data_4649 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of N-terminal Domain of HTLV-I CA1-134 ; _BMRB_accession_number 4649 _BMRB_flat_file_name bmr4649.str _Entry_type original _Submission_date 2000-10-05 _Accession_date 2001-03-16 _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 Cornilescu C. . . 2 Bouamr F. . . 3 Yao X. . . 4 Carter C. . . 5 Tjandra N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 529 "13C chemical shifts" 477 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-09 original author . stop_ _Original_release_date 2001-05-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Analysis of the N-terminal Domain of the Human T-Cell Leukemia Virus Capsid Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 11243788 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cornilescu C. . . 2 Bouamr F. . . 3 Yao X. . . 4 Carter C. . . 5 Tjandra N. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 306 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 783 _Page_last 797 _Year 2001 _Details . loop_ _Keyword 'Beta Hairpin loop' 'helix core' stop_ save_ ################################## # Molecular system description # ################################## save_system_HTLV-I _Saveframe_category molecular_system _Mol_system_name 'HTLV-I CAPSID PROTEIN' _Abbreviation_common HTLV-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HTLV-I Capsid Protein' $HTLV-I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HTLV-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HTLV-I CAPSID PROTEIN' _Abbreviation_common HTLV-I _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; PVMHPHGAPPNHRPWQMKDL QAIKQEVSQAAPGSPQFMQT IRLAVQQFDPTAKDLQDLLQ YLCSSLVASLHHQQLDSLIS EAETRGITSYNPLAGPLRVQ ANNPQQQGLRREYQQLWLAA FAALPGSAKDPSWA ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 VAL 3 MET 4 HIS 5 PRO 6 HIS 7 GLY 8 ALA 9 PRO 10 PRO 11 ASN 12 HIS 13 ARG 14 PRO 15 TRP 16 GLN 17 MET 18 LYS 19 ASP 20 LEU 21 GLN 22 ALA 23 ILE 24 LYS 25 GLN 26 GLU 27 VAL 28 SER 29 GLN 30 ALA 31 ALA 32 PRO 33 GLY 34 SER 35 PRO 36 GLN 37 PHE 38 MET 39 GLN 40 THR 41 ILE 42 ARG 43 LEU 44 ALA 45 VAL 46 GLN 47 GLN 48 PHE 49 ASP 50 PRO 51 THR 52 ALA 53 LYS 54 ASP 55 LEU 56 GLN 57 ASP 58 LEU 59 LEU 60 GLN 61 TYR 62 LEU 63 CYS 64 SER 65 SER 66 LEU 67 VAL 68 ALA 69 SER 70 LEU 71 HIS 72 HIS 73 GLN 74 GLN 75 LEU 76 ASP 77 SER 78 LEU 79 ILE 80 SER 81 GLU 82 ALA 83 GLU 84 THR 85 ARG 86 GLY 87 ILE 88 THR 89 SER 90 TYR 91 ASN 92 PRO 93 LEU 94 ALA 95 GLY 96 PRO 97 LEU 98 ARG 99 VAL 100 GLN 101 ALA 102 ASN 103 ASN 104 PRO 105 GLN 106 GLN 107 GLN 108 GLY 109 LEU 110 ARG 111 ARG 112 GLU 113 TYR 114 GLN 115 GLN 116 LEU 117 TRP 118 LEU 119 ALA 120 ALA 121 PHE 122 ALA 123 ALA 124 LEU 125 PRO 126 GLY 127 SER 128 ALA 129 LYS 130 ASP 131 PRO 132 SER 133 TRP 134 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 4311 "human T-cell leukemia virus type I capsid protein" 91.04 214 97.54 97.54 1.75e-76 PDB 1G03 "Nmr Structure Of N-Terminal Domain Of Htlv-I Ca1-134" 99.25 134 100.00 100.00 1.96e-90 PDB 1QRJ "Solution Structure Of Htlv-i Capsid Protein" 91.04 214 97.54 97.54 1.75e-76 DBJ BAA02929 "gag polyprotein precursor [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.05e-86 DBJ BAF31288 "gag protein [eukaryotic synthetic construct]" 100.00 429 98.51 100.00 1.11e-85 DBJ BAH85785 "Gag protein [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.09e-86 DBJ BAP28584 "Gag protein [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 2.49e-86 EMBL CAA34075 "unnamed protein product [Human T-lymphotropic virus 1]" 100.00 429 100.00 100.00 6.59e-87 EMBL CAA62992 "p24 protein [Human T-lymphotropic virus 1]" 99.25 213 99.25 99.25 3.74e-89 GB AAA85325 "gag protein [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.51e-86 GB AAA85841 "gag [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.09e-86 GB AAA96672 "gag [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 2.23e-86 GB AAB20767 "Gag [Human T-lymphotropic virus 1]" 100.00 429 98.51 99.25 1.97e-85 GB AAC00185 "gag protein [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.09e-86 REF NP_049558 "gag polyprotein [Simian T-lymphotropic virus 1]" 100.00 428 98.51 99.25 2.96e-85 REF NP_057860 "Pr gag-pro-pol [Human T-lymphotropic virus 1]" 100.00 1462 99.25 99.25 3.91e-81 REF NP_057861 "Pr gag-pro [Human T-lymphotropic virus 1]" 100.00 651 99.25 99.25 2.50e-84 REF NP_057862 "Pr55 [Human T-lymphotropic virus 1]" 100.00 429 99.25 99.25 3.05e-86 REF NP_955618 "p24 CA [Human T-lymphotropic virus 1]" 100.00 215 99.25 99.25 5.99e-90 SP P03345 "RecName: Full=Gag polyprotein; AltName: Full=Pr53Gag; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: RecName: " 100.00 429 99.25 99.25 2.33e-86 SP P03362 "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" 100.00 1462 99.25 99.25 3.83e-81 SP P0C209 "RecName: Full=Gag polyprotein; AltName: Full=Pr53Gag; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: RecName: " 100.00 429 97.01 97.01 3.41e-84 SP P0C210 "RecName: Full=Gag-Pro polyprotein; AltName: Full=Pr76Gag-Pro; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: R" 100.00 651 97.01 97.01 2.79e-82 SP P0C211 "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" 100.00 1462 97.01 97.01 2.58e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HTLV-I human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HTLV-I 'recombinant technology' 'E. coli' . . . . 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 $HTLV-I 0.6 mM '[U-15N; U-13C]' H2O 95 % . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HTLV-I 0.6 mM '[U-15N; U-13C]' D2O 99.9 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HTLV-I 0.6 mM [U-15N] H2O 95 % . D2O 5 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type 'solution/partial magnetic alignement' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HTLV-I 0.6 mM '[U-15N; U-4% 13C DMPC/DHPC 3:1]' H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.840 loop_ _Task refinement stop_ _Details Brunger save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.5 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task 'data analysis' stop_ _Details DeLaglio save_ save_PIPP_STAPP _Saveframe_category software _Name PIPP_STAPP _Version 4.2.8 loop_ _Task 'data analysis' stop_ _Details Garrett save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_4D_13C/15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/15N-separated NOESY' _Sample_label . save_ save_4D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 300 . K 'ionic strength' 10 . mM pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 302 . K 'ionic strength' 10 . mM pressure 1 . atm 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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HTLV-I Capsid Protein' _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 PRO C C 181.3046 . . 2 . 1 PRO CA C 63.1070 . . 3 . 1 PRO CB C 32.6360 . . 4 . 1 PRO HA H 3.2430 . . 5 . 2 VAL C C 174.9551 . . 6 . 2 VAL CA C 63.1404 . . 7 . 2 VAL CB C 31.3257 . . 8 . 2 VAL CG1 C 23.760 . . 9 . 2 VAL CG2 C 23.760 . . 10 . 2 VAL HA H 4.5400 . . 11 . 2 VAL HB H 2.4250 . . 12 . 2 VAL HG1 H 0.8270 . . 13 . 2 VAL HG2 H 0.8270 . . 14 . 2 VAL H H 8.0496 . . 15 . 2 VAL N N 126.3568 . . 16 . 3 MET C C 176.3508 . . 17 . 3 MET CA C 53.2120 . . 18 . 3 MET CB C 33.1119 . . 19 . 3 MET CE C 17.0800 . . 20 . 3 MET CG C 32.4980 . . 21 . 3 MET HA H 4.5300 . . 22 . 3 MET HG3 H 2.3070 . . 23 . 3 MET HG2 H 2.3070 . . 24 . 3 MET HE H 2.0000 . . 25 . 3 MET H H 8.6917 . . 26 . 3 MET N N 125.3851 . . 27 . 4 HIS CA C 53.1841 . . 28 . 4 HIS CB C 29.3195 . . 29 . 4 HIS HA H 5.0300 . . 30 . 4 HIS HB2 H 3.0500 . . 31 . 4 HIS H H 8.6496 . . 32 . 4 HIS N N 116.8978 . . 33 . 5 PRO C C 178.2143 . . 34 . 5 PRO CA C 62.4400 . . 35 . 5 PRO HA H 4.4090 . . 36 . 5 PRO HB2 H 1.7660 . . 37 . 6 HIS CA C 57.5230 . . 38 . 6 HIS CB C 29.6100 . . 39 . 6 HIS HB3 H 3.1220 . . 40 . 6 HIS H H 8.7525 . . 41 . 6 HIS N N 121.0032 . . 42 . 7 GLY C C 173.6128 . . 43 . 7 GLY CA C 46.1440 . . 44 . 7 GLY HA2 H 3.8280 . . 45 . 7 GLY HA3 H 3.6165 . . 46 . 7 GLY H H 8.7525 . . 47 . 7 GLY N N 113.6530 . . 48 . 8 ALA CA C 49.9139 . . 49 . 8 ALA CB C 20.4234 . . 50 . 8 ALA HA H 4.8910 . . 51 . 8 ALA HB H 1.2260 . . 52 . 8 ALA H H 7.3344 . . 53 . 8 ALA N N 122.0419 . . 54 . 9 PRO CB C 31.9455 . . 55 . 9 PRO CD C 50.8100 . . 56 . 9 PRO HB2 H 2.2130 . . 57 . 9 PRO HB3 H 1.8310 . . 58 . 9 PRO HD2 H 3.7555 . . 59 . 9 PRO HD3 H 3.5618 . . 60 . 10 PRO C C 176.7910 . . 61 . 10 PRO CA C 62.8030 . . 62 . 10 PRO CB C 32.4130 . . 63 . 10 PRO HA H 4.7140 . . 64 . 10 PRO HB2 H 1.9730 . . 65 . 10 PRO HB3 H 1.4300 . . 66 . 11 ASN C C 173.3540 . . 67 . 11 ASN CA C 52.2421 . . 68 . 11 ASN CB C 42.4701 . . 69 . 11 ASN HA H 4.8580 . . 70 . 11 ASN HB2 H 2.5880 . . 71 . 11 ASN H H 7.9832 . . 72 . 11 ASN N N 115.4627 . . 73 . 12 HIS C C 175.0332 . . 74 . 12 HIS CA C 56.4816 . . 75 . 12 HIS CB C 33.0759 . . 76 . 12 HIS HA H 5.0700 . . 77 . 12 HIS HB2 H 2.9680 . . 78 . 12 HIS HB3 H 2.7570 . . 79 . 12 HIS H H 9.0373 . . 80 . 12 HIS N N 121.8899 . . 81 . 13 ARG CA C 52.2971 . . 82 . 13 ARG CB C 32.6246 . . 83 . 13 ARG H H 8.0569 . . 84 . 13 ARG N N 125.2146 . . 85 . 14 PRO C C 178.0986 . . 86 . 14 PRO CA C 61.9820 . . 87 . 14 PRO CB C 32.6120 . . 88 . 14 PRO CD C 50.8970 . . 89 . 14 PRO CG C 27.5420 . . 90 . 14 PRO HA H 4.2960 . . 91 . 14 PRO HB2 H 2.4130 . . 92 . 14 PRO HB3 H 1.8570 . . 93 . 15 TRP C C 178.6749 . . 94 . 15 TRP CA C 58.1797 . . 95 . 15 TRP CB C 30.7121 . . 96 . 15 TRP HA H 4.2250 . . 97 . 15 TRP HB2 H 2.8520 . . 98 . 15 TRP H H 8.3776 . . 99 . 15 TRP N N 119.4695 . . 100 . 16 GLN C C 178.8458 . . 101 . 16 GLN CA C 54.4331 . . 102 . 16 GLN CB C 29.9690 . . 103 . 16 GLN CG C 34.7000 . . 104 . 16 GLN HA H 4.5440 . . 105 . 16 GLN HB2 H 2.2530 . . 106 . 16 GLN HB3 H 2.0980 . . 107 . 16 GLN HG3 H 2.5250 . . 108 . 16 GLN HG2 H 2.5250 . . 109 . 16 GLN H H 9.5210 . . 110 . 16 GLN N N 121.5017 . . 111 . 17 MET C C 179.2310 . . 112 . 17 MET CA C 58.4230 . . 113 . 17 MET CG C 31.8420 . . 114 . 17 MET HA H 4.0725 . . 115 . 17 MET HB2 H 1.9990 . . 116 . 17 MET H H 9.1110 . . 117 . 17 MET N N 126.1410 . . 118 . 18 LYS C C 179.7542 . . 119 . 18 LYS CA C 59.1607 . . 120 . 18 LYS CB C 32.0177 . . 121 . 18 LYS CD C 29.4300 . . 122 . 18 LYS CG C 24.4870 . . 123 . 18 LYS HA H 4.0710 . . 124 . 18 LYS HB2 H 1.8070 . . 125 . 18 LYS HG2 H 1.3820 . . 126 . 18 LYS H H 8.6608 . . 127 . 18 LYS N N 115.7801 . . 128 . 19 ASP C C 178.5782 . . 129 . 19 ASP CA C 57.3422 . . 130 . 19 ASP CB C 41.8161 . . 131 . 19 ASP HA H 4.5330 . . 132 . 19 ASP HB2 H 2.8420 . . 133 . 19 ASP H H 7.1200 . . 134 . 19 ASP N N 119.5207 . . 135 . 20 LEU C C 179.5608 . . 136 . 20 LEU CA C 57.6163 . . 137 . 20 LEU CB C 39.9731 . . 138 . 20 LEU HA H 3.2350 . . 139 . 20 LEU HB2 H 1.1320 . . 140 . 20 LEU H H 6.8898 . . 141 . 20 LEU N N 119.1425 . . 142 . 21 GLN C C 179.5416 . . 143 . 21 GLN CA C 59.0045 . . 144 . 21 GLN CB C 28.5253 . . 145 . 21 GLN CG C 34.4800 . . 146 . 21 GLN HA H 4.0600 . . 147 . 21 GLN HB2 H 2.0800 . . 148 . 21 GLN HB3 H 1.9995 . . 149 . 21 GLN HG2 H 2.4580 . . 150 . 21 GLN H H 8.4754 . . 151 . 21 GLN N N 116.9288 . . 152 . 22 ALA C C 181.5218 . . 153 . 22 ALA CA C 55.4772 . . 154 . 22 ALA CB C 18.1730 . . 155 . 22 ALA HA H 4.1470 . . 156 . 22 ALA HB H 1.6220 . . 157 . 22 ALA H H 7.5227 . . 158 . 22 ALA N N 122.1499 . . 159 . 23 ILE C C 178.4758 . . 160 . 23 ILE CA C 65.4178 . . 161 . 23 ILE CB C 38.7202 . . 162 . 23 ILE CG2 C 18.2120 . . 163 . 23 ILE HA H 3.6260 . . 164 . 23 ILE HB H 1.5750 . . 165 . 23 ILE HG2 H 0.6250 . . 166 . 23 ILE H H 7.6547 . . 167 . 23 ILE N N 119.8462 . . 168 . 24 LYS C C 179.9818 . . 169 . 24 LYS CA C 60.1172 . . 170 . 24 LYS CB C 33.1780 . . 171 . 24 LYS CG C 25.4000 . . 172 . 24 LYS HA H 3.7340 . . 173 . 24 LYS HB2 H 2.1340 . . 174 . 24 LYS HB3 H 1.8020 . . 175 . 24 LYS H H 8.2184 . . 176 . 24 LYS N N 119.1126 . . 177 . 25 GLN C C 179.6986 . . 178 . 25 GLN CA C 58.9654 . . 179 . 25 GLN CB C 28.5539 . . 180 . 25 GLN CG C 33.9260 . . 181 . 25 GLN HA H 4.0500 . . 182 . 25 GLN HB2 H 2.1880 . . 183 . 25 GLN HG2 H 2.4610 . . 184 . 25 GLN H H 8.3672 . . 185 . 25 GLN N N 118.4254 . . 186 . 26 GLU CA C 58.9957 . . 187 . 26 GLU CB C 30.1387 . . 188 . 26 GLU CG C 36.4720 . . 189 . 26 GLU HA H 4.1220 . . 190 . 26 GLU HB2 H 2.1540 . . 191 . 26 GLU HG2 H 2.4070 . . 192 . 26 GLU H H 7.7576 . . 193 . 26 GLU N N 119.6611 . . 194 . 27 VAL C C 177.8253 . . 195 . 27 VAL CA C 63.8830 . . 196 . 27 VAL CB C 32.1398 . . 197 . 27 VAL CG1 C 22.1740 . . 198 . 27 VAL CG2 C 22.1740 . . 199 . 27 VAL HA H 3.9990 . . 200 . 27 VAL HB H 2.4310 . . 201 . 27 VAL HG2 H 0.8980 . . 202 . 27 VAL HG1 H 0.8980 . . 203 . 27 VAL H H 7.9781 . . 204 . 27 VAL N N 114.5721 . . 205 . 28 SER C C 176.4376 . . 206 . 28 SER CA C 60.0969 . . 207 . 28 SER CB C 62.4397 . . 208 . 28 SER HA H 4.1005 . . 209 . 28 SER HB2 H 3.8885 . . 210 . 28 SER H H 7.6846 . . 211 . 28 SER N N 114.3726 . . 212 . 29 GLN C C 175.9409 . . 213 . 29 GLN CA C 55.6804 . . 214 . 29 GLN CB C 28.6628 . . 215 . 29 GLN CG C 34.4770 . . 216 . 29 GLN HA H 4.3635 . . 217 . 29 GLN HB2 H 2.3790 . . 218 . 29 GLN HB3 H 1.9900 . . 219 . 29 GLN HG2 H 2.3550 . . 220 . 29 GLN H H 8.4821 . . 221 . 29 GLN N N 118.1947 . . 222 . 30 ALA C C 177.2410 . . 223 . 30 ALA CA C 51.8820 . . 224 . 30 ALA CB C 20.3790 . . 225 . 30 ALA HA H 4.4250 . . 226 . 30 ALA HB H 1.4320 . . 227 . 30 ALA H H 7.9164 . . 228 . 30 ALA N N 124.6157 . . 229 . 31 ALA CA C 50.5297 . . 230 . 31 ALA CB C 17.8937 . . 231 . 31 ALA HB H 1.3090 . . 232 . 31 ALA H H 8.6688 . . 233 . 31 ALA N N 125.0308 . . 234 . 32 PRO CB C 31.7220 . . 235 . 32 PRO CD C 50.4440 . . 236 . 32 PRO CG C 28.4030 . . 237 . 32 PRO HB3 H 1.5730 . . 238 . 32 PRO HD3 H 3.8390 . . 239 . 32 PRO HD2 H 3.5070 . . 240 . 32 PRO HG3 H 2.2020 . . 241 . 32 PRO HG2 H 1.9080 . . 242 . 33 GLY C C 173.6673 . . 243 . 33 GLY CA C 45.4320 . . 244 . 33 GLY HA2 H 4.3300 . . 245 . 33 GLY HA3 H 3.5375 . . 246 . 33 GLY H H 5.4893 . . 247 . 33 GLY N N 108.1064 . . 248 . 34 SER CA C 58.2946 . . 249 . 34 SER CB C 62.8331 . . 250 . 34 SER HA H 4.6320 . . 251 . 34 SER HB2 H 4.3780 . . 252 . 34 SER HB3 H 4.0150 . . 253 . 34 SER H H 8.0328 . . 254 . 34 SER N N 117.6110 . . 255 . 35 PRO C C 180.4808 . . 256 . 35 PRO CA C 67.0040 . . 257 . 35 PRO CB C 32.0510 . . 258 . 35 PRO HA H 4.2540 . . 259 . 35 PRO HB2 H 2.4230 . . 260 . 35 PRO HB3 H 1.9820 . . 261 . 36 GLN C C 179.3376 . . 262 . 36 GLN CA C 59.3352 . . 263 . 36 GLN CB C 28.3020 . . 264 . 36 GLN CG C 33.9100 . . 265 . 36 GLN HA H 4.0830 . . 266 . 36 GLN HB2 H 2.1420 . . 267 . 36 GLN HB3 H 1.9220 . . 268 . 36 GLN HG2 H 2.4440 . . 269 . 36 GLN H H 8.9699 . . 270 . 36 GLN N N 117.0986 . . 271 . 37 PHE C C 177.6493 . . 272 . 37 PHE CA C 61.3466 . . 273 . 37 PHE CB C 40.7954 . . 274 . 37 PHE HA H 3.8550 . . 275 . 37 PHE HB2 H 3.2610 . . 276 . 37 PHE HB3 H 2.6620 . . 277 . 37 PHE H H 7.2489 . . 278 . 37 PHE N N 121.0010 . . 279 . 38 MET C C 179.8016 . . 280 . 38 MET CA C 55.5418 . . 281 . 38 MET CB C 28.8948 . . 282 . 38 MET CG C 30.9620 . . 283 . 38 MET HA H 4.3470 . . 284 . 38 MET HB2 H 2.1540 . . 285 . 38 MET HB3 H 1.9300 . . 286 . 38 MET HG3 H 2.7400 . . 287 . 38 MET HG2 H 2.5400 . . 288 . 38 MET H H 8.8377 . . 289 . 38 MET N N 114.7317 . . 290 . 39 GLN C C 179.4163 . . 291 . 39 GLN CA C 59.3995 . . 292 . 39 GLN CB C 28.7163 . . 293 . 39 GLN CG C 33.6620 . . 294 . 39 GLN HA H 4.0680 . . 295 . 39 GLN HB2 H 2.1600 . . 296 . 39 GLN HG2 H 2.4180 . . 297 . 39 GLN H H 8.3448 . . 298 . 39 GLN N N 119.7972 . . 299 . 40 THR C C 178.1059 . . 300 . 40 THR CA C 67.0088 . . 301 . 40 THR CB C 68.5995 . . 302 . 40 THR CG2 C 23.2900 . . 303 . 40 THR HA H 3.9170 . . 304 . 40 THR HB H 3.9040 . . 305 . 40 THR HG2 H 1.1010 . . 306 . 40 THR H H 7.4227 . . 307 . 40 THR N N 115.5880 . . 308 . 41 ILE C C 178.7123 . . 309 . 41 ILE CA C 63.6525 . . 310 . 41 ILE CB C 36.8268 . . 311 . 41 ILE CG1 C 28.0680 . . 312 . 41 ILE CG2 C 18.9580 . . 313 . 41 ILE HA H 3.9030 . . 314 . 41 ILE HB H 1.6540 . . 315 . 41 ILE HG12 H 1.1780 . . 316 . 41 ILE HG13 H 0.9180 . . 317 . 41 ILE H H 8.2704 . . 318 . 41 ILE N N 120.0761 . . 319 . 42 ARG C C 180.6559 . . 320 . 42 ARG CA C 61.2033 . . 321 . 42 ARG CB C 30.4035 . . 322 . 42 ARG CD C 42.9130 . . 323 . 42 ARG HA H 4.0405 . . 324 . 42 ARG HB2 H 1.9190 . . 325 . 42 ARG H H 8.8613 . . 326 . 42 ARG N N 122.5233 . . 327 . 43 LEU C C 179.9972 . . 328 . 43 LEU CA C 58.2317 . . 329 . 43 LEU CB C 41.3887 . . 330 . 43 LEU CG C 27.4060 . . 331 . 43 LEU HA H 4.1800 . . 332 . 43 LEU HB2 H 1.7920 . . 333 . 43 LEU HG H 1.7490 . . 334 . 43 LEU H H 7.4963 . . 335 . 43 LEU N N 120.4523 . . 336 . 44 ALA C C 181.1908 . . 337 . 44 ALA CA C 55.4035 . . 338 . 44 ALA CB C 17.4840 . . 339 . 44 ALA HA H 4.5210 . . 340 . 44 ALA HB H 1.6430 . . 341 . 44 ALA H H 7.9719 . . 342 . 44 ALA N N 122.4290 . . 343 . 45 VAL C C 179.5679 . . 344 . 45 VAL CA C 66.7660 . . 345 . 45 VAL CB C 31.5962 . . 346 . 45 VAL CG1 C 24.6900 . . 347 . 45 VAL CG2 C 22.3530 . . 348 . 45 VAL HA H 3.4710 . . 349 . 45 VAL HB H 2.4250 . . 350 . 45 VAL HG1 H 1.1220 . . 351 . 45 VAL HG2 H 0.9230 . . 352 . 45 VAL H H 8.5459 . . 353 . 45 VAL N N 118.5900 . . 354 . 46 GLN C C 178.9701 . . 355 . 46 GLN CA C 59.1866 . . 356 . 46 GLN CB C 29.0584 . . 357 . 46 GLN CG C 34.0390 . . 358 . 46 GLN HA H 4.0520 . . 359 . 46 GLN HB2 H 2.2400 . . 360 . 46 GLN HG2 H 2.4560 . . 361 . 46 GLN H H 7.9546 . . 362 . 46 GLN N N 120.4880 . . 363 . 47 GLN C C 178.9635 . . 364 . 47 GLN CA C 58.8077 . . 365 . 47 GLN CB C 29.3151 . . 366 . 47 GLN CG C 33.1520 . . 367 . 47 GLN HA H 3.8880 . . 368 . 47 GLN HB2 H 1.9700 . . 369 . 47 GLN HB3 H 1.5340 . . 370 . 47 GLN HG3 H 1.9890 . . 371 . 47 GLN HG2 H 1.5700 . . 372 . 47 GLN H H 8.4949 . . 373 . 47 GLN N N 117.4019 . . 374 . 48 PHE C C 174.7606 . . 375 . 48 PHE CA C 59.3127 . . 376 . 48 PHE CB C 40.6550 . . 377 . 48 PHE HA H 4.5310 . . 378 . 48 PHE HB2 H 2.7980 . . 379 . 48 PHE HB3 H 2.7030 . . 380 . 48 PHE H H 8.2950 . . 381 . 48 PHE N N 113.2502 . . 382 . 49 ASP CA C 54.4236 . . 383 . 49 ASP CB C 40.4950 . . 384 . 49 ASP HA H 4.5610 . . 385 . 49 ASP HB2 H 2.6560 . . 386 . 49 ASP H H 7.7535 . . 387 . 49 ASP N N 117.0679 . . 388 . 50 PRO C C 178.9540 . . 389 . 50 PRO CA C 62.2340 . . 390 . 50 PRO CB C 34.3510 . . 391 . 50 PRO HA H 4.4410 . . 392 . 51 THR C C 175.3414 . . 393 . 51 THR CA C 60.6601 . . 394 . 51 THR CB C 70.6740 . . 395 . 51 THR CG2 C 22.4920 . . 396 . 51 THR HA H 3.9730 . . 397 . 51 THR HB H 5.1230 . . 398 . 51 THR HG2 H 1.0570 . . 399 . 51 THR H H 8.5725 . . 400 . 51 THR N N 108.9093 . . 401 . 52 ALA C C 181.9256 . . 402 . 52 ALA CA C 56.5917 . . 403 . 52 ALA CB C 17.5305 . . 404 . 52 ALA HA H 3.7920 . . 405 . 52 ALA HB H 0.5920 . . 406 . 52 ALA H H 6.3968 . . 407 . 52 ALA N N 120.4596 . . 408 . 53 LYS C C 179.5275 . . 409 . 53 LYS CA C 59.3119 . . 410 . 53 LYS CB C 32.0023 . . 411 . 53 LYS HA H 4.0270 . . 412 . 53 LYS HB2 H 1.7860 . . 413 . 53 LYS HB3 H 1.5500 . . 414 . 53 LYS H H 9.2743 . . 415 . 53 LYS N N 123.9884 . . 416 . 54 ASP C C 181.9015 . . 417 . 54 ASP CA C 57.1335 . . 418 . 54 ASP CB C 41.2737 . . 419 . 54 ASP HA H 4.3200 . . 420 . 54 ASP HB2 H 3.2460 . . 421 . 54 ASP HB3 H 2.3350 . . 422 . 54 ASP H H 7.6751 . . 423 . 54 ASP N N 118.5228 . . 424 . 55 LEU C C 178.7675 . . 425 . 55 LEU CA C 57.6843 . . 426 . 55 LEU CB C 39.5985 . . 427 . 55 LEU CG C 26.2810 . . 428 . 55 LEU HA H 3.9975 . . 429 . 55 LEU HB2 H 1.6840 . . 430 . 55 LEU H H 8.4075 . . 431 . 55 LEU N N 122.4318 . . 432 . 56 GLN C C 179.1133 . . 433 . 56 GLN CA C 58.4244 . . 434 . 56 GLN CB C 27.5353 . . 435 . 56 GLN CG C 32.7630 . . 436 . 56 GLN HA H 4.5580 . . 437 . 56 GLN HB2 H 2.3030 . . 438 . 56 GLN HG3 H 2.6150 . . 439 . 56 GLN H H 7.8495 . . 440 . 56 GLN N N 123.2339 . . 441 . 57 ASP C C 180.2327 . . 442 . 57 ASP CA C 57.6260 . . 443 . 57 ASP CB C 40.7760 . . 444 . 57 ASP HA H 4.4030 . . 445 . 57 ASP HB2 H 3.0380 . . 446 . 57 ASP HB3 H 2.6970 . . 447 . 57 ASP H H 8.4262 . . 448 . 57 ASP N N 120.3385 . . 449 . 58 LEU C C 178.3875 . . 450 . 58 LEU CA C 58.0108 . . 451 . 58 LEU CB C 42.4620 . . 452 . 58 LEU CG C 25.1510 . . 453 . 58 LEU HA H 3.7420 . . 454 . 58 LEU HB2 H 2.1440 . . 455 . 58 LEU HB3 H 1.2880 . . 456 . 58 LEU H H 8.1684 . . 457 . 58 LEU N N 120.7390 . . 458 . 59 LEU C C 179.0897 . . 459 . 59 LEU CA C 59.1493 . . 460 . 59 LEU CB C 43.4362 . . 461 . 59 LEU CG C 27.5910 . . 462 . 59 LEU HA H 4.0900 . . 463 . 59 LEU HB2 H 2.3790 . . 464 . 59 LEU HB3 H 2.0070 . . 465 . 59 LEU HG H 1.4800 . . 466 . 59 LEU H H 8.6676 . . 467 . 59 LEU N N 120.3983 . . 468 . 60 GLN C C 177.8116 . . 469 . 60 GLN CA C 57.8793 . . 470 . 60 GLN CB C 28.9714 . . 471 . 60 GLN CG C 34.9120 . . 472 . 60 GLN HA H 4.1235 . . 473 . 60 GLN HB2 H 2.1780 . . 474 . 60 GLN HG3 H 2.5960 . . 475 . 60 GLN HG2 H 2.4880 . . 476 . 60 GLN H H 8.2076 . . 477 . 60 GLN N N 113.7946 . . 478 . 61 TYR C C 178.0639 . . 479 . 61 TYR CA C 60.8464 . . 480 . 61 TYR CB C 40.0441 . . 481 . 61 TYR HA H 4.1730 . . 482 . 61 TYR HB2 H 3.1195 . . 483 . 61 TYR HB3 H 2.8200 . . 484 . 61 TYR H H 7.7332 . . 485 . 61 TYR N N 118.6560 . . 486 . 62 LEU C C 179.4030 . . 487 . 62 LEU CA C 56.7010 . . 488 . 62 LEU CB C 46.3005 . . 489 . 62 LEU CD1 C 22.6170 . . 490 . 62 LEU CG C 26.1290 . . 491 . 62 LEU HA H 4.1560 . . 492 . 62 LEU HB2 H 2.1130 . . 493 . 62 LEU HB3 H 1.7340 . . 494 . 62 LEU H H 7.9993 . . 495 . 62 LEU N N 114.2340 . . 496 . 63 CYS C C 174.5241 . . 497 . 63 CYS CA C 58.3529 . . 498 . 63 CYS CB C 32.1713 . . 499 . 63 CYS HA H 4.8300 . . 500 . 63 CYS HB2 H 3.0880 . . 501 . 63 CYS HB3 H 2.8070 . . 502 . 63 CYS H H 8.1330 . . 503 . 63 CYS N N 115.1266 . . 504 . 64 SER C C 175.4139 . . 505 . 64 SER CA C 57.4469 . . 506 . 64 SER CB C 65.0040 . . 507 . 64 SER HA H 4.4110 . . 508 . 64 SER HB2 H 4.4340 . . 509 . 64 SER HB3 H 4.0980 . . 510 . 64 SER H H 8.9055 . . 511 . 64 SER N N 118.0173 . . 512 . 65 SER C C 178.2892 . . 513 . 65 SER CA C 57.3468 . . 514 . 65 SER CB C 61.9600 . . 515 . 65 SER HA H 4.1730 . . 516 . 65 SER HB2 H 3.9620 . . 517 . 65 SER H H 8.9859 . . 518 . 65 SER N N 116.6826 . . 519 . 66 LEU C C 179.9858 . . 520 . 66 LEU CA C 58.4200 . . 521 . 66 LEU CB C 42.2524 . . 522 . 66 LEU CG C 27.1900 . . 523 . 66 LEU HA H 4.1850 . . 524 . 66 LEU CD2 C 24.4690 . . 525 . 66 LEU HB2 H 1.6640 . . 526 . 66 LEU H H 8.0662 . . 527 . 66 LEU N N 123.1827 . . 528 . 67 VAL C C 178.6097 . . 529 . 67 VAL CA C 67.0740 . . 530 . 67 VAL CB C 31.9108 . . 531 . 67 VAL CG1 C 21.6440 . . 532 . 67 VAL HA H 3.4430 . . 533 . 67 VAL HB H 2.1300 . . 534 . 67 VAL H H 7.5106 . . 535 . 67 VAL N N 120.6269 . . 536 . 68 ALA C C 180.8375 . . 537 . 68 ALA CA C 55.7827 . . 538 . 68 ALA CB C 17.6330 . . 539 . 68 ALA HA H 3.9400 . . 540 . 68 ALA HB H 1.3933 . . 541 . 68 ALA H H 8.7694 . . 542 . 68 ALA N N 120.9630 . . 543 . 69 SER C C 178.1189 . . 544 . 69 SER CA C 61.8209 . . 545 . 69 SER CB C 62.9076 . . 546 . 69 SER HA H 4.3060 . . 547 . 69 SER HB2 H 4.0640 . . 548 . 69 SER H H 8.0609 . . 549 . 69 SER N N 114.4441 . . 550 . 70 LEU C C 180.8071 . . 551 . 70 LEU CA C 58.0269 . . 552 . 70 LEU CB C 42.3157 . . 553 . 70 LEU HA H 4.1000 . . 554 . 70 LEU HB2 H 1.8940 . . 555 . 70 LEU HB3 H 1.4070 . . 556 . 70 LEU H H 7.9809 . . 557 . 70 LEU N N 124.0115 . . 558 . 71 HIS C C 177.5258 . . 559 . 71 HIS CA C 62.2070 . . 560 . 71 HIS CB C 31.4412 . . 561 . 71 HIS HA H 3.4310 . . 562 . 71 HIS HB2 H 3.0070 . . 563 . 71 HIS HB3 H 2.3930 . . 564 . 71 HIS H H 8.7891 . . 565 . 71 HIS N N 121.3533 . . 566 . 72 HIS C C 177.9632 . . 567 . 72 HIS CA C 59.4051 . . 568 . 72 HIS CB C 29.2833 . . 569 . 72 HIS HA H 4.2300 . . 570 . 72 HIS HB2 H 3.5470 . . 571 . 72 HIS HB3 H 3.4290 . . 572 . 72 HIS H H 8.3514 . . 573 . 72 HIS N N 116.9468 . . 574 . 73 GLN C C 179.8217 . . 575 . 73 GLN CA C 59.0706 . . 576 . 73 GLN CB C 29.1426 . . 577 . 73 GLN CG C 34.0580 . . 578 . 73 GLN HA H 4.0310 . . 579 . 73 GLN HB2 H 2.1690 . . 580 . 73 GLN HG3 H 2.4230 . . 581 . 73 GLN HG2 H 2.4130 . . 582 . 73 GLN H H 7.7174 . . 583 . 73 GLN N N 117.0430 . . 584 . 74 GLN C C 179.1198 . . 585 . 74 GLN CA C 57.7134 . . 586 . 74 GLN CB C 27.6902 . . 587 . 74 GLN CG C 33.0510 . . 588 . 74 GLN HA H 4.1230 . . 589 . 74 GLN HB2 H 1.9390 . . 590 . 74 GLN HB3 H 1.7550 . . 591 . 74 GLN HG3 H 2.6040 . . 592 . 74 GLN HG2 H 2.0300 . . 593 . 74 GLN H H 7.6739 . . 594 . 74 GLN N N 119.1363 . . 595 . 75 LEU C C 178.7862 . . 596 . 75 LEU CA C 57.9541 . . 597 . 75 LEU CB C 40.8093 . . 598 . 75 LEU CD2 C 23.0460 . . 599 . 75 LEU CG C 27.4020 . . 600 . 75 LEU HA H 3.7560 . . 601 . 75 LEU HB2 H 1.8290 . . 602 . 75 LEU HG H 1.0960 . . 603 . 75 LEU H H 9.0524 . . 604 . 75 LEU N N 122.2646 . . 605 . 76 ASP C C 180.7421 . . 606 . 76 ASP CA C 57.9977 . . 607 . 76 ASP CB C 39.9326 . . 608 . 76 ASP HA H 4.3530 . . 609 . 76 ASP HB2 H 2.5930 . . 610 . 76 ASP H H 8.2976 . . 611 . 76 ASP N N 119.0909 . . 612 . 77 SER C C 177.8040 . . 613 . 77 SER CA C 61.7647 . . 614 . 77 SER CB C 62.8084 . . 615 . 77 SER HA H 4.2666 . . 616 . 77 SER HB2 H 3.9615 . . 617 . 77 SER H H 7.3018 . . 618 . 77 SER N N 115.7275 . . 619 . 78 LEU C C 181.7371 . . 620 . 78 LEU CA C 58.0448 . . 621 . 78 LEU CB C 42.5490 . . 622 . 78 LEU CD1 C 68.4860 . . 623 . 78 LEU CD2 C 64.9220 . . 624 . 78 LEU CG C 69.3800 . . 625 . 78 LEU HA H 4.0530 . . 626 . 78 LEU HB2 H 1.9450 . . 627 . 78 LEU HB3 H 1.4050 . . 628 . 78 LEU HD1 H 0.7230 . . 629 . 78 LEU HD2 H 0.7890 . . 630 . 78 LEU HG H 1.7690 . . 631 . 78 LEU H H 8.2418 . . 632 . 78 LEU N N 122.9055 . . 633 . 79 ILE C C 178.2277 . . 634 . 79 ILE CA C 66.2270 . . 635 . 79 ILE CB C 38.2482 . . 636 . 79 ILE CD1 C 78.6400 . . 637 . 79 ILE CG1 C 30.8480 . . 638 . 79 ILE CG2 C 17.9370 . . 639 . 79 ILE HA H 3.5370 . . 640 . 79 ILE HB H 1.9270 . . 641 . 79 ILE HD1 H 0.9280 . . 642 . 79 ILE HG2 H 0.9090 . . 643 . 79 ILE HG12 H 1.8220 . . 644 . 79 ILE HG13 H 0.7760 . . 645 . 79 ILE H H 9.0240 . . 646 . 79 ILE N N 121.3876 . . 647 . 80 SER C C 178.6246 . . 648 . 80 SER CA C 61.8118 . . 649 . 80 SER CB C 62.8067 . . 650 . 80 SER HA H 4.3060 . . 651 . 80 SER HB2 H 4.0220 . . 652 . 80 SER H H 7.8886 . . 653 . 80 SER N N 114.8972 . . 654 . 81 GLU C C 179.5866 . . 655 . 81 GLU CA C 59.5918 . . 656 . 81 GLU CB C 29.9114 . . 657 . 81 GLU CG C 36.3590 . . 658 . 81 GLU HA H 4.0570 . . 659 . 81 GLU HB2 H 2.0640 . . 660 . 81 GLU HG3 H 2.3900 . . 661 . 81 GLU HG2 H 2.2140 . . 662 . 81 GLU H H 7.8761 . . 663 . 81 GLU N N 121.0106 . . 664 . 82 ALA C C 180.9209 . . 665 . 82 ALA CA C 55.4052 . . 666 . 82 ALA CB C 18.3490 . . 667 . 82 ALA HA H 4.0330 . . 668 . 82 ALA HB H 1.4410 . . 669 . 82 ALA H H 8.1893 . . 670 . 82 ALA N N 123.6429 . . 671 . 83 GLU C C 180.5561 . . 672 . 83 GLU CA C 59.7476 . . 673 . 83 GLU CB C 30.0158 . . 674 . 83 GLU CG C 37.6870 . . 675 . 83 GLU HA H 3.8850 . . 676 . 83 GLU HB2 H 2.3080 . . 677 . 83 GLU HB3 H 2.1070 . . 678 . 83 GLU HG3 H 2.6110 . . 679 . 83 GLU HG2 H 2.1390 . . 680 . 83 GLU H H 8.8148 . . 681 . 83 GLU N N 116.9299 . . 682 . 84 THR C C 176.7823 . . 683 . 84 THR CA C 65.8374 . . 684 . 84 THR CB C 69.0338 . . 685 . 84 THR CG2 C 21.3340 . . 686 . 84 THR HA H 4.0500 . . 687 . 84 THR HB H 4.3110 . . 688 . 84 THR HG2 H 1.2702 . . 689 . 84 THR H H 7.8064 . . 690 . 84 THR N N 114.5905 . . 691 . 85 ARG C C 179.8966 . . 692 . 85 ARG CA C 58.3354 . . 693 . 85 ARG CB C 31.0583 . . 694 . 85 ARG CD C 43.7630 . . 695 . 85 ARG CG C 27.6080 . . 696 . 85 ARG HA H 4.2090 . . 697 . 85 ARG HB2 H 1.9310 . . 698 . 85 ARG HD2 H 3.2110 . . 699 . 85 ARG HG3 H 1.8100 . . 700 . 85 ARG HG2 H 1.7050 . . 701 . 85 ARG H H 7.7851 . . 702 . 85 ARG N N 120.9355 . . 703 . 86 GLY C C 174.1721 . . 704 . 86 GLY CA C 45.3194 . . 705 . 86 GLY HA2 H 4.3580 . . 706 . 86 GLY HA3 H 3.7070 . . 707 . 86 GLY H H 7.9660 . . 708 . 86 GLY N N 109.3615 . . 709 . 87 ILE C C 177.3589 . . 710 . 87 ILE CA C 60.6452 . . 711 . 87 ILE CB C 40.3969 . . 712 . 87 ILE CD1 C 77.8330 . . 713 . 87 ILE CG1 C 27.3970 . . 714 . 87 ILE CG2 C 16.8920 . . 715 . 87 ILE HA H 4.2630 . . 716 . 87 ILE HB H 1.6600 . . 717 . 87 ILE HD1 H 0.5550 . . 718 . 87 ILE HG12 H 1.4870 . . 719 . 87 ILE HG13 H 0.8400 . . 720 . 87 ILE HG2 H 0.7650 . . 721 . 87 ILE H H 8.6483 . . 722 . 87 ILE N N 125.3024 . . 723 . 88 THR C C 176.0799 . . 724 . 88 THR CA C 64.8473 . . 725 . 88 THR CB C 69.1790 . . 726 . 88 THR CG2 C 22.0860 . . 727 . 88 THR HA H 4.0255 . . 728 . 88 THR HB H 4.0450 . . 729 . 88 THR HG2 H 1.6863 . . 730 . 88 THR H H 8.6764 . . 731 . 88 THR N N 124.2393 . . 732 . 89 SER C C 174.3063 . . 733 . 89 SER CA C 60.1220 . . 734 . 89 SER CB C 63.2027 . . 735 . 89 SER HA H 4.1640 . . 736 . 89 SER HB2 H 4.0980 . . 737 . 89 SER H H 8.8444 . . 738 . 89 SER N N 117.6316 . . 739 . 90 TYR C C 174.2146 . . 740 . 90 TYR CA C 56.4703 . . 741 . 90 TYR CB C 39.3673 . . 742 . 90 TYR HA H 4.6800 . . 743 . 90 TYR HB2 H 3.1550 . . 744 . 90 TYR HB3 H 2.6750 . . 745 . 90 TYR H H 7.9261 . . 746 . 90 TYR N N 121.5559 . . 747 . 91 ASN CA C 48.7538 . . 748 . 91 ASN CB C 39.3424 . . 749 . 91 ASN HA H 5.0050 . . 750 . 91 ASN H H 9.0194 . . 751 . 91 ASN N N 127.8300 . . 752 . 92 PRO C C 179.4696 . . 753 . 92 PRO CA C 63.6810 . . 754 . 92 PRO CB C 32.0600 . . 755 . 92 PRO CD C 51.1510 . . 756 . 92 PRO CG C 26.8730 . . 757 . 92 PRO HA H 3.9460 . . 758 . 92 PRO HB2 H 2.2510 . . 759 . 92 PRO HB3 H 1.9000 . . 760 . 92 PRO HD2 H 3.8400 . . 761 . 92 PRO HD3 H 3.3470 . . 762 . 92 PRO HG2 H 1.8850 . . 763 . 93 LEU C C 179.3122 . . 764 . 93 LEU CA C 56.6833 . . 765 . 93 LEU CB C 40.9299 . . 766 . 93 LEU CD1 C 25.1370 . . 767 . 93 LEU CD2 C 22.7030 . . 768 . 93 LEU CG C 27.4680 . . 769 . 93 LEU HA H 4.0750 . . 770 . 93 LEU HB2 H 1.6380 . . 771 . 93 LEU HB3 H 1.4740 . . 772 . 93 LEU HD1 H 0.9050 . . 773 . 93 LEU HD2 H 0.8250 . . 774 . 93 LEU HG H 1.6140 . . 775 . 93 LEU H H 7.6271 . . 776 . 93 LEU N N 118.1283 . . 777 . 94 ALA C C 177.3770 . . 778 . 94 ALA CA C 51.9854 . . 779 . 94 ALA CB C 18.1060 . . 780 . 94 ALA HA H 4.4180 . . 781 . 94 ALA HB H 1.3723 . . 782 . 94 ALA H H 7.4573 . . 783 . 94 ALA N N 119.9186 . . 784 . 95 GLY CA C 44.0114 . . 785 . 95 GLY HA2 H 4.5450 . . 786 . 95 GLY HA3 H 3.9810 . . 787 . 95 GLY H H 7.2660 . . 788 . 95 GLY N N 107.3860 . . 789 . 96 PRO C C 178.6933 . . 790 . 96 PRO CA C 63.2750 . . 791 . 96 PRO CB C 32.8010 . . 792 . 96 PRO HA H 4.7790 . . 793 . 96 PRO HB2 H 2.6650 . . 794 . 96 PRO HB3 H 1.9140 . . 795 . 97 LEU C C 178.5418 . . 796 . 97 LEU CA C 59.6812 . . 797 . 97 LEU CB C 41.4350 . . 798 . 97 LEU CG C 26.8250 . . 799 . 97 LEU HA H 3.7470 . . 800 . 97 LEU HB2 H 1.7220 . . 801 . 97 LEU HB3 H 1.1420 . . 802 . 97 LEU H H 8.8384 . . 803 . 97 LEU N N 127.4123 . . 804 . 98 ARG C C 176.5477 . . 805 . 98 ARG CA C 59.4288 . . 806 . 98 ARG CB C 30.3491 . . 807 . 98 ARG CD C 43.7700 . . 808 . 98 ARG CG C 70.5190 . . 809 . 98 ARG HA H 3.3510 . . 810 . 98 ARG HB2 H 1.6550 . . 811 . 98 ARG HG3 H 1.5130 . . 812 . 98 ARG H H 9.0770 . . 813 . 98 ARG N N 113.7910 . . 814 . 99 VAL C C 181.2110 . . 815 . 99 VAL CA C 64.9147 . . 816 . 99 VAL CB C 32.7314 . . 817 . 99 VAL CG1 C 21.0410 . . 818 . 99 VAL CG2 C 22.5934 . . 819 . 99 VAL HA H 3.7740 . . 820 . 99 VAL HB H 2.0370 . . 821 . 99 VAL HG1 H 0.9850 . . 822 . 99 VAL HG2 H 0.9710 . . 823 . 99 VAL H H 6.7915 . . 824 . 99 VAL N N 115.4975 . . 825 . 100 GLN C C 178.7611 . . 826 . 100 GLN CA C 60.9163 . . 827 . 100 GLN CB C 29.8336 . . 828 . 100 GLN CG C 35.1060 . . 829 . 100 GLN HA H 4.0760 . . 830 . 100 GLN HB2 H 2.3240 . . 831 . 100 GLN HB3 H 1.7480 . . 832 . 100 GLN HG3 H 2.3260 . . 833 . 100 GLN HG2 H 2.0230 . . 834 . 100 GLN H H 8.1725 . . 835 . 100 GLN N N 121.8982 . . 836 . 101 ALA C C 178.5729 . . 837 . 101 ALA CA C 53.5000 . . 838 . 101 ALA CB C 18.2640 . . 839 . 101 ALA HA H 3.8740 . . 840 . 101 ALA HB H 1.0140 . . 841 . 101 ALA H H 8.2040 . . 842 . 101 ALA N N 116.0720 . . 843 . 102 ASN C C 175.7211 . . 844 . 102 ASN CA C 53.0700 . . 845 . 102 ASN CB C 39.1110 . . 846 . 102 ASN HA H 4.8410 . . 847 . 102 ASN HB2 H 2.8510 . . 848 . 102 ASN H H 7.4902 . . 849 . 102 ASN N N 117.6853 . . 850 . 103 ASN CA C 50.6670 . . 851 . 103 ASN CB C 38.7704 . . 852 . 103 ASN HA H 5.0320 . . 853 . 103 ASN HB2 H 3.3800 . . 854 . 103 ASN HB3 H 3.0010 . . 855 . 103 ASN H H 7.6487 . . 856 . 103 ASN N N 121.2050 . . 857 . 104 PRO C C 177.4921 . . 858 . 104 PRO CA C 64.9210 . . 859 . 104 PRO CB C 32.3590 . . 860 . 104 PRO CD C 51.6030 . . 861 . 104 PRO CG C 28.0590 . . 862 . 104 PRO HA H 3.9665 . . 863 . 104 PRO HB2 H 1.8840 . . 864 . 104 PRO HD2 H 4.4240 . . 865 . 104 PRO HD3 H 3.9210 . . 866 . 105 GLN C C 178.5586 . . 867 . 105 GLN CA C 57.3623 . . 868 . 105 GLN CB C 29.1222 . . 869 . 105 GLN CG C 34.1240 . . 870 . 105 GLN HA H 4.1560 . . 871 . 105 GLN HB2 H 2.2400 . . 872 . 105 GLN HB3 H 1.9850 . . 873 . 105 GLN HG3 H 2.4850 . . 874 . 105 GLN H H 7.9938 . . 875 . 105 GLN N N 113.4873 . . 876 . 106 GLN C C 176.1063 . . 877 . 106 GLN CA C 53.9739 . . 878 . 106 GLN CB C 26.6178 . . 879 . 106 GLN CG C 33.0900 . . 880 . 106 GLN HA H 4.6650 . . 881 . 106 GLN HB2 H 2.2000 . . 882 . 106 GLN HG3 H 2.5320 . . 883 . 106 GLN HG2 H 2.2260 . . 884 . 106 GLN H H 7.7610 . . 885 . 106 GLN N N 120.6060 . . 886 . 107 GLN CA C 60.2303 . . 887 . 107 GLN CB C 29.9288 . . 888 . 107 GLN CG C 34.1250 . . 889 . 107 GLN HA H 3.7380 . . 890 . 107 GLN HB2 H 2.3230 . . 891 . 107 GLN HB3 H 2.0420 . . 892 . 107 GLN HG2 H 2.2260 . . 893 . 107 GLN H H 7.6092 . . 894 . 107 GLN N N 121.6059 . . 895 . 108 GLY C C 178.0115 . . 896 . 108 GLY CA C 47.5375 . . 897 . 108 GLY HA2 H 3.9445 . . 898 . 108 GLY HA3 H 3.7505 . . 899 . 108 GLY H H 8.6076 . . 900 . 108 GLY N N 106.5760 . . 901 . 109 LEU C C 179.7594 . . 902 . 109 LEU CA C 57.5448 . . 903 . 109 LEU CB C 41.1042 . . 904 . 109 LEU CD1 C 27.3790 . . 905 . 109 LEU CD2 C 23.6600 . . 906 . 109 LEU CG C 26.9760 . . 907 . 109 LEU HA H 4.0790 . . 908 . 109 LEU HB2 H 1.6720 . . 909 . 109 LEU HB3 H 1.2610 . . 910 . 109 LEU HD1 H 0.8610 . . 911 . 109 LEU HD2 H 0.7340 . . 912 . 109 LEU HG H 1.7690 . . 913 . 109 LEU H H 8.0709 . . 914 . 109 LEU N N 121.1165 . . 915 . 110 ARG C C 179.6401 . . 916 . 110 ARG CA C 60.8637 . . 917 . 110 ARG CB C 29.4394 . . 918 . 110 ARG HA H 3.9320 . . 919 . 110 ARG HB2 H 2.0140 . . 920 . 110 ARG H H 8.3125 . . 921 . 110 ARG N N 120.5190 . . 922 . 111 ARG C C 180.2349 . . 923 . 111 ARG CA C 58.6855 . . 924 . 111 ARG CB C 29.0929 . . 925 . 111 ARG CD C 42.8710 . . 926 . 111 ARG HA H 4.1010 . . 927 . 111 ARG HB2 H 2.0310 . . 928 . 111 ARG H H 8.4891 . . 929 . 111 ARG N N 119.1000 . . 930 . 112 GLU C C 180.1004 . . 931 . 112 GLU CA C 59.4023 . . 932 . 112 GLU CB C 28.8844 . . 933 . 112 GLU CG C 34.9450 . . 934 . 112 GLU HA H 4.1240 . . 935 . 112 GLU HB2 H 2.1480 . . 936 . 112 GLU HB3 H 2.0780 . . 937 . 112 GLU HG3 H 2.3610 . . 938 . 112 GLU HG2 H 2.2460 . . 939 . 112 GLU H H 7.9607 . . 940 . 112 GLU N N 119.9780 . . 941 . 113 TYR C C 178.2226 . . 942 . 113 TYR CA C 63.3036 . . 943 . 113 TYR CB C 38.8765 . . 944 . 113 TYR HA H 3.7450 . . 945 . 113 TYR HB2 H 3.2250 . . 946 . 113 TYR HB3 H 2.7260 . . 947 . 113 TYR H H 8.6038 . . 948 . 113 TYR N N 119.9942 . . 949 . 114 GLN C C 175.4444 . . 950 . 114 GLN CA C 59.3470 . . 951 . 114 GLN CB C 28.0140 . . 952 . 114 GLN CG C 33.9390 . . 953 . 114 GLN HB2 H 1.8700 . . 954 . 114 GLN HG2 H 3.0740 . . 955 . 114 GLN H H 8.8136 . . 956 . 114 GLN N N 117.2897 . . 957 . 115 GLN C C 180.6721 . . 958 . 115 GLN CA C 58.8653 . . 959 . 115 GLN CB C 28.3621 . . 960 . 115 GLN CG C 34.0840 . . 961 . 115 GLN HA H 4.1100 . . 962 . 115 GLN HB2 H 2.2780 . . 963 . 115 GLN HG2 H 2.6230 . . 964 . 115 GLN H H 7.8735 . . 965 . 115 GLN N N 115.1987 . . 966 . 116 LEU C C 178.0198 . . 967 . 116 LEU CA C 58.3580 . . 968 . 116 LEU CB C 41.7494 . . 969 . 116 LEU CD1 C 23.3090 . . 970 . 116 LEU CD2 C 23.5910 . . 971 . 116 LEU CG C 26.1150 . . 972 . 116 LEU HA H 4.0130 . . 973 . 116 LEU HB2 H 1.6510 . . 974 . 116 LEU HB3 H 1.0100 . . 975 . 116 LEU HD1 H 0.7120 . . 976 . 116 LEU HD2 H 0.6000 . . 977 . 116 LEU HG H 1.8420 . . 978 . 116 LEU H H 7.8820 . . 979 . 116 LEU N N 122.6012 . . 980 . 117 TRP C C 180.1829 . . 981 . 117 TRP CA C 62.7365 . . 982 . 117 TRP CB C 29.7385 . . 983 . 117 TRP HA H 3.8530 . . 984 . 117 TRP HB2 H 3.6370 . . 985 . 117 TRP HB3 H 2.8790 . . 986 . 117 TRP H H 8.8808 . . 987 . 117 TRP N N 121.1499 . . 988 . 118 LEU C C 180.4387 . . 989 . 118 LEU CA C 58.4236 . . 990 . 118 LEU CB C 43.0798 . . 991 . 118 LEU CD1 C 25.1140 . . 992 . 118 LEU CD2 C 26.9040 . . 993 . 118 LEU CG C 27.9960 . . 994 . 118 LEU HA H 4.3330 . . 995 . 118 LEU HB2 H 2.2520 . . 996 . 118 LEU HB3 H 1.5170 . . 997 . 118 LEU HD1 H 1.1100 . . 998 . 118 LEU HD2 H 1.1030 . . 999 . 118 LEU HG H 2.4330 . . 1000 . 118 LEU H H 8.6894 . . 1001 . 118 LEU N N 119.0657 . . 1002 . 119 ALA C C 181.6750 . . 1003 . 119 ALA CA C 54.8045 . . 1004 . 119 ALA CB C 18.1140 . . 1005 . 119 ALA HA H 4.1370 . . 1006 . 119 ALA HB H 1.5110 . . 1007 . 119 ALA H H 8.1492 . . 1008 . 119 ALA N N 122.8470 . . 1009 . 120 ALA C C 178.6428 . . 1010 . 120 ALA CA C 54.4827 . . 1011 . 120 ALA CB C 16.5330 . . 1012 . 120 ALA HA H 3.6860 . . 1013 . 120 ALA HB H 0.5177 . . 1014 . 120 ALA H H 7.9172 . . 1015 . 120 ALA N N 120.7458 . . 1016 . 121 PHE C C 178.0476 . . 1017 . 121 PHE CA C 62.3470 . . 1018 . 121 PHE CB C 40.2293 . . 1019 . 121 PHE HA H 3.9800 . . 1020 . 121 PHE HB3 H 3.0940 . . 1021 . 121 PHE H H 7.1980 . . 1022 . 121 PHE N N 111.6960 . . 1023 . 122 ALA C C 178.5956 . . 1024 . 122 ALA CA C 54.1460 . . 1025 . 122 ALA CB C 18.6070 . . 1026 . 122 ALA HA H 4.2660 . . 1027 . 122 ALA HB H 1.4860 . . 1028 . 122 ALA H H 7.6448 . . 1029 . 122 ALA N N 120.3207 . . 1030 . 123 ALA C C 178.4141 . . 1031 . 123 ALA CA C 51.8925 . . 1032 . 123 ALA CB C 19.4131 . . 1033 . 123 ALA HA H 4.3110 . . 1034 . 123 ALA HB H 1.2570 . . 1035 . 123 ALA H H 7.2331 . . 1036 . 123 ALA N N 117.9258 . . 1037 . 124 LEU CA C 54.3826 . . 1038 . 124 LEU CB C 40.2639 . . 1039 . 124 LEU CD1 C 26.9610 . . 1040 . 124 LEU CD2 C 23.8880 . . 1041 . 124 LEU CG C 27.4630 . . 1042 . 124 LEU HA H 4.3270 . . 1043 . 124 LEU HB2 H 1.8180 . . 1044 . 124 LEU HB3 H 1.4980 . . 1045 . 124 LEU HD1 H 0.8600 . . 1046 . 124 LEU HD2 H 0.7810 . . 1047 . 124 LEU HG H 1.8880 . . 1048 . 124 LEU H H 7.3698 . . 1049 . 124 LEU N N 119.7534 . . 1050 . 125 PRO C C 178.6455 . . 1051 . 125 PRO CA C 64.0830 . . 1052 . 125 PRO CB C 31.8570 . . 1053 . 125 PRO CD C 50.6700 . . 1054 . 125 PRO CG C 27.6270 . . 1055 . 125 PRO HA H 4.3695 . . 1056 . 125 PRO HB2 H 2.2680 . . 1057 . 125 PRO HB3 H 1.8700 . . 1058 . 125 PRO HD2 H 3.8590 . . 1059 . 125 PRO HD3 H 3.5500 . . 1060 . 126 GLY C C 179.2965 . . 1061 . 126 GLY CA C 45.7798 . . 1062 . 126 GLY HA2 H 3.8500 . . 1063 . 126 GLY H H 8.4831 . . 1064 . 126 GLY N N 108.5897 . . 1065 . 127 SER C C 175.3038 . . 1066 . 127 SER CA C 58.8248 . . 1067 . 127 SER CB C 64.0717 . . 1068 . 127 SER HA H 4.2950 . . 1069 . 127 SER HB2 H 3.8490 . . 1070 . 127 SER H H 7.8780 . . 1071 . 127 SER N N 115.0845 . . 1072 . 128 ALA C C 178.1231 . . 1073 . 128 ALA CA C 52.6221 . . 1074 . 128 ALA CB C 19.6154 . . 1075 . 128 ALA HA H 4.2820 . . 1076 . 128 ALA HB H 1.3440 . . 1077 . 128 ALA H H 8.0565 . . 1078 . 128 ALA N N 124.9357 . . 1079 . 129 LYS C C 176.8063 . . 1080 . 129 LYS CA C 56.2056 . . 1081 . 129 LYS CB C 33.3940 . . 1082 . 129 LYS CD C 29.1780 . . 1083 . 129 LYS CE C 42.4050 . . 1084 . 129 LYS CG C 24.7020 . . 1085 . 129 LYS HA H 4.1860 . . 1086 . 129 LYS HB2 H 1.7000 . . 1087 . 129 LYS HG2 H 1.3570 . . 1088 . 129 LYS H H 8.0407 . . 1089 . 129 LYS N N 119.7451 . . 1090 . 130 ASP CA C 52.3668 . . 1091 . 130 ASP CB C 41.7432 . . 1092 . 130 ASP HA H 4.8170 . . 1093 . 130 ASP HB2 H 2.4280 . . 1094 . 130 ASP H H 7.8140 . . 1095 . 130 ASP N N 122.8587 . . 1096 . 131 PRO C C 178.0178 . . 1097 . 131 PRO CA C 63.9280 . . 1098 . 131 PRO CB C 32.1350 . . 1099 . 131 PRO CD C 51.0280 . . 1100 . 131 PRO CG C 27.3850 . . 1101 . 131 PRO HA H 4.3585 . . 1102 . 131 PRO HB2 H 2.1700 . . 1103 . 131 PRO HB3 H 1.7720 . . 1104 . 131 PRO HD2 H 3.7880 . . 1105 . 131 PRO HD3 H 3.7300 . . 1106 . 132 SER C C 175.3046 . . 1107 . 132 SER CA C 59.2296 . . 1108 . 132 SER CB C 63.6983 . . 1109 . 132 SER HA H 4.3460 . . 1110 . 132 SER HB2 H 3.8310 . . 1111 . 132 SER HB3 H 3.8330 . . 1112 . 132 SER H H 8.4694 . . 1113 . 132 SER N N 115.0615 . . 1114 . 133 TRP C C 175.6995 . . 1115 . 133 TRP CA C 57.0538 . . 1116 . 133 TRP CB C 29.8281 . . 1117 . 133 TRP HA H 4.6760 . . 1118 . 133 TRP HB2 H 3.3420 . . 1119 . 133 TRP HB3 H 3.2260 . . 1120 . 133 TRP H H 7.8456 . . 1121 . 133 TRP N N 122.8513 . . 1122 . 134 ALA CA C 54.0486 . . 1123 . 134 ALA CB C 20.6376 . . 1124 . 134 ALA HA H 4.1010 . . 1125 . 134 ALA HB H 1.2380 . . 1126 . 134 ALA H H 7.5930 . . 1127 . 134 ALA N N 130.6308 . . stop_ save_