data_6903 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of M-crystallin: a novel Ca2+ binding protein of the bg-crystallin superfamily from Methanosarcina acetivorans ; _BMRB_accession_number 6903 _BMRB_flat_file_name bmr6903.str _Entry_type original _Submission_date 2005-11-16 _Accession_date 2005-11-16 _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 Barnwal Ravi P. . 2 Jobby M. . . 3 Sharma Yogendra . . 4 Chary Kandala V.R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 438 "13C chemical shifts" 309 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-15 original author 'original release' 2006-11-02 update author 'update the chemical shifts' 2007-01-04 update author 'update the entry citation' stop_ loop_ _Related_BMRB_accession_number _Relationship 6904 'holo form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment of M-crystallin: A Novel Ca(2+) Binding Protein of the betagamma-crystallin Superfamily from Methanosarcina acetivorans. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16607466 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barnwal Ravi P. . 2 Jobby M. . . 3 Sharma Yogendra . . 4 Chary Kandala V.R. . 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 32 _Page_last 32 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_system_Crystallin_(APO) _Saveframe_category molecular_system _Mol_system_name 'M-crystallin Ca2+ free form (APO)' _Abbreviation_common 'Crystallin (APO)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label M-Crystallin $M-Crystallin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_M-Crystallin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M-Crystallin _Abbreviation_common M-Crystallin _Molecular_mass 9376.2 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MNAAEVIVYEHVNFGGKSFD ATSDQPGAGDNLNDKISSIK VKSGTWRFYEYINYGGRYWD LGPGEYSSVESAGIPDNSIS SFRQI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 ALA 4 ALA 5 GLU 6 VAL 7 ILE 8 VAL 9 TYR 10 GLU 11 HIS 12 VAL 13 ASN 14 PHE 15 GLY 16 GLY 17 LYS 18 SER 19 PHE 20 ASP 21 ALA 22 THR 23 SER 24 ASP 25 GLN 26 PRO 27 GLY 28 ALA 29 GLY 30 ASP 31 ASN 32 LEU 33 ASN 34 ASP 35 LYS 36 ILE 37 SER 38 SER 39 ILE 40 LYS 41 VAL 42 LYS 43 SER 44 GLY 45 THR 46 TRP 47 ARG 48 PHE 49 TYR 50 GLU 51 TYR 52 ILE 53 ASN 54 TYR 55 GLY 56 GLY 57 ARG 58 TYR 59 TRP 60 ASP 61 LEU 62 GLY 63 PRO 64 GLY 65 GLU 66 TYR 67 SER 68 SER 69 VAL 70 GLU 71 SER 72 ALA 73 GLY 74 ILE 75 PRO 76 ASP 77 ASN 78 SER 79 ILE 80 SER 81 SER 82 PHE 83 ARG 84 GLN 85 ILE 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 15918 M-crystallin_(calcium_bound)_in_presence_of_4M_Gdn-HCl 100.00 85 100.00 100.00 6.12e-54 BMRB 15934 M-crystallin_in_6M_Gdn-HCl 100.00 85 100.00 100.00 6.12e-54 BMRB 6904 M-Crystallin 100.00 85 100.00 100.00 6.12e-54 PDB 2K1W "Nmr Solution Structure Of M-Crystallin In Calcium Loaded Form(Holo)." 100.00 85 100.00 100.00 6.12e-54 PDB 2K1X "Nmr Solution Structure Of M-Crystallin In Calcium Free Form (Apo)" 100.00 85 100.00 100.00 6.12e-54 PDB 3HZ2 "Crystal Structure Of A Betagamma-Crystallin From An Archaea" 98.82 84 100.00 100.00 7.37e-53 GB AAM05909 "beta/gama crystallin family protein [Methanosarcina acetivorans C2A]" 100.00 120 98.82 100.00 2.71e-53 REF NP_617429 "beta/gama crystallin family protein [Methanosarcina acetivorans C2A]" 100.00 120 98.82 100.00 2.71e-53 REF WP_011022494 "beta/gama crystallin family protein [Methanosarcina acetivorans]" 100.00 120 98.82 100.00 2.71e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M-Crystallin 'Methanosarcina acetivorans' 2214 Archaea . Methanosarcina acetivorans 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 $M-Crystallin 'recombinant technology' . . . . . 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 $M-Crystallin 1.1 mM '[U-99% 15N]' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M-Crystallin 0.9 mN '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version '97 software' _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Biospin _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_1H-15N_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 $Sample_2 stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name M-Crystallin _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 . 2 ASN HB2 H 2.710 0.0500 1 2 . 2 ASN HB3 H 2.6080 0.0500 1 3 . 2 ASN HA H 4.6341 0.0500 1 4 . 2 ASN C C 171.397 0.1500 1 5 . 2 ASN CA C 49.630 0.1500 1 6 . 2 ASN CB C 35.670 0.1500 1 7 . 3 ALA H H 8.3990 0.0500 1 8 . 3 ALA HA H 4.1880 0.0500 1 9 . 3 ALA HB H 1.2990 0.0500 1 10 . 3 ALA C C 173.683 0.1500 1 11 . 3 ALA CA C 49.5540 0.1500 1 12 . 3 ALA CB C 15.5390 0.1500 1 13 . 3 ALA N N 125.070 0.1500 1 14 . 4 ALA H H 8.0590 0.0500 1 15 . 4 ALA HA H 4.6950 0.0500 1 16 . 4 ALA HB H 1.1870 0.0500 1 17 . 4 ALA C C 170.820 0.1500 1 18 . 4 ALA CA C 48.9970 0.1500 1 19 . 4 ALA CB C 16.5000 0.1500 1 20 . 4 ALA N N 124.066 0.1500 1 21 . 5 GLU H H 8.3590 0.0500 1 22 . 5 GLU HA H 4.6351 0.0500 1 23 . 5 GLU HB2 H 2.7428 0.0500 1 24 . 5 GLU HB3 H 2.6740 0.0500 1 25 . 5 GLU HG2 H 1.8072 0.0500 1 26 . 5 GLU HG3 H 1.6591 0.0500 1 27 . 5 GLU C C 169.035 0.1500 1 28 . 5 GLU CA C 53.1320 0.1500 1 29 . 5 GLU CB C 28.9980 0.1500 1 30 . 5 GLU CG C 37.5800 0.1500 1 31 . 5 GLU N N 121.254 0.1500 1 32 . 6 VAL H H 8.7700 0.0500 1 33 . 6 VAL HA H 4.6880 0.0500 1 34 . 6 VAL HB H 2.0480 0.0500 1 35 . 6 VAL HG1 H -0.4640 0.0500 1 36 . 6 VAL HG2 H 0.0878 0.0500 1 37 . 6 VAL C C 167.419 0.1500 1 38 . 6 VAL CA C 55.4600 0.1500 1 39 . 6 VAL CB C 31.1650 0.1500 1 40 . 6 VAL CG1 C 16.2034 0.1500 1 41 . 6 VAL CG2 C 19.4122 0.1500 1 42 . 6 VAL N N 127.330 0.1500 1 43 . 7 ILE H H 8.9500 0.0500 1 44 . 7 ILE HA H 4.8210 0.0500 1 45 . 7 ILE HB H 1.5770 0.0500 1 46 . 7 ILE HG12 H 1.2586 0.0500 1 47 . 7 ILE HG13 H 0.8735 0.0500 1 48 . 7 ILE HG2 H 0.2889 0.0500 1 49 . 7 ILE HD1 H 0.6619 0.0500 1 50 . 7 ILE C C 172.571 0.1500 1 51 . 7 ILE CA C 56.6100 0.1500 1 52 . 7 ILE CB C 36.2700 0.1500 1 53 . 7 ILE CG1 C 24.0450 0.1500 1 54 . 7 ILE CG2 C 14.9810 0.1500 1 55 . 7 ILE CD1 C 11.1579 0.1500 1 56 . 7 ILE N N 125.010 0.1500 1 57 . 8 VAL H H 8.3800 0.0500 1 58 . 8 VAL HA H 4.9020 0.0500 1 59 . 8 VAL HB H 2.0910 0.0500 1 60 . 8 VAL HG1 H 0.5060 0.0500 1 61 . 8 VAL HG2 H 0.9600 0.0500 1 62 . 8 VAL C C 171.174 0.1500 1 63 . 8 VAL CA C 55.6500 0.1500 1 64 . 8 VAL CB C 30.4500 0.1500 1 65 . 8 VAL CG1 C 18.8980 0.1500 1 66 . 8 VAL CG2 C 15.7780 0.1500 1 67 . 8 VAL N N 117.850 0.1500 1 68 . 9 TYR H H 8.2200 0.0500 1 69 . 9 TYR HA H 5.051 0.0500 1 70 . 9 TYR HB2 H 3.0420 0.0500 1 71 . 9 TYR HB3 H 3.1400 0.0500 1 72 . 9 TYR HD1 H 6.5410 0.0500 1 73 . 9 TYR HD2 H 6.5410 0.0500 1 74 . 9 TYR HE1 H 6.7570 0.0500 1 75 . 9 TYR HE2 H 6.7570 0.0500 1 76 . 9 TYR C C 173.047 0.1500 1 77 . 9 TYR CA C 53.860 0.1500 1 78 . 9 TYR CB C 37.195 0.1500 1 79 . 9 TYR N N 118.59 0.1500 1 80 . 10 GLU H H 8.415 0.0500 1 81 . 10 GLU HA H 4.248 0.0500 1 82 . 10 GLU HB2 H 1.687 0.0500 1 83 . 10 GLU HB3 H 1.627 0.0500 1 84 . 10 GLU HG2 H 1.943 0.0500 1 85 . 10 GLU C C 172.89 0.1500 1 86 . 10 GLU CA C 54.960 0.1500 1 87 . 10 GLU CB C 28.973 0.1500 1 88 . 10 GLU CG C 31.744 0.1500 1 89 . 10 GLU N N 122.160 0.1500 1 90 . 11 HIS H H 7.857 0.0500 1 91 . 11 HIS HA H 5.297 0.0500 1 92 . 11 HIS HB2 H 3.0830 0.0500 1 93 . 11 HIS HB3 H 2.3610 0.0500 1 94 . 11 HIS HD2 H 6.5900 0.0500 1 95 . 11 HIS HE2 H 7.5460 0.0500 1 96 . 11 HIS HE1 H 7.0080 0.0500 1 97 . 11 HIS HD1 H 7.0850 0.0500 1 98 . 11 HIS C C 173.866 0.1500 1 99 . 11 HIS CA C 49.48 0.1500 1 100 . 11 HIS CB C 31.22 0.1500 1 101 . 11 HIS N N 113.10 0.1500 1 102 . 12 VAL H H 8.4860 0.0500 1 103 . 12 VAL HA H 3.6910 0.0500 1 104 . 12 VAL HB H 2.1470 0.0500 1 105 . 12 VAL HG1 H 1.0250 0.0500 1 106 . 12 VAL HG2 H 0.7380 0.0500 1 107 . 12 VAL C C 172.3020 0.1500 1 108 . 12 VAL CA C 59.0160 0.1500 1 109 . 12 VAL CB C 28.9590 0.1500 1 110 . 12 VAL CG1 C 18.4650 0.1500 1 111 . 12 VAL CG2 C 14.6458 0.1500 1 112 . 12 VAL N N 115.6100 0.1500 1 113 . 13 ASN H H 9.4100 0.0500 1 114 . 13 ASN HA H 4.7372 0.0500 1 115 . 13 ASN HB2 H 3.0950 0.0500 1 116 . 13 ASN HB3 H 2.6010 0.0500 1 117 . 13 ASN C C 171.0370 0.1500 1 118 . 13 ASN CA C 50.6170 0.1500 1 119 . 13 ASN CB C 33.1470 0.1500 1 120 . 13 ASN N N 115.6500 0.1500 1 121 . 14 PHE H H 7.3300 0.1500 1 122 . 14 PHE HB3 H 1.5970 0.0500 1 123 . 14 PHE HA H 3.0170 0.0500 1 124 . 14 PHE HB2 H 2.6910 0.0500 1 125 . 14 PHE HD1 H 6.5060 0.0500 1 126 . 14 PHE HE1 H 6.9010 0.0500 1 127 . 14 PHE C C 172.7940 0.1500 1 128 . 14 PHE CA C 52.4000 0.1500 1 129 . 14 PHE CB C 31.0800 0.1500 1 130 . 14 PHE N N 111.9640 0.1500 1 131 . 15 GLY H H 6.5660 0.0500 1 132 . 15 GLY HA2 H 4.5130 0.0500 1 133 . 15 GLY HA3 H 3.6650 0.0500 1 134 . 15 GLY C C 170.0690 0.1500 1 135 . 15 GLY CA C 40.7450 0.1500 1 136 . 15 GLY N N 104.9700 0.1500 1 137 . 16 GLY H H 8.2940 0.0500 1 138 . 16 GLY HA2 H 4.5220 0.0500 1 139 . 16 GLY HA3 H 3.7753 0.0500 1 140 . 16 GLY C C 171.3320 0.1500 1 141 . 16 GLY CA C 41.6990 0.1500 1 142 . 16 GLY N N 104.9700 0.1500 1 143 . 17 LYS H H 8.9720 0.0500 1 144 . 17 LYS HA H 4.0870 0.0500 1 145 . 17 LYS HB2 H 1.6200 0.0500 1 146 . 17 LYS HG2 H 1.3766 0.0500 1 147 . 17 LYS HG3 H 1.4718 0.0500 1 148 . 17 LYS HE2 H 2.9059 0.0500 1 149 . 17 LYS HD2 H 1.5866 0.0500 1 150 . 17 LYS C C 172.2730 0.1500 1 151 . 17 LYS CA C 54.6300 0.1500 1 152 . 17 LYS CB C 29.8030 0.1500 1 153 . 17 LYS CE C 38.7205 0.1500 1 154 . 17 LYS CD C 25.7692 0.1500 1 155 . 17 LYS CG C 21.8460 0.1500 1 156 . 17 LYS N N 122.2900 0.1500 1 157 . 18 SER H H 8.1180 0.0500 1 158 . 18 SER HA H 5.2970 0.0500 1 159 . 18 SER HB2 H 3.3180 0.0500 1 160 . 18 SER HB3 H 2.9280 0.0500 1 161 . 18 SER C C 170.8470 0.1500 1 162 . 18 SER CA C 52.1270 0.1500 1 163 . 18 SER CB C 64.8570 0.1500 1 164 . 18 SER N N 114.9250 0.1500 1 165 . 19 PHE H H 8.3390 0.0500 1 166 . 19 PHE HA H 4.6340 0.0500 1 167 . 19 PHE HB2 H 2.9100 0.0500 1 168 . 19 PHE HB3 H 2.7310 0.0500 1 169 . 19 PHE HE1 H 7.1100 0.0500 1 170 . 19 PHE HD1 H 7.0460 0.0500 1 171 . 19 PHE C C 168.9850 0.1500 1 172 . 19 PHE CA C 53.9200 0.1500 1 173 . 19 PHE CB C 37.9610 0.1500 1 174 . 19 PHE N N 121.1000 0.1500 1 175 . 20 ASP H H 7.9640 0.0500 1 176 . 20 ASP HA H 4.8663 0.0500 1 177 . 20 ASP HB2 H 2.3988 0.0500 1 178 . 20 ASP HB3 H 2.2920 0.0500 1 179 . 20 ASP C C 170.0390 0.1500 1 180 . 20 ASP CA C 48.3800 0.1500 1 181 . 20 ASP CB C 37.2300 0.1500 1 182 . 20 ASP N N 127.0820 0.1500 1 183 . 21 ALA H H 9.3500 0.0500 1 184 . 21 ALA HA H 4.6720 0.0500 1 185 . 21 ALA HB H 1.5800 0.0500 1 186 . 21 ALA C C 173.1380 0.1500 1 187 . 21 ALA CA C 47.7950 0.1500 1 188 . 21 ALA CB C 18.4710 0.1500 1 189 . 21 ALA N N 128.4090 0.1500 1 190 . 22 THR H H 8.6860 0.0500 1 191 . 22 THR HA H 5.0870 0.0500 1 192 . 22 THR HB H 4.6570 0.0500 1 193 . 22 THR HG2 H 1.1310 0.0500 1 194 . 22 THR C C 170.7430 0.1500 1 195 . 22 THR CA C 56.4960 0.1500 1 196 . 22 THR CB C 65.8700 0.1500 1 197 . 22 THR CG2 C 17.3411 0.1500 1 198 . 22 THR N N 110.3540 0.1500 1 199 . 23 SER H H 7.8680 0.0500 1 200 . 23 SER HA H 4.7260 0.0500 1 201 . 23 SER HB2 H 3.9130 0.0500 1 202 . 23 SER HB3 H 3.8080 0.0500 1 203 . 23 SER HG H 6.5540 0.0500 1 204 . 23 SER C C 169.8470 0.1500 1 205 . 23 SER CA C 53.3720 0.1500 1 206 . 23 SER CB C 62.7460 0.1500 1 207 . 23 SER N N 114.9250 0.1500 1 208 . 24 ASP H H 8.3700 0.0500 1 209 . 24 ASP HA H 4.5600 0.0500 1 210 . 24 ASP HB2 H 2.4820 0.0500 1 211 . 24 ASP HB3 H 3.1340 0.0500 1 212 . 24 ASP C C 172.4410 0.1500 1 213 . 24 ASP CA C 53.2950 0.1500 1 214 . 24 ASP CB C 37.2920 0.1500 1 215 . 24 ASP N N 121.6050 0.1500 1 216 . 25 GLN H H 8.6790 0.0500 1 217 . 25 GLN HA H 4.7180 0.0500 1 218 . 25 GLN HB2 H 1.4020 0.0500 1 219 . 25 GLN HB3 H 0.6110 0.0500 1 220 . 25 GLN HG2 H 2.4790 0.0500 1 221 . 25 GLN HG3 H 1.8230 0.0500 1 222 . 25 GLN C C 172.2470 0.1500 1 223 . 25 GLN CA C 47.8700 0.1500 1 224 . 25 GLN CB C 25.2680 0.1500 1 225 . 25 GLN CG C 30.0110 0.1500 1 226 . 25 GLN N N 118.7930 0.1500 1 227 . 26 PRO HA H 3.8040 0.0500 1 228 . 26 PRO HB2 H 1.8987 0.0500 1 229 . 26 PRO HB3 H 1.8767 0.0500 1 230 . 26 PRO HG2 H 1.8249 0.0500 1 231 . 26 PRO HD2 H 3.7563 0.0500 1 232 . 26 PRO HD3 H 3.4377 0.0500 1 233 . 26 PRO C C 173.5920 0.1500 1 234 . 26 PRO CA C 60.5000 0.1500 1 235 . 26 PRO CB C 27.9260 0.1500 1 236 . 26 PRO CD C 47.1650 0.1500 1 237 . 26 PRO CG C 23.1249 0.1500 1 238 . 27 GLY H H 8.0930 0.0500 1 239 . 27 GLY HA2 H 4.1030 0.0500 1 240 . 27 GLY HA3 H 3.6990 0.0500 1 241 . 27 GLY C C 170.8380 0.1500 1 242 . 27 GLY CA C 42.1300 0.1500 1 243 . 27 GLY N N 107.1900 0.1500 1 244 . 28 ALA H H 7.5410 0.0500 1 245 . 28 ALA HA H 4.0960 0.0500 1 246 . 28 ALA HB H 1.2650 0.0500 1 247 . 28 ALA C C 174.5980 0.1500 1 248 . 28 ALA CA C 49.5540 0.1500 1 249 . 28 ALA CB C 16.1250 0.1500 1 250 . 28 ALA N N 121.6050 0.1500 1 251 . 29 GLY H H 8.3320 0.0500 1 252 . 29 GLY HA2 H 4.6830 0.0500 1 253 . 29 GLY HA3 H 3.7760 0.0500 1 254 . 29 GLY C C 171.0780 0.1500 1 255 . 29 GLY CA C 42.1220 0.1500 1 256 . 29 GLY N N 108.2450 0.1500 1 257 . 30 ASP H H 7.9800 0.1500 1 258 . 30 ASP HA H 4.4460 0.0500 1 259 . 30 ASP HB2 H 2.4830 0.0500 1 260 . 30 ASP HB3 H 2.3444 0.0500 1 261 . 30 ASP C C 172.9650 0.1500 1 262 . 30 ASP CA C 51.2500 0.1500 1 263 . 30 ASP CB C 38.4070 0.1500 1 264 . 30 ASP N N 120.1990 0.1500 1 265 . 31 ASN H H 8.1560 0.0500 1 266 . 31 ASN HA H 4.4400 0.0500 1 267 . 31 ASN HB2 H 2.6300 0.0500 1 268 . 31 ASN HB3 H 2.4870 0.0500 1 269 . 31 ASN C C 171.9240 0.1500 1 270 . 31 ASN CA C 50.5900 0.1500 1 271 . 31 ASN CB C 35.4070 0.1500 1 272 . 31 ASN N N 116.6830 0.1500 1 273 . 32 LEU H H 7.8960 0.0500 1 274 . 32 LEU HA H 4 0.0500 1 275 . 32 LEU HB2 H 1.4420 0.0500 1 276 . 32 LEU HG H 1.3908 0.0500 1 277 . 32 LEU HD1 H 0.6500 0.0500 1 278 . 32 LEU HD2 H 0.5785 0.0500 1 279 . 32 LEU C C 173.6350 0.1500 1 280 . 32 LEU CA C 52.2280 0.1500 1 281 . 32 LEU CB C 38.3720 0.1500 1 282 . 32 LEU CG C 23.6100 0.1500 1 283 . 32 LEU CD1 C 21.1000 0.1500 1 284 . 32 LEU CD2 C 20.6924 0.1500 1 285 . 32 LEU N N 120.5510 0.1500 1 286 . 33 ASN H H 8.0640 0.0500 1 287 . 33 ASN HA H 4.4450 0.0500 1 288 . 33 ASN HB2 H 2.5880 0.0500 1 289 . 33 ASN HB3 H 2.4400 0.0500 1 290 . 33 ASN C C 172.1550 0.1500 1 291 . 33 ASN CA C 51.3450 0.1500 1 292 . 33 ASN CB C 35.4530 0.1500 1 293 . 33 ASN N N 117.9410 0.1500 1 294 . 34 ASP H H 8.0200 0.0500 1 295 . 34 ASP HA H 4.4340 0.0500 1 296 . 34 ASP HB2 H 2.1530 0.0500 1 297 . 34 ASP HB3 H 1.7150 0.0500 1 298 . 34 ASP C C 171.9760 0.1500 1 299 . 34 ASP CA C 51.0910 0.1500 1 300 . 34 ASP CB C 38.0720 0.1500 1 301 . 34 ASP N N 118.7940 0.1500 1 302 . 35 LYS H H 7.8990 0.0500 1 303 . 35 LYS HA H 4.3390 0.0500 1 304 . 35 LYS HB2 H 1.7360 0.0500 1 305 . 35 LYS HB3 H 1.5950 0.0500 1 306 . 35 LYS HG2 H 1.4290 0.0500 1 307 . 35 LYS HG3 H 1.5500 0.0500 1 308 . 35 LYS HE2 H 2.4930 0.0500 1 309 . 35 LYS HE3 H 2.4930 0.0500 1 310 . 35 LYS C C 173.6740 0.1500 1 311 . 35 LYS CA C 52.2390 0.1500 1 312 . 35 LYS CB C 30.9440 0.1500 1 313 . 35 LYS N N 119.6990 0.1500 1 314 . 36 ILE H H 7.9140 0.0500 1 315 . 36 ILE HA H 4.1957 0.0500 1 316 . 36 ILE HB H 1.5679 0.0500 1 317 . 36 ILE HG12 H 0.8199 0.0500 1 318 . 36 ILE HG2 H 0.5900 0.0500 1 319 . 36 ILE HD1 H 0.7962 0.0500 1 320 . 36 ILE C C 172.9820 0.1500 1 321 . 36 ILE CA C 58.0770 0.1500 1 322 . 36 ILE CB C 36.4690 0.1500 1 323 . 36 ILE CG1 C 23.9151 0.1500 1 324 . 36 ILE CG2 C 14.1140 0.1500 1 325 . 36 ILE CD1 C 10.8662 0.1500 1 326 . 36 ILE N N 120.5510 0.1500 1 327 . 37 SER H H 8.8060 0.0500 1 328 . 37 SER HA H 4.7460 0.0500 1 329 . 37 SER HB2 H 3.7910 0.0500 1 330 . 37 SER HB3 H 3.0280 0.0500 1 331 . 37 SER C C 170.4390 0.1500 1 332 . 37 SER CA C 55.7800 0.1500 1 333 . 37 SER CB C 62.4140 0.1500 1 334 . 37 SER N N 119.4960 0.1500 1 335 . 38 SER H H 7.8920 0.0500 1 336 . 38 SER HA H 4.8860 0.0500 1 337 . 38 SER HB2 H 4.0090 0.0500 1 338 . 38 SER HB3 H 3.6660 0.0500 1 339 . 38 SER C C 170.1850 0.1500 1 340 . 38 SER CA C 56.2980 0.1500 1 341 . 38 SER CB C 61.2000 0.1500 1 342 . 38 SER N N 111.4990 0.1500 1 343 . 39 ILE H H 8.4480 0.0500 1 344 . 39 ILE HA H 5.0380 0.0500 1 345 . 39 ILE HB H 1.2690 0.0500 1 346 . 39 ILE HG12 H 0.8335 0.0500 1 347 . 39 ILE HG13 H 0.5300 0.0500 1 348 . 39 ILE HG2 H 0.4628 0.0500 1 349 . 39 ILE HD1 H -0.3570 0.0500 1 350 . 39 ILE C C 171.8000 0.1500 1 351 . 39 ILE CA C 58.3950 0.1500 1 352 . 39 ILE CB C 42.6200 0.1500 1 353 . 39 ILE CG1 C 24.5660 0.1500 1 354 . 39 ILE CG2 C 15.0398 0.1500 1 355 . 39 ILE CD1 C 10.0955 0.1500 1 356 . 39 ILE N N 117.3860 0.1500 1 357 . 40 LYS H H 9.7450 0.0500 1 358 . 40 LYS HA H 4.9510 0.0500 1 359 . 40 LYS HB2 H 1.6700 0.0500 1 360 . 40 LYS HB3 H 1.5200 0.0500 1 361 . 40 LYS HG2 H 1.1950 0.0500 1 362 . 40 LYS HG3 H 0.5528 0.0500 1 363 . 40 LYS C C 172.1950 0.1500 1 364 . 40 LYS CA C 53.0300 0.1500 1 365 . 40 LYS CB C 31.4970 0.1500 1 366 . 40 LYS CE C 36.9310 0.1500 1 367 . 40 LYS CD C 26.5510 0.1500 1 368 . 40 LYS CG C 23.9000 0.1500 1 369 . 40 LYS N N 125.8250 0.1500 1 370 . 41 VAL H H 9.0480 0.0500 1 371 . 41 VAL HA H 4.0770 0.0500 1 372 . 41 VAL HB H 2.5750 0.0500 1 373 . 41 VAL HG1 H 0.9880 0.0500 1 374 . 41 VAL HG2 H 0.8880 0.0500 1 375 . 41 VAL C C 173.6420 0.1500 1 376 . 41 VAL CA C 59.4500 0.1500 1 377 . 41 VAL CB C 28.0850 0.1500 1 378 . 41 VAL CG1 C 20.2105 0.1500 1 379 . 41 VAL CG2 C 17.3477 0.1500 1 380 . 41 VAL N N 125.4730 0.1500 1 381 . 42 LYS H H 8.2670 0.0500 1 382 . 42 LYS HA H 4.1370 0.0500 1 383 . 42 LYS HB2 H 1.8160 0.0500 1 384 . 42 LYS HB3 H 1.6320 0.0500 1 385 . 42 LYS HG2 H 1.2780 0.0500 1 386 . 42 LYS HG3 H 1.1723 0.0500 1 387 . 42 LYS HD2 H 1.4515 0.0500 1 388 . 42 LYS HD3 H 1.3963 0.0500 1 389 . 42 LYS HE2 H 2.7489 0.0500 1 390 . 42 LYS HE3 H 2.6812 0.0500 1 391 . 42 LYS C C 174.1220 0.1500 1 392 . 42 LYS CA C 54.1720 0.1500 1 393 . 42 LYS CB C 29.3140 0.1500 1 394 . 42 LYS CE C 38.2703 0.1500 1 395 . 42 LYS CD C 24.9891 0.1500 1 396 . 42 LYS CG C 21.2458 0.1500 1 397 . 42 LYS N N 128.2860 0.1500 1 398 . 43 SER H H 8.1350 0.0500 1 399 . 43 SER HA H 4.4370 0.0500 1 400 . 43 SER HB2 H 3.8890 0.0500 1 401 . 43 SER HB3 H 3.7806 0.0500 1 402 . 43 SER C C 171.0040 0.1500 1 403 . 43 SER CA C 54.6220 0.1500 1 404 . 43 SER CB C 60.6970 0.1500 1 405 . 43 SER N N 110.3540 0.1500 1 406 . 44 GLY H H 8.6310 0.0500 1 407 . 44 GLY HA2 H 4.0990 0.0500 1 408 . 44 GLY HA3 H 3.6680 0.0500 1 409 . 44 GLY C C 167.1750 0.1500 1 410 . 44 GLY CA C 40.8730 0.1500 1 411 . 44 GLY N N 113.8700 0.1500 1 412 . 45 THR H H 7.8960 0.0500 1 413 . 45 THR HA H 4.8750 0.0500 1 414 . 45 THR HB H 3.6770 0.0500 1 415 . 45 THR HG2 H 0.9570 0.0500 1 416 . 45 THR C C 170.2730 0.1500 1 417 . 45 THR CA C 58.9960 0.1500 1 418 . 45 THR CB C 66.4950 0.1500 1 419 . 45 THR CG2 C 17.4800 0.1500 1 420 . 45 THR N N 111.4090 0.1500 1 421 . 46 TRP H H 8.7540 0.0500 1 422 . 46 TRP HA H 4.6510 0.0500 1 423 . 46 TRP HB2 H 2.6310 0.0500 1 424 . 46 TRP HB3 H 2.3440 0.0500 1 425 . 46 TRP HH2 H 7.1870 0.0500 1 426 . 46 TRP HD1 H 6.8540 0.0500 1 427 . 46 TRP HZ3 H 6.4280 0.0500 1 428 . 46 TRP HZ2 H 6.3390 0.0500 1 429 . 46 TRP HE3 H 6.9370 0.0500 1 430 . 46 TRP C C 168.9070 0.1500 1 431 . 46 TRP CA C 52.1220 0.1500 1 432 . 46 TRP CB C 28.9990 0.1500 1 433 . 46 TRP N N 126.1760 0.1500 1 434 . 47 ARG H H 9.1730 0.0500 1 435 . 47 ARG HA H 5.0580 0.0500 1 436 . 47 ARG HB2 H 1.3750 0.0500 1 437 . 47 ARG HB3 H 1.2773 0.0500 1 438 . 47 ARG HG2 H 1.0402 0.0500 1 439 . 47 ARG HG3 H 0.3220 0.0500 1 440 . 47 ARG HD2 H 2.2128 0.0500 1 441 . 47 ARG HD3 H 1.4118 0.0500 1 442 . 47 ARG C C 171.2900 0.1500 1 443 . 47 ARG CA C 51.5950 0.1500 1 444 . 47 ARG CB C 30.7820 0.1500 1 445 . 47 ARG CD C 39.7977 0.1500 1 446 . 47 ARG CG C 22.8440 0.1500 1 447 . 47 ARG N N 124.0660 0.1500 1 448 . 48 PHE H H 9.4430 0.0500 1 449 . 48 PHE HA H 5.0890 0.0500 1 450 . 48 PHE HB2 H 3.1870 0.0500 1 451 . 48 PHE HB3 H 3.1265 0.0500 1 452 . 48 PHE HD1 H 7.1900 0.0500 1 453 . 48 PHE HE1 H 6.4300 0.0500 1 454 . 48 PHE HZ H 7.3550 0.0500 1 455 . 48 PHE C C 171.7630 0.1500 1 456 . 48 PHE CA C 53.3870 0.1500 1 457 . 48 PHE CB C 37.5120 0.1500 1 458 . 48 PHE N N 125.8250 0.1500 1 459 . 49 TYR H H 9.4070 0.0500 1 460 . 49 TYR HA H 5.5290 0.0500 1 461 . 49 TYR HB2 H 3.5670 0.0500 1 462 . 49 TYR HB3 H 3.1410 0.0500 1 463 . 49 TYR HD1 H 6.6670 0.0500 1 464 . 49 TYR HD2 H 6.6670 0.0500 1 465 . 49 TYR HE1 H 6.9930 0.0500 1 466 . 49 TYR HE2 H 6.9930 0.0500 1 467 . 49 TYR C C 174.3600 0.1500 1 468 . 49 TYR CA C 54.2200 0.1500 1 469 . 49 TYR CB C 37.5300 0.1500 1 470 . 49 TYR N N 118.8800 0.1500 1 471 . 50 GLU H H 8.7760 0.0500 1 472 . 50 GLU HA H 4.9390 0.0500 1 473 . 50 GLU HB2 H 1.8910 0.0500 1 474 . 50 GLU HB3 H 1.7490 0.0500 1 475 . 50 GLU C C 174.1100 0.1500 1 476 . 50 GLU CA C 54.9160 0.1500 1 477 . 50 GLU CB C 28.3270 0.1500 1 478 . 50 GLU CG C 30.6822 0.1500 1 479 . 50 GLU N N 120.9020 0.1500 1 480 . 51 TYR H H 8.1110 0.0500 1 481 . 51 TYR HA H 5.4750 0.0500 1 482 . 51 TYR HB2 H 3.3000 0.0500 1 483 . 51 TYR HB3 H 2.3120 0.0500 1 484 . 51 TYR HD1 H 6.9270 0.0500 1 485 . 51 TYR HD2 H 6.9270 0.0500 1 486 . 51 TYR HE1 H 6.6960 0.0500 1 487 . 51 TYR HE2 H 6.6960 0.0500 1 488 . 51 TYR C C 174.5650 0.1500 1 489 . 51 TYR CA C 50.2700 0.1500 1 490 . 51 TYR CB C 38.0160 0.1500 1 491 . 51 TYR N N 116.3370 0.1500 1 492 . 52 ILE H H 8.5120 0.0500 1 493 . 52 ILE HA H 3.7000 0.0500 1 494 . 52 ILE HB H 1.8570 0.0500 1 495 . 52 ILE HG12 H 1.0770 0.0500 1 496 . 52 ILE HG2 H 0.9974 0.0500 1 497 . 52 ILE HD1 H 0.7130 0.0500 1 498 . 52 ILE C C 172.0110 0.1500 1 499 . 52 ILE CA C 59.1020 0.1500 1 500 . 52 ILE CB C 36.0800 0.1500 1 501 . 52 ILE CG1 C 21.9858 0.1500 1 502 . 52 ILE CG2 C 14.8071 0.1500 1 503 . 52 ILE CD1 C 10.6978 0.1500 1 504 . 52 ILE N N 116.3320 0.1500 1 505 . 53 ASN H H 9.5200 0.0500 1 506 . 53 ASN HA H 4.7190 0.0500 1 507 . 53 ASN HB2 H 2.6772 0.0500 1 508 . 53 ASN HB3 H 2.5330 0.0500 1 509 . 53 ASN C C 171.1210 0.1500 1 510 . 53 ASN CA C 50.4680 0.1500 1 511 . 53 ASN CB C 33.0190 0.1500 1 512 . 53 ASN N N 115.2770 0.1500 1 513 . 54 TYR H H 7.4700 0.0500 1 514 . 54 TYR HA H 2.8850 0.0500 1 515 . 54 TYR HB2 H 2.6320 0.0500 1 516 . 54 TYR HB3 H 1.4970 0.0500 1 517 . 54 TYR HE1 H 6.3950 0.0500 1 518 . 54 TYR HD1 H 6.4750 0.0500 1 519 . 54 TYR C C 172.4970 0.1500 1 520 . 54 TYR CA C 51.9060 0.1500 1 521 . 54 TYR CB C 30.1830 0.1500 1 522 . 54 TYR N N 111.7610 0.1500 1 523 . 55 GLY H H 6.5640 0.0500 1 524 . 55 GLY HA2 H 4.5200 0.0500 1 525 . 55 GLY HA3 H 3.6600 0.0500 1 526 . 55 GLY C C 170.0190 0.1500 1 527 . 55 GLY CA C 40.8840 0.1500 1 528 . 55 GLY N N 105.4320 0.1500 1 529 . 56 GLY H H 8.4200 0.0500 1 530 . 56 GLY HA2 H 3.8380 0.0500 1 531 . 56 GLY C C 171.9590 0.1500 1 532 . 56 GLY CA C 41.8400 0.1500 1 533 . 56 GLY N N 105.7800 0.1500 1 534 . 57 ARG H H 8.7260 0.0500 1 535 . 57 ARG HA H 3.5970 0.0500 1 536 . 57 ARG HB2 H 1.4623 0.0500 1 537 . 57 ARG HB3 H 1.3770 0.0500 1 538 . 57 ARG HG2 H 1.2690 0.0500 1 539 . 57 ARG HG3 H 0.9460 0.0500 1 540 . 57 ARG HD2 H 3.1393 0.0500 1 541 . 57 ARG HD3 H 2.9680 0.0500 1 542 . 57 ARG C C 169.6960 0.1500 1 543 . 57 ARG CA C 53.6100 0.1500 1 544 . 57 ARG CB C 28.6300 0.1500 1 545 . 57 ARG CD C 40.5190 0.1500 1 546 . 57 ARG CG C 23.1310 0.1500 1 547 . 57 ARG N N 120.5500 0.1500 1 548 . 58 TYR H H 6.1370 0.0500 1 549 . 58 TYR HA H 5.4290 0.0500 1 550 . 58 TYR HB2 H 1.9929 0.0500 1 551 . 58 TYR HB3 H 1.8445 0.0500 1 552 . 58 TYR HE1 H 6.5370 0.0500 1 553 . 58 TYR HE2 H 6.5370 0.0500 1 554 . 58 TYR HD1 H 6.3690 0.0500 1 555 . 58 TYR HD2 H 6.3690 0.0500 1 556 . 58 TYR C C 171.5140 0.1500 1 557 . 58 TYR CA C 50.8850 0.1500 1 558 . 58 TYR CB C 38.2280 0.1500 1 559 . 58 TYR N N 109.8540 0.1500 1 560 . 59 TRP H H 8.9460 0.0500 1 561 . 59 TRP HA H 4.4330 0.0500 1 562 . 59 TRP HB2 H 3 0.0500 1 563 . 59 TRP HB3 H 2.7890 0.0500 1 564 . 59 TRP HE3 H 7.3600 0.0500 1 565 . 59 TRP HZ3 H 6.5400 0.0500 1 566 . 59 TRP HH2 H 6.8700 0.0500 1 567 . 59 TRP HD1 H 6.9700 0.0500 1 568 . 59 TRP HZ2 H 6.5700 0.0500 1 569 . 59 TRP HE1 H 10.4270 0.0500 1 570 . 59 TRP C C 171.3440 0.1500 1 571 . 59 TRP CA C 55.3620 0.1500 1 572 . 59 TRP CB C 30.1570 0.1500 1 573 . 59 TRP N N 120.4020 0.1500 1 574 . 60 ASP H H 8.4730 0.0500 1 575 . 60 ASP HA H 5.8670 0.0500 1 576 . 60 ASP HB2 H 2.4850 0.0500 1 577 . 60 ASP HB3 H 2.1950 0.0500 1 578 . 60 ASP C C 174.1240 0.1500 1 579 . 60 ASP CA C 50.2140 0.1500 1 580 . 60 ASP CB C 38.9130 0.1500 1 581 . 60 ASP N N 123.6700 0.1500 1 582 . 61 LEU H H 9.5410 0.0500 1 583 . 61 LEU HA H 4.7640 0.0500 1 584 . 61 LEU HB2 H 1.6710 0.0500 1 585 . 61 LEU HB3 H 1.3180 0.0500 1 586 . 61 LEU HG H 1.2071 0.0500 1 587 . 61 LEU HD1 H 0.3310 0.0500 1 588 . 61 LEU HD2 H -0.2280 0.0500 1 589 . 61 LEU C C 172.7710 0.1500 1 590 . 61 LEU CA C 51.3540 0.1500 1 591 . 61 LEU CB C 43.1050 0.1500 1 592 . 61 LEU CG C 22.5470 0.1500 1 593 . 61 LEU CD1 C 20.6200 0.1500 1 594 . 61 LEU CD2 C 19.3359 0.1500 1 595 . 61 LEU N N 122.8100 0.1500 1 596 . 62 GLY H H 8.1520 0.0500 1 597 . 62 GLY HA2 H 4.9910 0.0500 1 598 . 62 GLY HA3 H 3.7650 0.0500 1 599 . 62 GLY C C 169.4270 0.1500 1 600 . 62 GLY CA C 40.3240 0.1500 1 601 . 62 GLY N N 108.2000 0.1500 1 602 . 63 PRO HA H 4.2930 0.0500 1 603 . 63 PRO HB2 H 2.1030 0.0500 1 604 . 63 PRO HB3 H 2.0259 0.0500 1 605 . 63 PRO HG2 H 1.8329 0.0500 1 606 . 63 PRO HG3 H 1.7713 0.0500 1 607 . 63 PRO HD2 H 3.8616 0.0500 1 608 . 63 PRO HD3 H 3.3342 0.0500 1 609 . 63 PRO C C 173.7600 0.1500 1 610 . 63 PRO CA C 60.3300 0.1500 1 611 . 63 PRO CB C 28.7300 0.1500 1 612 . 63 PRO CD C 46.3200 0.1500 1 613 . 63 PRO CG C 25.1100 0.1500 1 614 . 64 GLY H H 8.8100 0.0500 1 615 . 64 GLY HA2 H 3.8940 0.0500 1 616 . 64 GLY HA3 H 3.7660 0.0500 1 617 . 64 GLY C C 167.7600 0.1500 1 618 . 64 GLY CA C 41.4900 0.1500 1 619 . 64 GLY N N 111.6100 0.1500 1 620 . 65 GLU H H 8.0300 0.0500 1 621 . 65 GLU HA H 4.4240 0.0500 1 622 . 65 GLU HB2 H 1.6083 0.0500 1 623 . 65 GLU HB3 H 1.6966 0.0500 1 624 . 65 GLU HG2 H 1.7912 0.0500 1 625 . 65 GLU HG3 H 1.7510 0.0500 1 626 . 65 GLU C C 171.6300 0.1500 1 627 . 65 GLU CA C 52.5000 0.1500 1 628 . 65 GLU CB C 27.2900 0.1500 1 629 . 65 GLU CG C 32.5116 0.1500 1 630 . 65 GLU N N 118.0890 0.1500 1 631 . 66 TYR H H 9.0500 0.0500 1 632 . 66 TYR HA H 4.7600 0.0500 1 633 . 66 TYR HB2 H 2.9030 0.0500 1 634 . 66 TYR HB3 H 2.5690 0.0500 1 635 . 66 TYR HD1 H 6.7780 0.0500 1 636 . 66 TYR HD2 H 6.7780 0.0500 1 637 . 66 TYR HE1 H 6.5850 0.0500 1 638 . 66 TYR HE2 H 6.5850 0.0500 1 639 . 66 TYR C C 171.9200 0.1500 1 640 . 66 TYR CA C 53 0.1500 1 641 . 66 TYR CB C 33.3900 0.1500 1 642 . 66 TYR N N 123.7100 0.1500 1 643 . 67 SER H H 8.7600 0.0500 1 644 . 67 SER HA H 4.6630 0.0500 1 645 . 67 SER HB2 H 3.6650 0.0500 1 646 . 67 SER HB3 H 3.0060 0.0500 1 647 . 67 SER C C 169.7300 0.1500 1 648 . 67 SER CA C 57.7600 0.1500 1 649 . 67 SER CB C 59.0350 0.1500 1 650 . 67 SER N N 119.9730 0.1500 1 651 . 68 SER H H 7.2940 0.0500 1 652 . 68 SER HA H 4.9740 0.0500 1 653 . 68 SER HB2 H 4.1160 0.0500 1 654 . 68 SER HB3 H 3.7590 0.0500 1 655 . 68 SER C C 172.8370 0.1500 1 656 . 68 SER CA C 53.3550 0.1500 1 657 . 68 SER CB C 61.8880 0.1500 1 658 . 68 SER N N 111.4090 0.1500 1 659 . 69 VAL H H 8.0300 0.0500 1 660 . 69 VAL HA H 3.5570 0.0500 1 661 . 69 VAL HB H 1.9310 0.0500 1 662 . 69 VAL HG1 H 0.4010 0.0500 1 663 . 69 VAL HG2 H 0.7570 0.0500 1 664 . 69 VAL C C 174.8840 0.1500 1 665 . 69 VAL CA C 62.1210 0.1500 1 666 . 69 VAL CB C 25.8740 0.1500 1 667 . 69 VAL CG1 C 18.9997 0.1500 1 668 . 69 VAL CG2 C 15.3085 0.1500 1 669 . 69 VAL N N 120.1370 0.1500 1 670 . 70 GLU H H 8.2230 0.0500 1 671 . 70 GLU HA H 4.0800 0.0500 1 672 . 70 GLU HB2 H 1.8570 0.0500 1 673 . 70 GLU HB3 H 1.7678 0.0500 1 674 . 70 GLU HG2 H 2.1660 0.0500 1 675 . 70 GLU HG3 H 2.0833 0.0500 1 676 . 70 GLU C C 178.2490 0.1500 1 677 . 70 GLU CA C 56.5920 0.1500 1 678 . 70 GLU CB C 25.5090 0.1500 1 679 . 70 GLU CG C 33.2570 0.1500 1 680 . 70 GLU N N 121.9570 0.1500 1 681 . 71 SER H H 7.7320 0.0500 1 682 . 71 SER HA H 4.6580 0.0500 1 683 . 71 SER HB2 H 4.1010 0.0500 1 684 . 71 SER HB3 H 3.9350 0.0500 1 685 . 71 SER C C 171.8300 0.1500 1 686 . 71 SER CA C 57.7650 0.1500 1 687 . 71 SER CB C 59.5240 0.1500 1 688 . 71 SER N N 115.9800 0.1500 1 689 . 72 ALA H H 7.2580 0.0500 1 690 . 72 ALA HA H 4.3280 0.0500 1 691 . 72 ALA HB H 1.1330 0.0500 1 692 . 72 ALA C C 173.3100 0.1500 1 693 . 72 ALA CA C 47.7950 0.1500 1 694 . 72 ALA CB C 15.5300 0.1500 1 695 . 72 ALA N N 122.6600 0.1500 1 696 . 73 GLY H H 7.5550 0.0500 1 697 . 73 GLY HA2 H 3.9840 0.0500 1 698 . 73 GLY HA3 H 3.4580 0.0500 1 699 . 73 GLY C C 170.1300 0.1500 1 700 . 73 GLY CA C 41.4980 0.1500 1 701 . 73 GLY N N 106.1350 0.1500 1 702 . 74 ILE H H 7.1690 0.0500 1 703 . 74 ILE HA H 3.0470 0.0500 1 704 . 74 ILE HB H 0.8420 0.0500 1 705 . 74 ILE HG12 H 0.6630 0.0500 1 706 . 74 ILE HG2 H -0.3032 0.0500 1 707 . 74 ILE HD1 H 0.0781 0.0500 1 708 . 74 ILE C C 169.8300 0.1500 1 709 . 74 ILE CA C 54.6540 0.1500 1 710 . 74 ILE CB C 36.5490 0.1500 1 711 . 74 ILE CG1 C 31.3611 0.1500 1 712 . 74 ILE CG2 C 10.7987 0.1500 1 713 . 74 ILE CD1 C 10.1015 0.1500 1 714 . 74 ILE N N 123.7150 0.1500 1 715 . 75 PRO HA H 4.0640 0.0500 1 716 . 75 PRO HD2 H 3.0892 0.0500 1 717 . 75 PRO HD3 H 2.3886 0.0500 1 718 . 75 PRO HB2 H 2.0509 0.0500 1 719 . 75 PRO HB3 H 1.7339 0.0500 1 720 . 75 PRO HG2 H 1.6440 0.0500 1 721 . 75 PRO C C 173.2170 0.1500 1 722 . 75 PRO CA C 58.9730 0.1500 1 723 . 75 PRO CB C 27.9040 0.1500 1 724 . 75 PRO CD C 47.2586 0.1500 1 725 . 75 PRO CG C 23.9987 0.1500 1 726 . 76 ASP H H 8.0790 0.0500 1 727 . 76 ASP HA H 4.4440 0.0500 1 728 . 76 ASP HB2 H 4.1200 0.0500 1 729 . 76 ASP HB3 H 2.3960 0.0500 1 730 . 76 ASP C C 174.2920 0.1500 1 731 . 76 ASP CA C 51.0680 0.1500 1 732 . 76 ASP CB C 38.3840 0.1500 1 733 . 76 ASP N N 118.7800 0.1500 1 734 . 77 ASN H H 8.5960 0.0500 1 735 . 77 ASN HA H 4.4180 0.0500 1 736 . 77 ASN HB2 H 2.9300 0.0500 1 737 . 77 ASN HB3 H 2.4750 0.0500 1 738 . 77 ASN C C 172.3800 0.1500 1 739 . 77 ASN CA C 51.2030 0.1500 1 740 . 77 ASN CB C 34.7290 0.1500 1 741 . 77 ASN N N 119.2800 0.1500 1 742 . 78 SER H H 8.2000 0.0500 1 743 . 78 SER HA H 4.7140 0.0500 1 744 . 78 SER HB2 H 3.6960 0.0500 1 745 . 78 SER HB3 H 3.3420 0.0500 1 746 . 78 SER C C 169.4280 0.1500 1 747 . 78 SER CA C 55.0050 0.1500 1 748 . 78 SER CB C 62.0720 0.1500 1 749 . 78 SER N N 112.4700 0.1500 1 750 . 79 ILE H H 7.5450 0.0500 1 751 . 79 ILE HA H 4.4610 0.0500 1 752 . 79 ILE HB H 1.7270 0.0500 1 753 . 79 ILE HG12 H 1.5127 0.0500 1 754 . 79 ILE HG13 H 0.8540 0.0500 1 755 . 79 ILE HG2 H 1.2840 0.0500 1 756 . 79 ILE HD1 H 0.5030 0.0500 1 757 . 79 ILE C C 174.0660 0.1500 1 758 . 79 ILE CA C 58.0160 0.1500 1 759 . 79 ILE CB C 36.8000 0.1500 1 760 . 79 ILE CG1 C 24.0410 0.1500 1 761 . 79 ILE CG2 C 16.3610 0.1500 1 762 . 79 ILE CD1 C 10.9970 0.1500 1 763 . 79 ILE N N 116.7200 0.1500 1 764 . 80 SER H H 9.1560 0.0500 1 765 . 80 SER HA H 4.7850 0.0500 1 766 . 80 SER HB2 H 3.8770 0.0500 1 767 . 80 SER HB3 H 3.1280 0.0500 1 768 . 80 SER C C 169.7050 0.1500 1 769 . 80 SER CA C 55.4100 0.1500 1 770 . 80 SER CB C 62.8900 0.1500 1 771 . 80 SER N N 118.6870 0.1500 1 772 . 81 SER H H 8.1820 0.0500 1 773 . 81 SER HA H 4.4650 0.0500 1 774 . 81 SER HB2 H 3.9990 0.0500 1 775 . 81 SER C C 170.2440 0.1500 1 776 . 81 SER CA C 55.6700 0.1500 1 777 . 81 SER CB C 62.5500 0.1500 1 778 . 81 SER N N 110.4500 0.1500 1 779 . 82 PHE H H 8.8100 0.0500 1 780 . 82 PHE HA H 6.0690 0.0500 1 781 . 82 PHE HB2 H 3.4710 0.0500 1 782 . 82 PHE HB3 H 2.1660 0.0500 1 783 . 82 PHE HD1 H 6.8900 0.0500 1 784 . 82 PHE HZ H 6.4400 0.0500 1 785 . 82 PHE HE1 H 7.1900 0.0500 1 786 . 82 PHE C C 170.3500 0.1500 1 787 . 82 PHE CA C 53.6300 0.1500 1 788 . 82 PHE CB C 38.1200 0.1500 1 789 . 82 PHE N N 114.0550 0.1500 1 790 . 83 ARG H H 9.2390 0.0500 1 791 . 83 ARG HA H 4.9910 0.0500 1 792 . 83 ARG HB2 H 1.5590 0.0500 1 793 . 83 ARG HG2 H 1.0810 0.0500 1 794 . 83 ARG HG3 H 0.6200 0.0500 1 795 . 83 ARG HD2 H 2.0251 0.0500 1 796 . 83 ARG HD3 H 1.7954 0.0500 1 797 . 83 ARG C C 170.1400 0.1500 1 798 . 83 ARG CA C 51.1340 0.1500 1 799 . 83 ARG CB C 29.2800 0.1500 1 800 . 83 ARG CD C 39.3890 0.1500 1 801 . 83 ARG CG C 21.9220 0.1500 1 802 . 83 ARG N N 115.3920 0.1500 1 803 . 84 GLN H H 8.3200 0.0500 1 804 . 84 GLN HA H 3.4510 0.0500 1 805 . 84 GLN HB2 H 0.9560 0.0500 1 806 . 84 GLN HB3 H 0.8328 0.0500 1 807 . 84 GLN HG2 H 1.3850 0.0500 1 808 . 84 GLN HG3 H 1.0973 0.0500 1 809 . 84 GLN C C 172.3900 0.1500 1 810 . 84 GLN CA C 51.8970 0.1500 1 811 . 84 GLN CB C 25.6900 0.1500 1 812 . 84 GLN CG C 29.6185 0.1500 1 813 . 84 GLN N N 123.2910 0.1500 1 814 . 85 ILE H H 7.8900 0.0500 1 815 . 85 ILE HA H 3.9860 0.0500 1 816 . 85 ILE HB H 1.6170 0.0500 1 817 . 85 ILE HG12 H 0.8567 0.0500 1 818 . 85 ILE HG13 H 0.4460 0.0500 1 819 . 85 ILE HG2 H 0.4114 0.0500 1 820 . 85 ILE HD1 H 0.4985 0.0500 1 821 . 85 ILE C C 177.3900 0.1500 1 822 . 85 ILE CA C 58.6010 0.1500 1 823 . 85 ILE CB C 37.3900 0.1500 1 824 . 85 ILE CG1 C 23.4310 0.1500 1 825 . 85 ILE CG2 C 15.0520 0.1500 1 826 . 85 ILE CD1 C 10.6482 0.1500 1 827 . 85 ILE N N 125.6000 0.1500 1 stop_ save_