55 SER HB2 H 3.815 0.028 . 457 55 55 SER HB3 H 3.815 0.028 . 458 55 55 SER CA C 59.4360 0.12 . 459 55 55 SER CB C 64.0670 0.12 . 460 55 55 SER N N 111.8480 0.113 . 461 56 56 GLU H H 7.5290 0.028 . 462 56 56 GLU HA H 4.187 0.028 . 463 56 56 GLU HB2 H 1.664 0.028 . 464 56 56 GLU HB3 H 1.773 0.028 . 465 56 56 GLU HG2 H 2.104 0.028 . 466 56 56 GLU HG3 H 2.249 0.028 . 467 56 56 GLU CA C 56.2080 0.12 . 468 56 56 GLU CB C 30.4640 0.12 . 469 56 56 GLU CG C 36.873 0.12 . 470 56 56 GLU N N 123.0430 0.113 . 471 57 57 SER H H 8.8200 0.028 . 472 57 57 SER HA H 3.989 0.028 . 473 57 57 SER HB2 H 3.989 0.028 . 474 57 57 SER HB3 H 3.989 0.028 . 475 57 57 SER CA C 62.268 0.12 . 476 57 57 SER CB C 62.2680 0.12 . 477 57 57 SER N N 120.4770 0.113 . 478 58 58 TRP H H 8.1530 0.028 . 479 58 58 TRP HA H 4.343 0.028 . 480 58 58 TRP HB2 H 2.9900 0.028 . 481 58 58 TRP HB3 H 3.0800 0.028 . 482 58 58 TRP HD1 H 7.5360 0.028 . 483 58 58 TRP HE1 H 10.2300 0.028 . 484 58 58 TRP HE3 H 5.7970 0.028 . 485 58 58 TRP HZ2 H 7.3640 0.028 . 486 58 58 TRP HZ3 H 6.2800 0.028 . 487 58 58 TRP HH2 H 6.7740 0.028 . 488 58 58 TRP CA C 59.1940 0.12 . 489 58 58 TRP CB C 26.9200 0.12 . 490 58 58 TRP CD1 C 128.3000 0.12 . 491 58 58 TRP CE3 C 121.5000 0.12 . 492 58 58 TRP CZ2 C 115.9400 0.12 . 493 58 58 TRP CZ3 C 121.9000 0.12 . 494 58 58 TRP CH2 C 122.4000 0.12 . 495 58 58 TRP N N 119.5500 0.113 . 496 58 58 TRP NE1 N 130.3610 0.113 . 497 59 59 VAL H H 5.5950 0.028 . 498 59 59 VAL HA H 2.656 0.028 . 499 59 59 VAL HB H 1.723 0.028 . 500 59 59 VAL HG1 H 0.373 0.028 . 501 59 59 VAL HG2 H -0.708 0.028 . 502 59 59 VAL CA C 65.7730 0.12 . 503 59 59 VAL CB C 30.9260 0.12 . 504 59 59 VAL CG1 C 20.371 0.12 . 505 59 59 VAL CG2 C 22.139 0.12 . 506 59 59 VAL N N 122.4190 0.113 . 507 60 60 GLN H H 6.9330 0.028 . 508 60 60 GLN HA H 3.756 0.028 . 509 60 60 GLN HB2 H 1.976 0.028 . 510 60 60 GLN HB3 H 2.044 0.028 . 511 60 60 GLN HG2 H 2.369 0.028 . 512 60 60 GLN HG3 H 2.369 0.028 . 513 60 60 GLN CA C 58.2740 0.12 . 514 60 60 GLN CB C 27.7960 0.12 . 515 60 60 GLN CG C 33.422 0.12 . 516 60 60 GLN N N 116.1850 0.113 . 517 61 61 GLU H H 8.2090 0.028 . 518 61 61 GLU HA H 4.071 0.028 . 519 61 61 GLU HB2 H 2.314 0.028 . 520 61 61 GLU HB3 H 2.314 0.028 . 521 61 61 GLU HG2 H 2.310 0.028 . 522 61 61 GLU HG3 H 2.528 0.028 . 523 61 61 GLU CA C 59.4280 0.12 . 524 61 61 GLU CB C 29.5110 0.12 . 525 61 61 GLU CG C 36.514 0.12 . 526 61 61 GLU N N 119.6170 0.113 . 527 62 62 TYR H H 8.6640 0.028 . 528 62 62 TYR HA H 4.410 0.028 . 529 62 62 TYR HB2 H 3.570 0.028 . 530 62 62 TYR HB3 H 2.773 0.028 . 531 62 62 TYR HD1 H 6.7360 0.028 . 532 62 62 TYR HE1 H 6.7120 0.028 . 533 62 62 TYR CA C 59.6930 0.12 . 534 62 62 TYR CB C 37.4550 0.12 . 535 62 62 TYR CD1 C 130.6000 0.12 . 536 62 62 TYR CE1 C 117.3000 0.12 . 537 62 62 TYR N N 122.1140 0.113 . 538 63 63 VAL H H 8.1770 0.028 . 539 63 63 VAL HA H 3.090 0.028 . 540 63 63 VAL HB H 1.803 0.028 . 541 63 63 VAL HG1 H 0.416 0.028 . 542 63 63 VAL HG2 H 0.474 0.028 . 543 63 63 VAL CA C 67.4060 0.12 . 544 63 63 VAL CB C 31.5740 0.12 . 545 63 63 VAL CG1 C 22.869 0.12 . 546 63 63 VAL CG2 C 20.768 0.12 . 547 63 63 VAL N N 118.7630 0.113 . 548 64 64 TYR H H 7.7770 0.028 . 549 64 64 TYR HA H 4.169 0.028 . 550 64 64 TYR HB2 H 3.111 0.028 . 551 64 64 TYR HB3 H 3.185 0.028 . 552 64 64 TYR HD1 H 7.1970 0.028 . 553 64 64 TYR HE1 H 6.8170 0.028 . 554 64 64 TYR CA C 60.9580 0.12 . 555 64 64 TYR CB C 38.0920 0.12 . 556 64 64 TYR CD1 C 133.5000 0.12 . 557 64 64 TYR CE1 C 118.2000 0.12 . 558 64 64 TYR N N 117.6540 0.113 . 559 65 65 ASP H H 7.9520 0.028 . 560 65 65 ASP HA H 4.419 0.028 . 561 65 65 ASP HB2 H 2.725 0.028 . 562 65 65 ASP HB3 H 2.913 0.028 . 563 65 65 ASP CA C 57.4360 0.12 . 564 65 65 ASP CB C 42.9580 0.12 . 565 65 65 ASP N N 118.3930 0.113 . 566 66 66 LEU H H 8.4450 0.028 . 567 66 66 LEU HA H 4.099 0.028 . 568 66 66 LEU HB2 H 1.738 0.028 . 569 66 66 LEU HB3 H 2.061 0.028 . 570 66 66 LEU HG H 1.798 0.028 . 571 66 66 LEU HD1 H 0.950 0.028 . 572 66 66 LEU CA C 57.2640 0.12 . 573 66 66 LEU CB C 42.7040 0.12 . 574 66 66 LEU CG C 27.585 0.12 . 575 66 66 LEU CD1 C 26.959 0.12 . 576 66 66 LEU N N 119.5930 0.113 . 577 67 67 GLU H H 7.9050 0.028 . 578 67 67 GLU HA H 4.319 0.028 . 579 67 67 GLU HB2 H 2.057 0.028 . 580 67 67 GLU HB3 H 2.149 0.028 . 581 67 67 GLU HG2 H 2.455 0.028 . 582 67 67 GLU HG3 H 2.499 0.028 . 583 67 67 GLU CA C 57.4360 0.12 . 584 67 67 GLU CB C 30.1490 0.12 . 585 67 67 GLU CG C 36.302 0.12 . 586 67 67 GLU N N 118.2670 0.113 . 587 68 68 LEU H H 7.5720 0.028 . 588 68 68 LEU HA H 4.243 0.028 . 589 68 68 LEU HB2 H 1.569 0.028 . 590 68 68 LEU HB3 H 1.667 0.028 . 591 68 68 LEU HG H 1.664 0.028 . 592 68 68 LEU HD1 H 0.817 0.028 . 593 68 68 LEU CA C 55.8060 0.12 . 594 68 68 LEU CB C 42.5310 0.12 . 595 68 68 LEU CG C 26.594 0.12 . 596 68 68 LEU CD1 C 23.539 0.12 . 597 68 68 LEU N N 120.9570 0.113 . 598 69 69 ASN H H 7.6670 0.028 . 599 69 69 ASN CA C 54.9240 0.12 . 600 69 69 ASN CB C 41.0150 0.12 . 601 69 69 ASN N N 124.0200 0.113 . stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'rabbitpox vCCI' _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 17 17 GLU H H 8.4772 0.011 . 2 17 17 GLU C C 176.464 0.325 . 3 17 17 GLU CA C 55.8785 0.325 . 4 17 17 GLU CB C 29.4452 0.325 . 5 17 17 GLU N N 123.7010 0.113 . 6 18 18 GLU H H 8.2705 0.011 . 7 18 18 GLU C C 176.401 0.325 . 8 18 18 GLU CA C 56.061 0.325 . 9 18 18 GLU CB C 30.0149 0.325 . 10 18 18 GLU N N 121.9503 0.113 . 11 19 19 GLU H H 8.4774 0.011 . 12 19 19 GLU C C 172.990 0.325 . 13 19 19 GLU CA C 57.201 0.325 . 14 19 19 GLU CB C 29.399 0.325 . 15 19 19 GLU N N 122.5482 0.113 . 16 20 20 ASN H H 8.6478 0.011 . 17 20 20 ASN C C 173.870 0.325 . 18 20 20 ASN CA C 53.550 0.325 . 19 20 20 ASN CB C 37.888 0.325 . 20 20 20 ASN N N 116.2207 0.113 . 21 21 21 LYS H H 7.1588 0.011 . 22 21 21 LYS C C 175.273 0.325 . 23 21 21 LYS CA C 54.3963 0.325 . 24 21 21 LYS CB C 34.855 0.325 . 25 21 21 LYS N N 116.3596 0.113 . 26 22 22 HIS H H 9.2475 0.011 . 27 22 22 HIS C C 175.137 0.325 . 28 22 22 HIS CA C 54.573 0.325 . 29 22 22 HIS CB C 32.1460 0.325 . 30 22 22 HIS N N 116.7666 0.113 . 31 23 23 HIS H H 9.9487 0.011 . 32 23 23 HIS C C 174.437 0.325 . 33 23 23 HIS CA C 54.636 0.325 . 34 23 23 HIS CB C 26.4697 0.325 . 35 23 23 HIS N N 127.9639 0.113 . 36 24 24 MET H H 7.8325 0.011 . 37 24 24 MET C C 176.539 0.325 . 38 24 24 MET CA C 52.802 0.325 . 39 24 24 MET CB C 29.345 0.325 . 40 24 24 MET N N 121.4663 0.113 . 41 25 25 GLY H H 9.5646 0.011 . 42 25 25 GLY C C 169.811 0.325 . 43 25 25 GLY CA C 42.74 0.325 . 44 25 25 GLY N N 109.5229 0.113 . 45 26 26 ILE H H 8.2662 0.011 . 46 26 26 ILE C C 172.390 0.325 . 47 26 26 ILE CA C 56.8748 0.325 . 48 26 26 ILE CB C 42.165 0.325 . 49 26 26 ILE N N 115.2975 0.113 . 50 27 27 ASP H H 8.8485 0.011 . 51 27 27 ASP C C 173.635 0.325 . 52 27 27 ASP CA C 54.233 0.325 . 53 27 27 ASP CB C 45.1676 0.325 . 54 27 27 ASP N N 127.0619 0.113 . 55 28 28 VAL H H 9.4421 0.011 . 56 28 28 VAL N N 128.4793 0.113 . 57 30 30 ILE H H 8.777 0.011 . 58 30 30 ILE C C 170.920 0.325 . 59 30 30 ILE CA C 58.869 0.325 . 60 30 30 ILE CB C 42.335 0.325 . 61 30 30 ILE N N 120.386 0.113 . 62 31 31 LYS H H 9.0110 0.011 . 63 31 31 LYS C C 176.217 0.325 . 64 31 31 LYS CA C 54.978 0.325 . 65 31 31 LYS CB C 36.074 0.325 . 66 31 31 LYS N N 127.0718 0.113 . 67 32 32 VAL H H 9.7599 0.011 . 68 32 32 VAL C C 175.007 0.325 . 69 32 32 VAL N N 130.0904 0.113 . 70 33 33 THR H H 9.0244 0.011 . 71 33 33 THR C C 174.789 0.325 . 72 33 33 THR CA C 61.7372 0.325 . 73 33 33 THR CB C 68.7893 0.325 . 74 33 33 THR N N 123.6228 0.113 . 75 34 34 LYS H H 9.1496 0.011 . 76 34 34 LYS C C 176.183 0.325 . 77 34 34 LYS CA C 56.3639 0.325 . 78 34 34 LYS CB C 32.2347 0.325 . 79 34 34 LYS N N 128.3265 0.113 . 80 35 35 GLN H H 7.3971 0.011 . 81 35 35 GLN C C 176.421 0.325 . 82 35 35 GLN CA C 55.888 0.325 . 83 35 35 GLN CB C 27.3182 0.325 . 84 35 35 GLN N N 116.2795 0.113 . 85 36 36 ASP H H 8.7181 0.011 . 86 36 36 ASP C C 171.654 0.325 . 87 36 36 ASP CA C 55.574 0.325 . 88 36 36 ASP CB C 40.1024 0.325 . 89 36 36 ASP N N 122.4009 0.113 . 90 37 37 GLN H H 7.7876 0.011 . 91 37 37 GLN C C 174.193 0.325 . 92 37 37 GLN CA C 55.203 0.325 . 93 37 37 GLN CB C 31.272 0.325 . 94 37 37 GLN N N 121.9198 0.113 . 95 38 38 THR H H 8.3128 0.011 . 96 38 38 THR CA C 58.398 0.325 . 97 38 38 THR CB C 70.607 0.325 . 98 38 38 THR N N 117.2693 0.113 . 99 40 40 THR H H 8.3759 0.011 . 100 40 40 THR C C 173.812 0.325 . 101 40 40 THR CA C 62.2130 0.325 . 102 40 40 THR CB C 69.0553 0.325 . 103 40 40 THR N N 114.8970 0.113 . 104 41 41 ASN H H 8.394 0.011 . 105 41 41 ASN C C 173.047 0.325 . 106 41 41 ASN CA C 53.687 0.325 . 107 41 41 ASN CB C 38.381 0.325 . 108 41 41 ASN N N 123.632 0.113 . 109 42 42 ASP H H 8.2946 0.011 . 110 42 42 ASP C C 177.020 0.325 . 111 42 42 ASP CA C 51.9358 0.325 . 112 42 42 ASP CB C 40.2930 0.325 . 113 42 42 ASP N N 122.6210 0.113 . 114 43 43 LYS H H 8.2959 0.011 . 115 43 43 LYS C C 176.756 0.325 . 116 43 43 LYS CA C 56.004 0.325 . 117 43 43 LYS CB C 29.957 0.325 . 118 43 43 LYS N N 121.2271 0.113 . 119 44 44 ILE H H 7.5065 0.011 . 120 44 44 ILE C C 176.428 0.325 . 121 44 44 ILE CA C 60.2073 0.325 . 122 44 44 ILE CB C 38.7746 0.325 . 123 44 44 ILE N N 115.5853 0.113 . 124 45 45 CYS H H 8.6911 0.011 . 125 45 45 CYS C C 175.723 0.325 . 126 45 45 CYS CA C 52.584 0.325 . 127 45 45 CYS CB C 34.458 0.325 . 128 45 45 CYS N N 109.6962 0.113 . 129 46 46 GLN H H 9.0894 0.011 . 130 46 46 GLN C C 177.761 0.325 . 131 46 46 GLN CA C 59.737 0.325 . 132 46 46 GLN CB C 28.521 0.325 . 133 46 46 GLN N N 119.7933 0.113 . 134 47 47 SER H H 7.6621 0.011 . 135 47 47 SER C C 172.834 0.325 . 136 47 47 SER CA C 58.2220 0.325 . 137 47 47 SER CB C 64.2935 0.325 . 138 47 47 SER N N 108.6086 0.113 . 139 48 48 VAL H H 8.4310 0.011 . 140 48 48 VAL C C 175.627 0.325 . 141 48 48 VAL CA C 61.0005 0.325 . 142 48 48 VAL CB C 34.0859 0.325 . 143 48 48 VAL N N 124.7000 0.113 . 144 49 49 THR H H 8.7091 0.011 . 145 49 49 THR C C 176.544 0.325 . 146 49 49 THR CA C 60.490 0.325 . 147 49 49 THR CB C 71.467 0.325 . 148 49 49 THR N N 120.1580 0.113 . 149 50 50 GLU H H 8.4857 0.011 . 150 50 50 GLU C C 175.011 0.325 . 151 50 50 GLU CA C 54.103 0.325 . 152 50 50 GLU CB C 32.001 0.325 . 153 50 50 GLU N N 125.3885 0.113 . 154 51 51 ILE H H 8.9360 0.011 . 155 51 51 ILE C C 173.848 0.325 . 156 51 51 ILE CA C 59.9726 0.325 . 157 51 51 ILE CB C 41.3623 0.325 . 158 51 51 ILE N N 126.4737 0.113 . 159 52 52 THR H H 8.4675 0.011 . 160 52 52 THR C C 173.838 0.325 . 161 52 52 THR CA C 60.871 0.325 . 162 52 52 THR CB C 69.9709 0.325 . 163 52 52 THR N N 120.7241 0.113 . 164 53 53 GLU H H 8.748 0.011 . 165 53 53 GLU C C 174.309 0.325 . 166 53 53 GLU CA C 55.9512 0.325 . 167 53 53 GLU CB C 29.7614 0.325 . 168 53 53 GLU N N 127.524 0.113 . 169 54 54 SER H H 8.0463 0.011 . 170 54 54 SER C C 173.940 0.325 . 171 54 54 SER CA C 57.1573 0.325 . 172 54 54 SER CB C 64.8258 0.325 . 173 54 54 SER N N 117.5771 0.113 . 174 55 55 GLU H H 8.858 0.011 . 175 55 55 GLU C C 176.470 0.325 . 176 55 55 GLU CA C 56.444 0.325 . 177 55 55 GLU CB C 29.8328 0.325 . 178 55 55 GLU N N 122.977 0.113 . 179 56 56 SER H H 8.3421 0.011 . 180 56 56 SER C C 173.812 0.325 . 181 56 56 SER CA C 57.913 0.325 . 182 56 56 SER CB C 63.761 0.325 . 183 56 56 SER N N 116.7604 0.113 . 184 57 57 ASP H H 8.3942 0.011 . 185 57 57 ASP CA C 52.428 0.325 . 186 57 57 ASP CB C 40.474 0.325 . 187 57 57 ASP N N 123.6324 0.113 . 188 59 59 ASP H H 8.3637 0.011 . 189 59 59 ASP CA C 51.990 0.325 . 190 59 59 ASP CB C 40.802 0.325 . 191 59 59 ASP N N 121.7651 0.113 . 192 61 61 GLU H H 8.4445 0.011 . 193 61 61 GLU C C 176.665 0.325 . 194 61 61 GLU CA C 56.4354 0.325 . 195 61 61 GLU CB C 29.1987 0.325 . 196 61 61 GLU N N 119.3849 0.113 . 197 62 62 VAL H H 7.7475 0.011 . 198 62 62 VAL C C 175.969 0.325 . 199 62 62 VAL CA C 61.7157 0.325 . 200 62 62 VAL CB C 32.2348 0.325 . 201 62 62 VAL N N 119.4117 0.113 . 202 63 63 GLU H H 8.3856 0.011 . 203 63 63 GLU C C 176.326 0.325 . 204 63 63 GLU CA C 56.232 0.325 . 205 63 63 GLU CB C 29.596 0.325 . 206 63 63 GLU N N 124.3502 0.113 . 207 64 64 SER H H 8.2522 0.011 . 208 64 64 SER C C 174.608 0.325 . 209 64 64 SER CA C 57.7238 0.325 . 210 64 64 SER CB C 63.858 0.325 . 211 64 64 SER N N 116.7822 0.113 . 212 65 65 GLU H H 8.5110 0.011 . 213 65 65 GLU C C 176.270 0.325 . 214 65 65 GLU CA C 56.406 0.325 . 215 65 65 GLU CB C 29.494 0.325 . 216 65 65 GLU N N 122.8446 0.113 . 217 66 66 ASP H H 8.2120 0.011 . 218 66 66 ASP C C 175.967 0.325 . 219 66 66 ASP CA C 54.155 0.325 . 220 66 66 ASP CB C 41.056 0.325 . 221 66 66 ASP N N 120.4522 0.113 . 222 67 67 ASP H H 8.2365 0.011 . 223 67 67 ASP C C 176.615 0.325 . 224 67 67 ASP CA C 54.0956 0.325 . 225 67 67 ASP CB C 40.724 0.325 . 226 67 67 ASP N N 120.8361 0.113 . 227 68 68 SER H H 8.3040 0.011 . 228 68 68 SER C C 175.042 0.325 . 229 68 68 SER CA C 58.663 0.325 . 230 68 68 SER CB C 63.488 0.325 . 231 68 68 SER N N 116.1157 0.113 . 232 69 69 THR H H 8.1235 0.011 . 233 69 69 THR C C 174.670 0.325 . 234 69 69 THR CA C 61.8696 0.325 . 235 69 69 THR CB C 69.1982 0.325 . 236 69 69 THR N N 115.4643 0.113 . 237 70 70 SER H H 8.2450 0.011 . 238 70 70 SER C C 174.581 0.325 . 239 70 70 SER CA C 57.8596 0.325 . 240 70 70 SER CB C 63.530 0.325 . 241 70 70 SER N N 118.4007 0.113 . 242 71 71 VAL H H 8.1144 0.011 . 243 71 71 VAL C C 176.133 0.325 . 244 71 71 VAL CA C 61.906 0.325 . 245 71 71 VAL CB C 31.866 0.325 . 246 71 71 VAL N N 121.4130 0.113 . 247 72 72 GLU H H 8.2878 0.011 . 248 72 72 GLU C C 176.017 0.325 . 249 72 72 GLU CA C 56.1477 0.325 . 250 72 72 GLU CB C 29.8051 0.325 . 251 72 72 GLU N N 123.2380 0.113 . 252 73 73 ASP H H 8.2264 0.011 . 253 73 73 ASP C C 175.738 0.325 . 254 73 73 ASP CA C 54.025 0.325 . 255 73 73 ASP CB C 40.727 0.325 . 256 73 73 ASP N N 121.2519 0.113 . 257 74 74 VAL H H 7.8492 0.011 . 258 74 74 VAL C C 174.943 0.325 . 259 74 74 VAL CA C 61.180 0.325 . 260 74 74 VAL CB C 32.507 0.325 . 261 74 74 VAL N N 119.0652 0.113 . 262 75 75 ASP H H 8.3659 0.011 . 263 75 75 ASP CA C 61.182 0.325 . 264 75 75 ASP CB C 40.318 0.325 . 265 75 75 ASP N N 124.9996 0.113 . 266 78 78 THR H H 8.1177 0.011 . 267 78 78 THR C C 173.246 0.325 . 268 78 78 THR CA C 62.398 0.325 . 269 78 78 THR CB C 70.611 0.325 . 270 78 78 THR N N 118.3739 0.113 . 271 79 79 THR H H 8.4481 0.011 . 272 79 79 THR C C 172.345 0.325 . 273 79 79 THR CA C 62.163 0.325 . 274 79 79 THR CB C 70.375 0.325 . 275 79 79 THR N N 123.2056 0.113 . 276 80 80 TYR H H 9.4095 0.011 . 277 80 80 TYR C C 175.556 0.325 . 278 80 80 TYR CA C 56.1117 0.325 . 279 80 80 TYR CB C 40.3217 0.325 . 280 80 80 TYR N N 124.8459 0.113 . 281 81 81 TYR H H 9.4257 0.011 . 282 81 81 TYR C C 175.311 0.325 . 283 81 81 TYR CA C 56.878 0.325 . 284 81 81 TYR CB C 41.431 0.325 . 285 81 81 TYR N N 119.3582 0.113 . 286 82 82 SER H H 8.9513 0.011 . 287 82 82 SER C C 175.136 0.325 . 288 82 82 SER CA C 56.0344 0.325 . 289 82 82 SER CB C 64.0842 0.325 . 290 82 82 SER N N 117.3608 0.113 . 291 83 83 ILE H H 9.611 0.011 . 292 83 83 ILE C C 176.746 0.325 . 293 83 83 ILE CA C 60.314 0.325 . 294 83 83 ILE CB C 39.846 0.325 . 295 83 83 ILE N N 126.596 0.113 . 296 84 84 ILE H H 9.360 0.011 . 297 84 84 ILE C C 175.302 0.325 . 298 84 84 ILE CA C 60.419 0.325 . 299 84 84 ILE CB C 37.3660 0.325 . 300 84 84 ILE N N 132.999 0.113 . 301 85 85 GLY H H 8.757 0.011 . 302 85 85 GLY C C 176.133 0.325 . 303 85 85 GLY CA C 45.8266 0.325 . 304 85 85 GLY N N 116.161 0.113 . 305 86 86 GLY H H 8.2698 0.011 . 306 86 86 GLY C C 174.314 0.325 . 307 86 86 GLY CA C 46.035 0.325 . 308 86 86 GLY N N 112.1875 0.113 . 309 87 87 GLY H H 8.654 0.011 . 310 87 87 GLY C C 174.382 0.325 . 311 87 87 GLY CA C 44.659 0.325 . 312 87 87 GLY N N 107.022 0.113 . 313 88 88 LEU H H 7.6049 0.011 . 314 88 88 LEU C C 173.790 0.325 . 315 88 88 LEU CA C 52.5020 0.325 . 316 88 88 LEU CB C 45.6223 0.325 . 317 88 88 LEU N N 119.2881 0.113 . 318 89 89 ARG H H 8.613 0.011 . 319 89 89 ARG C C 172.566 0.325 . 320 89 89 ARG CA C 54.823 0.325 . 321 89 89 ARG CB C 30.029 0.325 . 322 89 89 ARG N N 122.099 0.113 . 323 90 90 MET H H 8.797 0.011 . 324 90 90 MET CA C 54.861 0.325 . 325 90 90 MET CB C 35.098 0.325 . 326 90 90 MET N N 125.433 0.113 . 327 91 91 ASN H H 9.0244 0.011 . 328 91 91 ASN C C 174.467 0.325 . 329 91 91 ASN CA C 51.358 0.325 . 330 91 91 ASN CB C 40.186 0.325 . 331 91 91 ASN N N 123.6228 0.113 . 332 92 92 PHE H H 9.3895 0.011 . 333 92 92 PHE C C 174.581 0.325 . 334 92 92 PHE CA C 55.959 0.325 . 335 92 92 PHE CB C 42.992 0.325 . 336 92 92 PHE N N 124.4245 0.113 . 337 93 93 GLY H H 8.652 0.011 . 338 93 93 GLY C C 172.194 0.325 . 339 93 93 GLY CA C 44.624 0.325 . 340 93 93 GLY N N 110.572 0.113 . 341 94 94 PHE H H 8.8727 0.011 . 342 94 94 PHE C C 175.471 0.325 . 343 94 94 PHE CA C 57.1436 0.325 . 344 94 94 PHE CB C 42.4735 0.325 . 345 94 94 PHE N N 120.2636 0.113 . 346 95 95 THR H H 8.7522 0.011 . 347 95 95 THR C C 171.563 0.325 . 348 95 95 THR CA C 61.8216 0.325 . 349 95 95 THR CB C 69.9100 0.325 . 350 95 95 THR N N 123.4455 0.113 . 351 96 96 LYS H H 9.3386 0.011 . 352 96 96 LYS C C 174.169 0.325 . 353 96 96 LYS CA C 57.254 0.325 . 354 96 96 LYS CB C 27.7490 0.325 . 355 96 96 LYS N N 121.0152 0.113 . 356 97 97 CYS H H 7.9481 0.011 . 357 97 97 CYS CA C 53.5132 0.325 . 358 97 97 CYS CB C 43.890 0.325 . 359 97 97 CYS N N 113.0842 0.113 . 360 99 99 GLN H H 8.2069 0.011 . 361 99 99 GLN C C 176.217 0.325 . 362 99 99 GLN CA C 56.074 0.325 . 363 99 99 GLN CB C 28.9396 0.325 . 364 99 99 GLN N N 116.9809 0.113 . 365 100 100 ILE H H 8.1148 0.011 . 366 100 100 ILE C C 175.518 0.325 . 367 100 100 ILE CA C 58.2494 0.325 . 368 100 100 ILE CB C 35.4674 0.325 . 369 100 100 ILE N N 124.3754 0.113 . 370 101 101 LYS H H 8.0003 0.011 . 371 101 101 LYS C C 174.377 0.325 . 372 101 101 LYS CA C 54.2026 0.325 . 373 101 101 LYS CB C 36.1026 0.325 . 374 101 101 LYS N N 122.5799 0.113 . 375 102 102 SER H H 7.9511 0.011 . 376 102 102 SER C C 173.651 0.325 . 377 102 102 SER CA C 56.2213 0.325 . 378 102 102 SER CB C 63.4292 0.325 . 379 102 102 SER N N 115.1674 0.113 . 380 103 103 ILE H H 8.1830 0.011 . 381 103 103 ILE C C 174.018 0.325 . 382 103 103 ILE CA C 61.3513 0.325 . 383 103 103 ILE CB C 40.7572 0.325 . 384 103 103 ILE N N 126.6591 0.113 . 385 104 104 SER H H 9.1171 0.011 . 386 104 104 SER C C 176.508 0.325 . 387 104 104 SER CA C 57.5765 0.325 . 388 104 104 SER CB C 66.7729 0.325 . 389 104 104 SER N N 123.6521 0.113 . 390 105 105 GLU H H 8.6478 0.011 . 391 105 105 GLU C C 174.707 0.325 . 392 105 105 GLU CA C 54.911 0.325 . 393 105 105 GLU CB C 35.364 0.325 . 394 105 105 GLU N N 116.2207 0.113 . 395 106 106 SER H H 9.0981 0.011 . 396 106 106 SER C C 171.790 0.325 . 397 106 106 SER CA C 57.8282 0.325 . 398 106 106 SER CB C 66.5891 0.325 . 399 106 106 SER N N 113.9075 0.113 . 400 107 107 ALA H H 8.8157 0.011 . 401 107 107 ALA C C 176.104 0.325 . 402 107 107 ALA CA C 51.5106 0.325 . 403 107 107 ALA CB C 21.2273 0.325 . 404 107 107 ALA N N 121.8496 0.113 . 405 108 108 ASP H H 8.2926 0.011 . 406 108 108 ASP CA C 53.4460 0.325 . 407 108 108 ASP CB C 42.5741 0.325 . 408 108 108 ASP N N 120.5204 0.113 . 409 111 111 THR H H 8.288 0.011 . 410 111 111 THR C C 174.193 0.325 . 411 111 111 THR CA C 61.045 0.325 . 412 111 111 THR CB C 71.060 0.325 . 413 111 111 THR N N 114.705 0.113 . 414 112 112 VAL H H 9.260 0.011 . 415 112 112 VAL C C 173.326 0.325 . 416 112 112 VAL CA C 61.369 0.325 . 417 112 112 VAL CB C 34.289 0.325 . 418 112 112 VAL N N 125.966 0.113 . 419 113 113 ASN H H 9.1996 0.011 . 420 113 113 ASN C C 174.433 0.325 . 421 113 113 ASN CA C 50.6406 0.325 . 422 113 113 ASN CB C 41.408 0.325 . 423 113 113 ASN N N 124.9551 0.113 . 424 114 114 ALA H H 9.062 0.011 . 425 114 114 ALA C C 174.405 0.325 . 426 114 114 ALA CA C 50.996 0.325 . 427 114 114 ALA CB C 22.343 0.325 . 428 114 114 ALA N N 119.799 0.113 . 429 115 115 ARG H H 8.324 0.011 . 430 115 115 ARG C C 175.136 0.325 . 431 115 115 ARG CA C 54.422 0.325 . 432 115 115 ARG CB C 34.107 0.325 . 433 115 115 ARG N N 118.329 0.113 . 434 116 116 LEU H H 9.1133 0.011 . 435 116 116 LEU C C 175.133 0.325 . 436 116 116 LEU CA C 54.5865 0.325 . 437 116 116 LEU CB C 43.2755 0.325 . 438 116 116 LEU N N 129.1430 0.113 . 439 117 117 SER H H 9.3940 0.011 . 440 117 117 SER C C 176.078 0.325 . 441 117 117 SER CA C 57.4654 0.325 . 442 117 117 SER CB C 70.0237 0.325 . 443 117 117 SER N N 115.3913 0.113 . 444 118 118 SER H H 8.8745 0.011 . 445 118 118 SER C C 171.288 0.325 . 446 118 118 SER CA C 58.5145 0.325 . 447 118 118 SER CB C 63.6756 0.325 . 448 118 118 SER N N 118.0411 0.113 . 449 119 119 VAL H H 8.0572 0.011 . 450 119 119 VAL C C 174.734 0.325 . 451 119 119 VAL CA C 59.9343 0.325 . 452 119 119 VAL CB C 33.6890 0.325 . 453 119 119 VAL N N 119.2793 0.113 . 454 120 120 SER H H 8.4481 0.011 . 455 120 120 SER CA C 57.655 0.325 . 456 120 120 SER CB C 61.791 0.325 . 457 120 120 SER N N 123.2056 0.113 . 458 122 122 GLY H H 8.7581 0.011 . 459 122 122 GLY C C 175.434 0.325 . 460 122 122 GLY CA C 45.2536 0.325 . 461 122 122 GLY N N 108.9700 0.113 . 462 123 123 GLN H H 8.5035 0.011 . 463 123 123 GLN C C 175.868 0.325 . 464 123 123 GLN CA C 54.5999 0.325 . 465 123 123 GLN CB C 30.4626 0.325 . 466 123 123 GLN N N 118.1177 0.113 . 467 124 124 GLY H H 8.5017 0.011 . 468 124 124 GLY C C 173.900 0.325 . 469 124 124 GLY CA C 45.1914 0.325 . 470 124 124 GLY N N 107.6244 0.113 . 471 125 125 LYS H H 7.4052 0.011 . 472 125 125 LYS CA C 52.9633 0.325 . 473 125 125 LYS CB C 32.9762 0.325 . 474 125 125 LYS N N 117.7862 0.113 . 475 127 127 SER H H 8.4126 0.011 . 476 127 127 SER CA C 55.258 0.325 . 477 127 127 SER CB C 63.713 0.325 . 478 127 127 SER N N 116.3866 0.113 . 479 129 129 ALA H H 8.486 0.011 . 480 129 129 ALA C C 176.895 0.325 . 481 129 129 ALA CA C 50.390 0.325 . 482 129 129 ALA CB C 18.320 0.325 . 483 129 129 ALA N N 125.388 0.113 . 484 130 130 ILE H H 8.5207 0.011 . 485 130 130 ILE C C 175.925 0.325 . 486 130 130 ILE CA C 59.2364 0.325 . 487 130 130 ILE CB C 39.5720 0.325 . 488 130 130 ILE N N 115.4118 0.113 . 489 131 131 THR H H 8.6525 0.011 . 490 131 131 THR C C 175.585 0.325 . 491 131 131 THR CA C 61.611 0.325 . 492 131 131 THR CB C 70.932 0.325 . 493 131 131 THR N N 110.5718 0.113 . 494 132 132 HIS H H 8.736 0.011 . 495 132 132 HIS C C 176.317 0.325 . 496 132 132 HIS CA C 60.801 0.325 . 497 132 132 HIS CB C 29.532 0.325 . 498 132 132 HIS N N 120.021 0.113 . 499 133 133 GLU H H 8.9838 0.011 . 500 133 133 GLU C C 180.001 0.325 . 501 133 133 GLU CA C 60.0880 0.325 . 502 133 133 GLU CB C 28.4840 0.325 . 503 133 133 GLU N N 116.0832 0.113 . 504 134 134 GLU H H 7.7352 0.011 . 505 134 134 GLU C C 179.496 0.325 . 506 134 134 GLU CA C 58.610 0.325 . 507 134 134 GLU CB C 29.450 0.325 . 508 134 134 GLU N N 120.1308 0.113 . 509 135 135 ALA H H 8.7832 0.011 . 510 135 135 ALA C C 178.058 0.325 . 511 135 135 ALA CA C 55.367 0.325 . 512 135 135 ALA CB C 18.283 0.325 . 513 135 135 ALA N N 124.7941 0.113 . 514 136 136 LEU H H 7.9966 0.011 . 515 136 136 LEU C C 179.160 0.325 . 516 136 136 LEU CA C 56.988 0.325 . 517 136 136 LEU CB C 41.2327 0.325 . 518 136 136 LEU N N 117.0016 0.113 . 519 137 137 ALA H H 7.1475 0.011 . 520 137 137 ALA C C 179.187 0.325 . 521 137 137 ALA CA C 54.0407 0.325 . 522 137 137 ALA CB C 17.3585 0.325 . 523 137 137 ALA N N 119.1213 0.113 . 524 138 138 MET H H 7.882 0.011 . 525 138 138 MET C C 177.934 0.325 . 526 138 138 MET CA C 58.907 0.325 . 527 138 138 MET CB C 31.557 0.325 . 528 138 138 MET N N 119.036 0.113 . 529 139 139 ILE H H 7.8280 0.011 . 530 139 139 ILE C C 175.900 0.325 . 531 139 139 ILE CA C 65.1685 0.325 . 532 139 139 ILE CB C 36.7227 0.325 . 533 139 139 ILE N N 113.5047 0.113 . 534 140 140 LYS H H 6.7058 0.011 . 535 140 140 LYS C C 178.042 0.325 . 536 140 140 LYS CA C 55.8075 0.325 . 537 140 140 LYS CB C 31.7785 0.325 . 538 140 140 LYS N N 114.6417 0.113 . 539 141 141 ASP H H 7.867 0.011 . 540 141 141 ASP C C 176.706 0.325 . 541 141 141 ASP CA C 55.0034 0.325 . 542 141 141 ASP CB C 42.3305 0.325 . 543 141 141 ASP N N 119.192 0.113 . 544 142 142 CYS H H 7.9201 0.011 . 545 142 142 CYS C C 173.953 0.325 . 546 142 142 CYS CA C 56.012 0.325 . 547 142 142 CYS CB C 37.667 0.325 . 548 142 142 CYS N N 118.5531 0.113 . 549 143 143 GLU H H 8.8283 0.011 . 550 143 143 GLU C C 175.085 0.325 . 551 143 143 GLU CA C 54.2461 0.325 . 552 143 143 GLU CB C 32.8681 0.325 . 553 143 143 GLU N N 129.8800 0.113 . 554 144 144 VAL H H 8.0574 0.011 . 555 144 144 VAL C C 174.410 0.325 . 556 144 144 VAL CA C 59.0721 0.325 . 557 144 144 VAL CB C 34.4841 0.325 . 558 144 144 VAL N N 126.3821 0.113 . 559 145 145 SER H H 9.4100 0.011 . 560 145 145 SER C C 173.753 0.325 . 561 145 145 SER CA C 55.249 0.325 . 562 145 145 SER CB C 66.283 0.325 . 563 145 145 SER N N 121.8108 0.113 . 564 146 146 ILE H H 8.7964 0.011 . 565 146 146 ILE C C 175.162 0.325 . 566 146 146 ILE CA C 59.9745 0.325 . 567 146 146 ILE CB C 41.1324 0.325 . 568 146 146 ILE N N 118.0337 0.113 . 569 148 148 ILE H H 8.6284 0.011 . 570 148 148 ILE CA C 59.0825 0.325 . 571 148 148 ILE CB C 36.8061 0.325 . 572 148 148 ILE N N 124.2178 0.113 . 573 149 149 ARG H H 8.944 0.011 . 574 149 149 ARG C C 175.247 0.325 . 575 149 149 ARG N N 127.438 0.113 . 576 150 150 CYS H H 9.1773 0.011 . 577 150 150 CYS C C 174.714 0.325 . 578 150 150 CYS CA C 54.2887 0.325 . 579 150 150 CYS CB C 32.511 0.325 . 580 150 150 CYS N N 120.3950 0.113 . 581 151 151 SER H H 7.8878 0.011 . 582 151 151 SER CA C 56.5805 0.325 . 583 151 151 SER CB C 64.3593 0.325 . 584 151 151 SER N N 115.4293 0.113 . 585 153 153 GLU H H 7.7522 0.011 . 586 153 153 GLU C C 176.893 0.325 . 587 153 153 GLU CA C 57.0218 0.325 . 588 153 153 GLU CB C 29.723 0.325 . 589 153 153 GLU N N 122.0409 0.113 . 590 154 154 GLU H H 8.4590 0.011 . 591 154 154 GLU C C 176.621 0.325 . 592 154 154 GLU CA C 55.402 0.325 . 593 154 154 GLU CB C 30.434 0.325 . 594 154 154 GLU N N 126.3730 0.113 . 595 155 155 LYS H H 8.5713 0.011 . 596 155 155 LYS C C 174.612 0.325 . 597 155 155 LYS CA C 56.377 0.325 . 598 155 155 LYS CB C 30.859 0.325 . 599 155 155 LYS N N 121.6960 0.113 . 600 156 156 ASP H H 8.1487 0.011 . 601 156 156 ASP C C 176.874 0.325 . 602 156 156 ASP CA C 54.5624 0.325 . 603 156 156 ASP CB C 40.9564 0.325 . 604 156 156 ASP N N 117.3912 0.113 . 605 157 157 SER H H 8.4793 0.011 . 606 157 157 SER C C 173.104 0.325 . 607 157 157 SER CA C 60.7015 0.325 . 608 157 157 SER CB C 64.7062 0.325 . 609 157 157 SER N N 114.9318 0.113 . 610 158 158 ASP H H 8.0861 0.011 . 611 158 158 ASP C C 173.983 0.325 . 612 158 158 ASP CA C 52.4334 0.325 . 613 158 158 ASP CB C 39.9978 0.325 . 614 158 158 ASP N N 127.5108 0.113 . 615 159 159 ILE H H 7.4673 0.011 . 616 159 159 ILE C C 177.315 0.325 . 617 159 159 ILE CA C 60.2700 0.325 . 618 159 159 ILE CB C 39.3496 0.325 . 619 159 159 ILE N N 118.3522 0.113 . 620 160 160 LYS H H 8.6230 0.011 . 621 160 160 LYS C C 177.150 0.325 . 622 160 160 LYS CA C 52.7827 0.325 . 623 160 160 LYS CB C 30.8906 0.325 . 624 160 160 LYS N N 124.9340 0.113 . 625 161 161 THR H H 8.3647 0.011 . 626 161 161 THR C C 174.860 0.325 . 627 161 161 THR CA C 61.2002 0.325 . 628 161 161 THR CB C 67.7821 0.325 . 629 161 161 THR N N 112.0385 0.113 . 630 162 162 HIS H H 7.0484 0.011 . 631 162 162 HIS CA C 52.4543 0.325 . 632 162 162 HIS CB C 28.3280 0.325 . 633 162 162 HIS N N 118.1933 0.113 . 634 164 164 VAL H H 8.6041 0.011 . 635 164 164 VAL C C 176.468 0.325 . 636 164 164 VAL CA C 63.015 0.325 . 637 164 164 VAL CB C 30.7626 0.325 . 638 164 164 VAL N N 122.9180 0.113 . 639 165 165 LEU H H 8.5128 0.011 . 640 165 165 LEU C C 177.597 0.325 . 641 165 165 LEU CA C 54.1456 0.325 . 642 165 165 LEU CB C 42.0489 0.325 . 643 165 165 LEU N N 130.3650 0.113 . 644 166 166 GLY H H 8.7542 0.011 . 645 166 166 GLY C C 173.548 0.325 . 646 166 166 GLY CA C 43.9678 0.325 . 647 166 166 GLY N N 109.5407 0.113 . 648 167 167 SER H H 8.5683 0.011 . 649 167 167 SER C C 174.525 0.325 . 650 167 167 SER CA C 58.526 0.325 . 651 167 167 SER CB C 64.971 0.325 . 652 167 167 SER N N 114.7093 0.113 . 653 168 168 ASN H H 8.223 0.011 . 654 168 168 ASN C C 174.488 0.325 . 655 168 168 ASN CA C 54.727 0.325 . 656 168 168 ASN CB C 38.476 0.325 . 657 168 168 ASN N N 115.224 0.113 . 658 169 169 ILE H H 8.0655 0.011 . 659 169 169 ILE C C 175.255 0.325 . 660 169 169 ILE CA C 60.8467 0.325 . 661 169 169 ILE CB C 37.9408 0.325 . 662 169 169 ILE N N 120.1736 0.113 . 663 170 170 SER H H 8.6783 0.011 . 664 170 170 SER CA C 55.6818 0.325 . 665 170 170 SER CB C 64.9600 0.325 . 666 170 170 SER N N 120.5152 0.113 . 667 172 172 LYS H H 6.8838 0.011 . 668 172 172 LYS C C 173.560 0.325 . 669 172 172 LYS CA C 55.2128 0.325 . 670 172 172 LYS CB C 31.7113 0.325 . 671 172 172 LYS N N 118.1298 0.113 . 672 173 173 LYS H H 8.0378 0.011 . 673 173 173 LYS C C 175.950 0.325 . 674 173 173 LYS CA C 58.3632 0.325 . 675 173 173 LYS CB C 31.606 0.325 . 676 173 173 LYS N N 117.9487 0.113 . 677 174 174 VAL H H 6.5762 0.011 . 678 174 174 VAL C C 174.746 0.325 . 679 174 174 VAL CA C 59.5824 0.325 . 680 174 174 VAL CB C 32.3720 0.325 . 681 174 174 VAL N N 118.5562 0.113 . 682 175 175 SER H H 7.6114 0.011 . 683 175 175 SER C C 172.058 0.325 . 684 175 175 SER CA C 59.852 0.325 . 685 175 175 SER CB C 63.4840 0.325 . 686 175 175 SER N N 115.7821 0.113 . 687 176 176 TYR H H 8.5054 0.011 . 688 176 176 TYR C C 175.549 0.325 . 689 176 176 TYR CA C 58.939 0.325 . 690 176 176 TYR CB C 39.159 0.325 . 691 176 176 TYR N N 124.6117 0.113 . 692 177 177 GLU H H 7.2527 0.011 . 693 177 177 GLU C C 175.500 0.325 . 694 177 177 GLU CA C 54.0020 0.325 . 695 177 177 GLU CB C 33.0809 0.325 . 696 177 177 GLU N N 129.0926 0.113 . 697 178 178 ASP H H 7.7876 0.011 . 698 178 178 ASP C C 173.800 0.325 . 699 178 178 ASP CA C 53.3464 0.325 . 700 178 178 ASP CB C 40.0229 0.325 . 701 178 178 ASP N N 121.9198 0.113 . 702 179 179 ILE H H 8.7743 0.011 . 703 179 179 ILE C C 177.296 0.325 . 704 179 179 ILE CA C 62.2035 0.325 . 705 179 179 ILE CB C 41.5030 0.325 . 706 179 179 ILE N N 127.6588 0.113 . 707 180 180 ILE H H 8.9641 0.011 . 708 180 180 ILE C C 176.830 0.325 . 709 180 180 ILE CA C 62.256 0.325 . 710 180 180 ILE CB C 38.425 0.325 . 711 180 180 ILE N N 121.0661 0.113 . 712 181 181 GLY H H 9.2213 0.011 . 713 181 181 GLY C C 173.781 0.325 . 714 181 181 GLY CA C 44.1100 0.325 . 715 181 181 GLY N N 118.4363 0.113 . 716 182 182 SER H H 8.875 0.011 . 717 182 182 SER C C 174.462 0.325 . 718 182 182 SER CA C 58.608 0.325 . 719 182 182 SER CB C 61.150 0.325 . 720 182 182 SER N N 121.824 0.113 . 721 183 183 THR H H 7.4590 0.011 . 722 183 183 THR C C 171.346 0.325 . 723 183 183 THR CA C 61.5830 0.325 . 724 183 183 THR CB C 71.2064 0.325 . 725 183 183 THR N N 123.7048 0.113 . 726 184 184 ILE H H 8.5701 0.011 . 727 184 184 ILE C C 173.599 0.325 . 728 184 184 ILE CA C 58.4004 0.325 . 729 184 184 ILE CB C 40.4652 0.325 . 730 184 184 ILE N N 127.4845 0.113 . 731 185 185 VAL H H 8.4186 0.011 . 732 185 185 VAL C C 174.275 0.325 . 733 185 185 VAL CA C 59.071 0.325 . 734 185 185 VAL CB C 35.810 0.325 . 735 185 185 VAL N N 120.3748 0.113 . 736 186 186 ASP H H 7.7798 0.011 . 737 186 186 ASP C C 177.156 0.325 . 738 186 186 ASP CA C 53.443 0.325 . 739 186 186 ASP CB C 40.865 0.325 . 740 186 186 ASP N N 122.2819 0.113 . 741 187 187 THR H H 8.3368 0.011 . 742 187 187 THR C C 175.178 0.325 . 743 187 187 THR CA C 63.516 0.325 . 744 187 187 THR CB C 68.711 0.325 . 745 187 187 THR N N 118.8856 0.113 . 746 188 188 LYS H H 8.7502 0.011 . 747 188 188 LYS C C 177.667 0.325 . 748 188 188 LYS CA C 58.5547 0.325 . 749 188 188 LYS CB C 31.1372 0.325 . 750 188 188 LYS N N 122.0989 0.113 . 751 189 189 CYS H H 7.095 0.011 . 752 189 189 CYS C C 174.202 0.325 . 753 189 189 CYS CA C 55.987 0.325 . 754 189 189 CYS N N 106.980 0.113 . 755 190 190 VAL H H 8.058 0.011 . 756 190 190 VAL C C 173.137 0.325 . 757 190 190 VAL N N 123.665 0.113 . 758 191 191 LYS H H 9.0419 0.011 . 759 191 191 LYS C C 174.184 0.325 . 760 191 191 LYS CA C 57.775 0.325 . 761 191 191 LYS CB C 33.9130 0.325 . 762 191 191 LYS N N 128.7566 0.113 . 763 192 192 ASN H H 7.7655 0.011 . 764 192 192 ASN C C 173.706 0.325 . 765 192 192 ASN CA C 50.7272 0.325 . 766 192 192 ASN CB C 42.6636 0.325 . 767 192 192 ASN N N 109.4968 0.113 . 768 193 193 LEU H H 9.6271 0.011 . 769 193 193 LEU C C 173.997 0.325 . 770 193 193 LEU CA C 55.0419 0.325 . 771 193 193 LEU CB C 45.9579 0.325 . 772 193 193 LEU N N 121.2978 0.113 . 773 194 194 GLU H H 9.086 0.011 . 774 194 194 GLU C C 173.681 0.325 . 775 194 194 GLU CA C 55.640 0.325 . 776 194 194 GLU CB C 34.819 0.325 . 777 194 194 GLU N N 124.020 0.113 . 778 195 195 PHE H H 9.530 0.011 . 779 195 195 PHE C C 171.826 0.325 . 780 195 195 PHE CA C 55.810 0.325 . 781 195 195 PHE CB C 43.0223 0.325 . 782 195 195 PHE N N 122.1845 0.113 . 783 196 196 SER H H 8.844 0.011 . 784 196 196 SER C C 174.425 0.325 . 785 196 196 SER CA C 56.925 0.325 . 786 196 196 SER CB C 62.016 0.325 . 787 196 196 SER N N 122.129 0.113 . 788 197 197 VAL H H 8.7975 0.011 . 789 197 197 VAL C C 172.543 0.325 . 790 197 197 VAL CA C 59.4183 0.325 . 791 197 197 VAL CB C 33.8688 0.325 . 792 197 197 VAL N N 125.4334 0.113 . 793 198 198 ARG H H 8.929 0.011 . 794 198 198 ARG C C 174.951 0.325 . 795 198 198 ARG CA C 52.505 0.325 . 796 198 198 ARG CB C 34.746 0.325 . 797 198 198 ARG N N 125.221 0.113 . 798 199 199 ILE H H 7.7609 0.011 . 799 199 199 ILE C C 174.266 0.325 . 800 199 199 ILE CA C 59.8615 0.325 . 801 199 199 ILE CB C 39.5784 0.325 . 802 199 199 ILE N N 119.0198 0.113 . 803 200 200 GLY H H 8.2923 0.011 . 804 200 200 GLY C C 170.851 0.325 . 805 200 200 GLY CA C 45.6485 0.325 . 806 200 200 GLY N N 111.2167 0.113 . 807 201 201 ASP H H 9.5116 0.011 . 808 201 201 ASP C C 177.708 0.325 . 809 201 201 ASP CA C 53.8410 0.325 . 810 201 201 ASP CB C 42.730 0.325 . 811 201 201 ASP N N 122.1845 0.113 . 812 202 202 MET H H 8.7272 0.011 . 813 202 202 MET C C 176.370 0.325 . 814 202 202 MET CA C 58.313 0.325 . 815 202 202 MET CB C 34.686 0.325 . 816 202 202 MET N N 123.5533 0.113 . 817 203 203 CYS H H 9.3591 0.011 . 818 203 203 CYS C C 174.454 0.325 . 819 203 203 CYS CA C 57.2268 0.325 . 820 203 203 CYS CB C 43.5100 0.325 . 821 203 203 CYS N N 116.4927 0.113 . 822 204 204 LYS H H 7.8699 0.011 . 823 204 204 LYS C C 173.837 0.325 . 824 204 204 LYS CA C 55.613 0.325 . 825 204 204 LYS CB C 33.115 0.325 . 826 204 204 LYS N N 121.7202 0.113 . 827 205 205 GLU H H 8.300 0.011 . 828 205 205 GLU C C 177.296 0.325 . 829 205 205 GLU CA C 57.273 0.325 . 830 205 205 GLU CB C 29.410 0.325 . 831 205 205 GLU N N 123.810 0.113 . 832 206 206 SER H H 8.964 0.011 . 833 206 206 SER CA C 57.102 0.325 . 834 206 206 SER CB C 64.277 0.325 . 835 206 206 SER N N 121.066 0.113 . 836 208 208 GLU H H 8.9739 0.011 . 837 208 208 GLU C C 175.831 0.325 . 838 208 208 GLU CA C 57.7422 0.325 . 839 208 208 GLU CB C 29.1114 0.325 . 840 208 208 GLU N N 120.1478 0.113 . 841 209 209 LEU H H 7.996 0.011 . 842 209 209 LEU C C 173.421 0.325 . 843 209 209 LEU CA C 53.313 0.325 . 844 209 209 LEU CB C 41.808 0.325 . 845 209 209 LEU N N 117.5771 0.113 . 846 210 210 GLU H H 6.7626 0.011 . 847 210 210 GLU C C 176.979 0.325 . 848 210 210 GLU CA C 53.798 0.325 . 849 210 210 GLU CB C 28.6984 0.325 . 850 210 210 GLU N N 112.2086 0.113 . 851 211 211 VAL H H 8.4606 0.011 . 852 211 211 VAL C C 177.470 0.325 . 853 211 211 VAL CA C 58.717 0.325 . 854 211 211 VAL CB C 36.754 0.325 . 855 211 211 VAL N N 113.5448 0.113 . 856 212 212 LYS H H 8.680 0.011 . 857 212 212 LYS C C 173.260 0.325 . 858 212 212 LYS CA C 54.711 0.325 . 859 212 212 LYS CB C 37.521 0.325 . 860 212 212 LYS N N 124.149 0.113 . 861 213 213 ASP H H 9.1119 0.011 . 862 213 213 ASP C C 175.615 0.325 . 863 213 213 ASP CA C 51.6875 0.325 . 864 213 213 ASP CB C 45.292 0.325 . 865 213 213 ASP N N 124.6814 0.113 . 866 214 214 GLY H H 9.9779 0.011 . 867 214 214 GLY C C 170.596 0.325 . 868 214 214 GLY CA C 46.0989 0.325 . 869 214 214 GLY N N 111.7888 0.113 . 870 215 215 PHE H H 8.5322 0.011 . 871 215 215 PHE C C 173.028 0.325 . 872 215 215 PHE CA C 56.5000 0.325 . 873 215 215 PHE CB C 43.4268 0.325 . 874 215 215 PHE N N 120.0228 0.113 . 875 216 216 LYS H H 8.2224 0.011 . 876 216 216 LYS C C 173.162 0.325 . 877 216 216 LYS CA C 55.0558 0.325 . 878 216 216 LYS CB C 35.4611 0.325 . 879 216 216 LYS N N 125.0919 0.113 . 880 217 217 TYR H H 9.2222 0.011 . 881 217 217 TYR C C 173.268 0.325 . 882 217 217 TYR CA C 54.893 0.325 . 883 217 217 TYR CB C 38.938 0.325 . 884 217 217 TYR N N 125.9488 0.113 . 885 218 218 VAL H H 7.9551 0.011 . 886 218 218 VAL C C 175.880 0.325 . 887 218 218 VAL CA C 60.0015 0.325 . 888 218 218 VAL CB C 34.6994 0.325 . 889 218 218 VAL N N 123.2761 0.113 . 890 219 219 ASP H H 8.2832 0.011 . 891 219 219 ASP C C 176.144 0.325 . 892 219 219 ASP CA C 55.1475 0.325 . 893 219 219 ASP CB C 38.9957 0.325 . 894 219 219 ASP N N 125.9951 0.113 . 895 220 220 GLY H H 8.4819 0.011 . 896 220 220 GLY C C 174.098 0.325 . 897 220 220 GLY CA C 45.176 0.325 . 898 220 220 GLY N N 103.550 0.113 . 899 221 221 SER H H 7.5454 0.011 . 900 221 221 SER C C 172.504 0.325 . 901 221 221 SER CA C 57.0865 0.325 . 902 221 221 SER CB C 64.5500 0.325 . 903 221 221 SER N N 116.0842 0.113 . 904 222 222 ALA H H 8.8741 0.011 . 905 222 222 ALA C C 176.998 0.325 . 906 222 222 ALA CA C 49.8674 0.325 . 907 222 222 ALA CB C 22.0453 0.325 . 908 222 222 ALA N N 128.8788 0.113 . 909 223 223 SER H H 8.5380 0.011 . 910 223 223 SER C C 173.146 0.325 . 911 223 223 SER CA C 57.8788 0.325 . 912 223 223 SER CB C 65.511 0.325 . 913 223 223 SER N N 114.5000 0.113 . 914 224 224 LYS H H 8.5443 0.011 . 915 224 224 LYS C C 177.115 0.325 . 916 224 224 LYS CA C 55.557 0.325 . 917 224 224 LYS CB C 34.789 0.325 . 918 224 224 LYS N N 121.5518 0.113 . 919 225 225 GLY H H 7.9533 0.011 . 920 225 225 GLY C C 171.987 0.325 . 921 225 225 GLY CA C 45.1924 0.325 . 922 225 225 GLY N N 105.9825 0.113 . 923 226 226 ALA H H 8.581 0.011 . 924 226 226 ALA C C 175.484 0.325 . 925 226 226 ALA CA C 50.919 0.325 . 926 226 226 ALA CB C 18.503 0.325 . 927 226 226 ALA N N 124.853 0.113 . 928 227 227 THR H H 8.4196 0.011 . 929 227 227 THR C C 172.865 0.325 . 930 227 227 THR CA C 59.3781 0.325 . 931 227 227 THR CB C 70.7408 0.325 . 932 227 227 THR N N 115.2927 0.113 . 933 228 228 ASP H H 8.483 0.011 . 934 228 228 ASP C C 175.948 0.325 . 935 228 228 ASP CA C 53.900 0.325 . 936 228 228 ASP CB C 41.032 0.325 . 937 228 228 ASP N N 119.323 0.113 . 938 229 229 ASP H H 8.4430 0.011 . 939 229 229 ASP C C 176.776 0.325 . 940 229 229 ASP CA C 54.030 0.325 . 941 229 229 ASP CB C 42.7808 0.325 . 942 229 229 ASP N N 126.9781 0.113 . 943 230 230 THR H H 8.4188 0.011 . 944 230 230 THR C C 174.341 0.325 . 945 230 230 THR CA C 65.798 0.325 . 946 230 230 THR CB C 69.0420 0.325 . 947 230 230 THR N N 114.0551 0.113 . 948 232 232 LEU H H 7.1539 0.011 . 949 232 232 LEU C C 177.125 0.325 . 950 232 232 LEU CA C 58.2431 0.325 . 951 232 232 LEU CB C 41.9319 0.325 . 952 232 232 LEU N N 123.5194 0.113 . 953 233 233 ILE H H 7.6644 0.011 . 954 233 233 ILE C C 174.423 0.325 . 955 233 233 ILE CA C 58.025 0.325 . 956 233 233 ILE CB C 41.477 0.325 . 957 233 233 ILE N N 106.2956 0.113 . 958 234 234 ASP H H 8.2373 0.011 . 959 234 234 ASP CA C 51.683 0.325 . 960 234 234 ASP CB C 39.3227 0.325 . 961 234 234 ASP N N 120.0399 0.113 . 962 236 236 THR H H 8.3517 0.011 . 963 236 236 THR C C 176.066 0.325 . 964 236 236 THR CA C 63.9668 0.325 . 965 236 236 THR CB C 68.4410 0.325 . 966 236 236 THR N N 112.7161 0.113 . 967 237 237 LYS H H 6.9082 0.011 . 968 237 237 LYS C C 176.572 0.325 . 969 237 237 LYS CA C 55.074 0.325 . 970 237 237 LYS CB C 32.4250 0.325 . 971 237 237 LYS N N 117.7439 0.113 . 972 238 238 LEU H H 6.7691 0.011 . 973 238 238 LEU C C 176.357 0.325 . 974 238 238 LEU CA C 55.503 0.325 . 975 238 238 LEU CB C 41.7043 0.325 . 976 238 238 LEU N N 116.9173 0.113 . 977 239 239 LYS H H 8.6275 0.011 . 978 239 239 LYS C C 175.138 0.325 . 979 239 239 LYS CA C 53.4406 0.325 . 980 239 239 LYS CB C 33.9051 0.325 . 981 239 239 LYS N N 119.9793 0.113 . 982 240 240 ALA H H 8.6598 0.011 . 983 240 240 ALA C C 176.721 0.325 . 984 240 240 ALA CA C 52.985 0.325 . 985 240 240 ALA CB C 18.4467 0.325 . 986 240 240 ALA N N 123.4698 0.113 . 987 241 241 CYS H H 9.166 0.011 . 988 241 241 CYS C C 175.244 0.325 . 989 241 241 CYS CA C 52.436 0.325 . 990 241 241 CYS CB C 35.559 0.325 . 991 241 241 CYS N N 116.972 0.113 . 992 242 242 VAL H H 7.6320 0.011 . 993 242 242 VAL CA C 62.316 0.325 . 994 242 242 VAL CB C 34.190 0.325 . 995 242 242 VAL N N 118.7385 0.113 . stop_ save_