data_5874 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _BMRB_accession_number 5874 _BMRB_flat_file_name bmr5874.str _Entry_type original _Submission_date 2003-07-18 _Accession_date 2003-07-18 _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 Yuan Xuemei . . 2 Simpson Pete . . 3 Kondo Hisao . . 4 Mckeown Ciaran . . 5 Dreveny Ingrid . . 6 Shaw Anthony . . 7 Zhang Xiaodong . . 8 Freemont Paul S. . 9 Matthews Stephen J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 635 "13C chemical shifts" 282 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5876 'p47 residues 171-370, p47 monomer' stop_ _Original_release_date 2003-12-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14752269 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuan Xuemei . . 2 Simpson Pete . . 3 Kondo Hisao . . 4 Mckeown Ciaran . . 5 Dreveny Ingrid . . 6 Shaw Anthony . . 7 Zhang Xiaodong . . 8 Freemont Paul S. . 9 Matthews Stephen J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 309 _Page_last 310 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_p47 _Saveframe_category molecular_system _Mol_system_name 'p47 monomer' _Abbreviation_common p47 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p47 residues 1-174, p47 monomer' $p47 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; adaptor protein of the ATPase p97 in the mediation of cellular processes including membrane fusion ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p47 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p47 _Abbreviation_common p47 _Molecular_mass 41000 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MAEERQDALREFVAVTGAEE DRARFFLESAGWDLQIALAS FYEDGGDEDIVTISQATPSS VSRGTAPSDNRVTSFRDLIH DQDEEEEEEEGQRFYAGGSE RSGQQIVGPPRKKSPNELVD DLFKGAKEHGAVAVERVTKS PGETSKPRPFAGGGYRLGAA PEEESAYVAGERRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 GLU 5 ARG 6 GLN 7 ASP 8 ALA 9 LEU 10 ARG 11 GLU 12 PHE 13 VAL 14 ALA 15 VAL 16 THR 17 GLY 18 ALA 19 GLU 20 GLU 21 ASP 22 ARG 23 ALA 24 ARG 25 PHE 26 PHE 27 LEU 28 GLU 29 SER 30 ALA 31 GLY 32 TRP 33 ASP 34 LEU 35 GLN 36 ILE 37 ALA 38 LEU 39 ALA 40 SER 41 PHE 42 TYR 43 GLU 44 ASP 45 GLY 46 GLY 47 ASP 48 GLU 49 ASP 50 ILE 51 VAL 52 THR 53 ILE 54 SER 55 GLN 56 ALA 57 THR 58 PRO 59 SER 60 SER 61 VAL 62 SER 63 ARG 64 GLY 65 THR 66 ALA 67 PRO 68 SER 69 ASP 70 ASN 71 ARG 72 VAL 73 THR 74 SER 75 PHE 76 ARG 77 ASP 78 LEU 79 ILE 80 HIS 81 ASP 82 GLN 83 ASP 84 GLU 85 GLU 86 GLU 87 GLU 88 GLU 89 GLU 90 GLU 91 GLY 92 GLN 93 ARG 94 PHE 95 TYR 96 ALA 97 GLY 98 GLY 99 SER 100 GLU 101 ARG 102 SER 103 GLY 104 GLN 105 GLN 106 ILE 107 VAL 108 GLY 109 PRO 110 PRO 111 ARG 112 LYS 113 LYS 114 SER 115 PRO 116 ASN 117 GLU 118 LEU 119 VAL 120 ASP 121 ASP 122 LEU 123 PHE 124 LYS 125 GLY 126 ALA 127 LYS 128 GLU 129 HIS 130 GLY 131 ALA 132 VAL 133 ALA 134 VAL 135 GLU 136 ARG 137 VAL 138 THR 139 LYS 140 SER 141 PRO 142 GLY 143 GLU 144 THR 145 SER 146 LYS 147 PRO 148 ARG 149 PRO 150 PHE 151 ALA 152 GLY 153 GLY 154 GLY 155 TYR 156 ARG 157 LEU 158 GLY 159 ALA 160 ALA 161 PRO 162 GLU 163 GLU 164 GLU 165 SER 166 ALA 167 TYR 168 VAL 169 ALA 170 GLY 171 GLU 172 ARG 173 ARG 174 ARG 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 DBJ BAA21659 "p47 [Rattus norvegicus]" 100.00 370 100.00 100.00 4.63e-118 DBJ BAA91731 "unnamed protein product [Homo sapiens]" 85.06 339 97.97 99.32 3.00e-96 DBJ BAB28604 "unnamed protein product [Mus musculus]" 100.00 370 99.43 99.43 1.76e-117 DBJ BAC30250 "unnamed protein product [Mus musculus]" 101.15 264 97.73 97.73 1.63e-114 DBJ BAD97061 "p47 protein isoform a variant [Homo sapiens]" 100.00 370 97.13 99.43 6.09e-115 EMBL CAA71742 "XY40 protein [Rattus norvegicus]" 100.00 370 100.00 100.00 4.63e-118 EMBL CAH90897 "hypothetical protein [Pongo abelii]" 100.00 370 97.13 99.43 7.57e-115 GB AAD44488 "p47 [Homo sapiens]" 100.00 370 97.13 99.43 6.09e-115 GB AAH02801 "NSFL1 (p97) cofactor (p47) [Homo sapiens]" 100.00 370 97.13 99.43 7.57e-115 GB AAH50936 "NSFL1 (p97) cofactor (p47) [Mus musculus]" 101.15 372 98.30 98.30 2.01e-115 GB AAH72464 "NSFL1 (p97) cofactor (p47) [Rattus norvegicus]" 100.00 370 100.00 100.00 4.63e-118 GB AAI02957 "NSFL1 (p97) cofactor (p47) [Bos taurus]" 100.00 370 98.28 99.43 4.67e-116 REF NP_001029729 "NSFL1 cofactor p47 [Bos taurus]" 100.00 370 98.28 99.43 4.67e-116 REF NP_001125510 "NSFL1 cofactor p47 [Pongo abelii]" 100.00 370 97.13 99.43 7.57e-115 REF NP_001231372 "NSFL1 (p97) cofactor (p47) [Sus scrofa]" 100.00 370 98.85 99.43 9.13e-117 REF NP_001278003 "NSFL1 cofactor p47 isoform b [Mus musculus]" 100.00 370 99.43 99.43 1.76e-117 REF NP_057227 "NSFL1 cofactor p47 isoform a [Homo sapiens]" 100.00 370 97.13 99.43 7.57e-115 SP O35987 "RecName: Full=NSFL1 cofactor p47; AltName: Full=XY body-associated protein XY40; AltName: Full=p97 cofactor p47 [Rattus norvegi" 100.00 370 100.00 100.00 4.63e-118 SP Q3SZC4 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Bos taurus]" 100.00 370 98.28 99.43 4.67e-116 SP Q5RBG3 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Pongo abelii]" 100.00 370 97.13 99.43 7.57e-115 SP Q9CZ44 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Mus musculus]" 100.00 370 99.43 99.43 1.76e-117 SP Q9UNZ2 "RecName: Full=NSFL1 cofactor p47; AltName: Full=UBX domain-containing protein 2C; AltName: Full=p97 cofactor p47 [Homo sapiens]" 100.00 370 97.13 99.43 7.57e-115 TPG DAA23261 "TPA: NSFL1 cofactor p47 [Bos taurus]" 100.00 370 98.28 99.43 4.67e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p47 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $p47 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $p47 0.5 mM 0.3 0.6 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHA(CBCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ex-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 0.2 n/a 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p47 residues 1-174, p47 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 55.435 0.05 1 2 . 1 MET CB C 28.831 0.05 1 3 . 1 MET C C 176.160 0.05 1 4 . 1 MET HB3 H 1.993 0.05 1 5 . 1 MET HB2 H 1.993 0.05 1 6 . 2 ALA N N 122.961 0.05 1 7 . 2 ALA H H 8.219 0.05 1 8 . 2 ALA CA C 58.875 0.05 1 9 . 2 ALA HA H 3.955 0.05 1 10 . 2 ALA CB C 19.518 0.05 1 11 . 2 ALA HB H 1.383 0.05 1 12 . 2 ALA C C 179.203 0.05 1 13 . 3 GLU N N 119.994 0.05 1 14 . 3 GLU H H 8.442 0.05 1 15 . 3 GLU CA C 58.340 0.05 1 16 . 3 GLU HA H 4.012 0.05 1 17 . 3 GLU CB C 28.830 0.05 1 18 . 3 GLU HB3 H 2.090 0.05 1 19 . 3 GLU C C 177.411 0.05 1 20 . 4 GLU N N 119.570 0.05 1 21 . 4 GLU H H 8.414 0.05 1 22 . 4 GLU CA C 58.340 0.05 1 23 . 4 GLU HA H 4.165 0.05 1 24 . 4 GLU CB C 28.525 0.05 1 25 . 4 GLU HB3 H 2.101 0.05 1 26 . 4 GLU HG3 H 2.461 0.05 1 27 . 4 GLU HG2 H 2.371 0.05 1 28 . 4 GLU C C 176.712 0.05 1 29 . 5 ARG N N 120.206 0.05 1 30 . 5 ARG H H 7.931 0.05 1 31 . 5 ARG CA C 59.028 0.05 1 32 . 5 ARG HA H 4.064 0.05 1 33 . 5 ARG CB C 29.213 0.05 1 34 . 5 ARG HB3 H 1.451 0.05 1 35 . 5 ARG HB2 H 1.451 0.05 1 36 . 5 ARG HG3 H 0.924 0.05 1 37 . 5 ARG HG2 H 0.924 0.05 1 38 . 5 ARG C C 177.211 0.05 1 39 . 6 GLN N N 119.359 0.05 1 40 . 6 GLN H H 7.998 0.05 1 41 . 6 GLN CA C 58.417 0.05 1 42 . 6 GLN HA H 4.057 0.05 1 43 . 6 GLN CB C 27.760 0.05 1 44 . 6 GLN HB3 H 2.181 0.05 1 45 . 6 GLN HG2 H 2.411 0.05 1 46 . 6 GLN NE2 N 111.687 0.05 1 47 . 6 GLN HE21 H 6.906 0.05 1 48 . 6 GLN HE22 H 7.447 0.05 1 49 . 6 GLN C C 175.594 0.05 1 50 . 7 ASP N N 119.782 0.05 1 51 . 7 ASP H H 8.322 0.05 1 52 . 7 ASP CA C 56.123 0.05 1 53 . 7 ASP HA H 4.493 0.05 1 54 . 7 ASP CB C 39.610 0.05 1 55 . 7 ASP HB3 H 2.871 0.05 1 56 . 7 ASP HB2 H 2.776 0.05 1 57 . 7 ASP C C 177.451 0.05 1 58 . 8 ALA N N 123.173 0.05 1 59 . 8 ALA H H 8.061 0.05 1 60 . 8 ALA CA C 55.053 0.05 1 61 . 8 ALA HA H 4.326 0.05 1 62 . 8 ALA CB C 18.204 0.05 1 63 . 8 ALA HB H 1.829 0.05 1 64 . 8 ALA C C 178.449 0.05 1 65 . 9 LEU N N 118.935 0.05 1 66 . 9 LEU H H 8.284 0.05 1 67 . 9 LEU CA C 58.034 0.05 1 68 . 9 LEU HA H 3.947 0.05 1 69 . 9 LEU CB C 41.903 0.05 1 70 . 9 LEU HB3 H 2.052 0.05 1 71 . 9 LEU HB2 H 1.815 0.05 1 72 . 9 LEU HD2 H 0.952 0.05 1 73 . 9 LEU C C 177.451 0.05 1 74 . 10 ARG N N 117.875 0.05 1 75 . 10 ARG H H 8.110 0.05 1 76 . 10 ARG CA C 58.438 0.05 1 77 . 10 ARG HA H 3.987 0.05 1 78 . 10 ARG CB C 28.983 0.05 1 79 . 10 ARG HB3 H 2.037 0.05 1 80 . 10 ARG HB2 H 2.009 0.05 1 81 . 10 ARG HG3 H 1.851 0.05 1 82 . 10 ARG HG2 H 1.675 0.05 1 83 . 10 ARG HD2 H 3.290 0.05 1 84 . 10 ARG NE N 110.882 0.05 1 85 . 10 ARG HE H 7.372 0.05 1 86 . 10 ARG C C 179.208 0.05 1 87 . 11 GLU N N 120.457 0.05 1 88 . 11 GLU H H 8.455 0.05 1 89 . 11 GLU CA C 58.438 0.05 1 90 . 11 GLU HA H 4.190 0.05 1 91 . 11 GLU CB C 28.219 0.05 1 92 . 11 GLU HB3 H 2.244 0.05 1 93 . 11 GLU HB2 H 2.072 0.05 1 94 . 11 GLU HG3 H 2.410 0.05 1 95 . 11 GLU HG2 H 2.437 0.05 1 96 . 11 GLU C C 176.952 0.05 1 97 . 12 PHE N N 120.190 0.05 1 98 . 12 PHE H H 8.867 0.05 1 99 . 12 PHE CA C 61.190 0.05 1 100 . 12 PHE HA H 3.730 0.05 1 101 . 12 PHE CB C 39.457 0.05 1 102 . 12 PHE HB3 H 3.317 0.05 1 103 . 12 PHE HB2 H 3.009 0.05 1 104 . 12 PHE HD1 H 6.668 0.05 1 105 . 12 PHE HE1 H 6.525 0.05 1 106 . 12 PHE HZ H 7.055 0.05 1 107 . 12 PHE C C 179.627 0.05 1 108 . 13 VAL N N 121.902 0.05 1 109 . 13 VAL H H 8.647 0.05 1 110 . 13 VAL CA C 66.465 0.05 1 111 . 13 VAL HA H 3.484 0.05 1 112 . 13 VAL CB C 31.888 0.05 1 113 . 13 VAL HB H 2.208 0.05 1 114 . 13 VAL HG2 H 1.098 0.05 1 115 . 13 VAL HG1 H 1.018 0.05 1 116 . 13 VAL C C 177.571 0.05 1 117 . 14 ALA N N 124.021 0.05 1 118 . 14 ALA H H 8.269 0.05 1 119 . 14 ALA CA C 54.703 0.05 1 120 . 14 ALA HA H 4.091 0.05 1 121 . 14 ALA CB C 17.898 0.05 1 122 . 14 ALA HB H 1.541 0.05 1 123 . 14 ALA C C 179.268 0.05 1 124 . 15 VAL N N 114.061 0.05 1 125 . 15 VAL H H 7.926 0.05 1 126 . 15 VAL CA C 64.368 0.05 1 127 . 15 VAL HA H 3.852 0.05 1 128 . 15 VAL CB C 32.347 0.05 1 129 . 15 VAL HB H 1.918 0.05 1 130 . 15 VAL HG2 H 1.028 0.05 1 131 . 15 VAL HG1 H 0.913 0.05 1 132 . 15 VAL C C 176.952 0.05 1 133 . 16 THR N N 106.219 0.05 1 134 . 16 THR H H 7.529 0.05 1 135 . 16 THR CA C 62.435 0.05 1 136 . 16 THR HA H 4.150 0.05 1 137 . 16 THR CB C 71.184 0.05 1 138 . 16 THR HB H 3.317 0.05 1 139 . 16 THR HG2 H -0.154 0.05 1 140 . 16 THR C C 176.513 0.05 1 141 . 17 GLY N N 112.789 0.05 1 142 . 17 GLY H H 8.694 0.05 1 143 . 17 GLY CA C 45.004 0.05 1 144 . 17 GLY HA3 H 4.137 0.05 1 145 . 17 GLY HA2 H 3.810 0.05 1 146 . 17 GLY C C 173.099 0.05 1 147 . 18 ALA N N 122.113 0.05 1 148 . 18 ALA H H 7.951 0.05 1 149 . 18 ALA CA C 51.361 0.05 1 150 . 18 ALA HA H 4.284 0.05 1 151 . 18 ALA CB C 19.656 0.05 1 152 . 18 ALA HB H 1.339 0.05 1 153 . 18 ALA C C 175.714 0.05 1 154 . 19 GLU N N 117.875 0.05 1 155 . 19 GLU H H 8.634 0.05 1 156 . 19 GLU CA C 55.751 0.05 1 157 . 19 GLU HA H 4.299 0.05 1 158 . 19 GLU CB C 29.671 0.05 1 159 . 19 GLU HB3 H 2.360 0.05 1 160 . 19 GLU HB2 H 2.062 0.05 1 161 . 19 GLU HG3 H 2.563 0.05 1 162 . 19 GLU HG2 H 2.548 0.05 1 163 . 19 GLU C C 174.017 0.05 1 164 . 20 GLU N N 123.173 0.05 1 165 . 20 GLU H H 8.976 0.05 1 166 . 20 GLU CA C 60.371 0.05 1 167 . 20 GLU HA H 3.677 0.05 1 168 . 20 GLU CB C 29.213 0.05 1 169 . 20 GLU HB3 H 2.066 0.05 1 170 . 20 GLU HB2 H 2.066 0.05 1 171 . 20 GLU HG3 H 2.365 0.05 1 172 . 20 GLU HG2 H 2.181 0.05 1 173 . 20 GLU C C 175.514 0.05 1 174 . 21 ASP N N 116.392 0.05 1 175 . 21 ASP H H 8.939 0.05 1 176 . 21 ASP CA C 56.734 0.05 1 177 . 21 ASP HA H 4.360 0.05 1 178 . 21 ASP CB C 38.922 0.05 1 179 . 21 ASP HB3 H 2.684 0.05 1 180 . 21 ASP HB2 H 2.684 0.05 1 181 . 21 ASP C C 178.030 0.05 1 182 . 22 ARG N N 122.095 0.05 1 183 . 22 ARG H H 7.315 0.05 1 184 . 22 ARG CA C 57.520 0.05 1 185 . 22 ARG HA H 4.244 0.05 1 186 . 22 ARG CB C 29.595 0.05 1 187 . 22 ARG HB3 H 2.171 0.05 1 188 . 22 ARG HB2 H 2.069 0.05 1 189 . 22 ARG HG3 H 1.896 0.05 1 190 . 22 ARG HG2 H 1.896 0.05 1 191 . 22 ARG HD3 H 3.431 0.05 1 192 . 22 ARG HD2 H 3.431 0.05 1 193 . 22 ARG C C 176.992 0.05 1 194 . 23 ALA N N 121.266 0.05 1 195 . 23 ALA H H 8.317 0.05 1 196 . 23 ALA CA C 54.211 0.05 1 197 . 23 ALA HA H 3.221 0.05 1 198 . 23 ALA CB C 19.962 0.05 1 199 . 23 ALA HB H 1.115 0.05 1 200 . 23 ALA C C 177.730 0.05 1 201 . 24 ARG N N 116.204 0.05 1 202 . 24 ARG H H 8.426 0.05 1 203 . 24 ARG CA C 59.650 0.05 1 204 . 24 ARG HA H 3.402 0.05 1 205 . 24 ARG CB C 29.213 0.05 1 206 . 24 ARG HB3 H 1.914 0.05 1 207 . 24 ARG HB2 H 1.830 0.05 1 208 . 24 ARG HG3 H 1.640 0.05 1 209 . 24 ARG HG2 H 1.640 0.05 1 210 . 24 ARG C C 176.213 0.05 1 211 . 25 PHE N N 118.914 0.05 1 212 . 25 PHE H H 7.440 0.05 1 213 . 25 PHE CA C 60.731 0.05 1 214 . 25 PHE HA H 4.088 0.05 1 215 . 25 PHE CB C 37.775 0.05 1 216 . 25 PHE HB3 H 3.129 0.05 1 217 . 25 PHE HB2 H 3.129 0.05 1 218 . 25 PHE HD1 H 6.577 0.05 1 219 . 25 PHE HE1 H 6.938 0.05 1 220 . 25 PHE HZ H 7.480 0.05 1 221 . 25 PHE HE2 H 6.938 0.05 1 222 . 25 PHE HD2 H 6.577 0.05 1 223 . 25 PHE C C 177.830 0.05 1 224 . 26 PHE N N 118.708 0.05 1 225 . 26 PHE H H 7.820 0.05 1 226 . 26 PHE CA C 62.402 0.05 1 227 . 26 PHE HA H 3.640 0.05 1 228 . 26 PHE CB C 38.692 0.05 1 229 . 26 PHE HB3 H 2.894 0.05 1 230 . 26 PHE HB2 H 2.592 0.05 1 231 . 26 PHE HD1 H 7.597 0.05 1 232 . 26 PHE HE1 H 7.459 0.05 1 233 . 26 PHE HZ H 7.166 0.05 1 234 . 26 PHE C C 178.170 0.05 1 235 . 27 LEU N N 120.609 0.05 1 236 . 27 LEU H H 8.045 0.05 1 237 . 27 LEU CA C 57.815 0.05 1 238 . 27 LEU HA H 3.238 0.05 1 239 . 27 LEU CB C 38.769 0.05 1 240 . 27 LEU HB3 H 0.693 0.05 1 241 . 27 LEU HB2 H -0.434 0.05 1 242 . 27 LEU HG H 0.787 0.05 1 243 . 27 LEU HD1 H 0.523 0.05 1 244 . 27 LEU HD2 H 0.520 0.05 1 245 . 27 LEU C C 177.810 0.05 1 246 . 28 GLU N N 120.460 0.05 1 247 . 28 GLU H H 8.531 0.05 1 248 . 28 GLU CA C 59.027 0.05 1 249 . 28 GLU HA H 3.356 0.05 1 250 . 28 GLU CB C 28.372 0.05 1 251 . 28 GLU HB3 H 1.966 0.05 1 252 . 28 GLU HB2 H 1.831 0.05 1 253 . 28 GLU HG3 H 2.321 0.05 1 254 . 28 GLU HG2 H 2.317 0.05 1 255 . 28 GLU C C 180.164 0.05 1 256 . 29 SER N N 115.099 0.05 1 257 . 29 SER H H 7.446 0.05 1 258 . 29 SER CA C 60.535 0.05 1 259 . 29 SER HA H 4.002 0.05 1 260 . 29 SER CB C 61.857 0.05 1 261 . 29 SER HB3 H 3.590 0.05 1 262 . 29 SER HB2 H 3.545 0.05 1 263 . 29 SER C C 173.216 0.05 1 264 . 30 ALA N N 121.266 0.05 1 265 . 30 ALA H H 7.060 0.05 1 266 . 30 ALA CA C 50.476 0.05 1 267 . 30 ALA HA H 4.480 0.05 1 268 . 30 ALA CB C 20.039 0.05 1 269 . 30 ALA HB H 1.480 0.05 1 270 . 30 ALA C C 177.549 0.05 1 271 . 31 GLY N N 110.458 0.05 1 272 . 31 GLY H H 7.808 0.05 1 273 . 31 GLY CA C 47.200 0.05 1 274 . 31 GLY HA3 H 4.012 0.05 1 275 . 31 GLY HA2 H 3.879 0.05 1 276 . 31 GLY C C 171.759 0.05 1 277 . 32 TRP N N 110.670 0.05 1 278 . 32 TRP H H 8.813 0.05 1 279 . 32 TRP CA C 59.322 0.05 1 280 . 32 TRP HA H 3.574 0.05 1 281 . 32 TRP CB C 23.632 0.05 1 282 . 32 TRP HB3 H 3.267 0.05 1 283 . 32 TRP HB2 H 3.108 0.05 1 284 . 32 TRP HD1 H 7.055 0.05 1 285 . 32 TRP NE1 N 129.799 0.05 1 286 . 32 TRP HE1 H 10.236 0.05 1 287 . 32 TRP HZ2 H 6.961 0.05 1 288 . 32 TRP HH2 H 7.164 0.05 1 289 . 32 TRP HE3 H 7.415 0.05 1 290 . 32 TRP C C 174.354 0.05 1 291 . 33 ASP N N 118.511 0.05 1 292 . 33 ASP H H 6.867 0.05 1 293 . 33 ASP CA C 52.704 0.05 1 294 . 33 ASP HA H 4.806 0.05 1 295 . 33 ASP CB C 41.674 0.05 1 296 . 33 ASP HB3 H 3.121 0.05 1 297 . 33 ASP HB2 H 2.510 0.05 1 298 . 33 ASP C C 174.953 0.05 1 299 . 34 LEU N N 128.212 0.05 1 300 . 34 LEU H H 8.814 0.05 1 301 . 34 LEU CA C 58.012 0.05 1 302 . 34 LEU HA H 3.953 0.05 1 303 . 34 LEU CB C 41.827 0.05 1 304 . 34 LEU HB3 H 1.607 0.05 1 305 . 34 LEU HB2 H 1.603 0.05 1 306 . 34 LEU HG H 1.936 0.05 1 307 . 34 LEU HD1 H 1.011 0.05 1 308 . 34 LEU HD2 H 1.147 0.05 1 309 . 34 LEU C C 176.650 0.05 1 310 . 35 GLN N N 115.544 0.05 1 311 . 35 GLN H H 8.097 0.05 1 312 . 35 GLN CA C 58.929 0.05 1 313 . 35 GLN HA H 4.021 0.05 1 314 . 35 GLN CB C 29.518 0.05 1 315 . 35 GLN HB3 H 2.366 0.05 1 316 . 35 GLN HB2 H 2.086 0.05 1 317 . 35 GLN HG2 H 2.493 0.05 1 318 . 35 GLN NE2 N 112.469 0.05 1 319 . 35 GLN HE21 H 6.907 0.05 1 320 . 35 GLN HE22 H 7.637 0.05 1 321 . 35 GLN C C 179.206 0.05 1 322 . 36 ILE N N 122.060 0.05 1 323 . 36 ILE H H 8.122 0.05 1 324 . 36 ILE CA C 63.877 0.05 1 325 . 36 ILE HA H 4.224 0.05 1 326 . 36 ILE CB C 37.316 0.05 1 327 . 36 ILE HB H 1.918 0.05 1 328 . 36 ILE HG13 H 1.475 0.05 1 329 . 36 ILE HG12 H 1.158 0.05 1 330 . 36 ILE HD1 H 0.883 0.05 1 331 . 36 ILE HG2 H 0.992 0.05 1 332 . 36 ILE C C 177.748 0.05 1 333 . 37 ALA N N 123.809 0.05 1 334 . 37 ALA H H 8.480 0.05 1 335 . 37 ALA CA C 54.899 0.05 1 336 . 37 ALA HA H 4.012 0.05 1 337 . 37 ALA CB C 18.586 0.05 1 338 . 37 ALA HB H 1.367 0.05 1 339 . 37 ALA C C 179.166 0.05 1 340 . 38 LEU N N 118.299 0.05 1 341 . 38 LEU H H 8.707 0.05 1 342 . 38 LEU CA C 57.160 0.05 1 343 . 38 LEU HA H 3.720 0.05 1 344 . 38 LEU CB C 41.598 0.05 1 345 . 38 LEU HB3 H 1.921 0.05 1 346 . 38 LEU HB2 H 1.358 0.05 1 347 . 38 LEU HG H 1.679 0.05 1 348 . 38 LEU HD1 H 0.091 0.05 1 349 . 38 LEU HD2 H 0.768 0.05 1 350 . 38 LEU C C 177.189 0.05 1 351 . 39 ALA N N 120.418 0.05 1 352 . 39 ALA H H 7.773 0.05 1 353 . 39 ALA CA C 54.866 0.05 1 354 . 39 ALA HA H 4.216 0.05 1 355 . 39 ALA CB C 17.592 0.05 1 356 . 39 ALA HB H 1.561 0.05 1 357 . 39 ALA C C 180.423 0.05 1 358 . 40 SER N N 114.061 0.05 1 359 . 40 SER H H 8.364 0.05 1 360 . 40 SER CA C 60.993 0.05 1 361 . 40 SER HA H 4.288 0.05 1 362 . 40 SER CB C 62.392 0.05 1 363 . 40 SER HB3 H 4.169 0.05 1 364 . 40 SER HB2 H 4.077 0.05 1 365 . 40 SER C C 175.013 0.05 1 366 . 41 PHE N N 123.809 0.05 1 367 . 41 PHE H H 8.143 0.05 1 368 . 41 PHE CA C 60.634 0.05 1 369 . 41 PHE HA H 3.262 0.05 1 370 . 41 PHE CB C 38.616 0.05 1 371 . 41 PHE HB3 H 2.806 0.05 1 372 . 41 PHE HB2 H 2.312 0.05 1 373 . 41 PHE HD1 H 5.873 0.05 1 374 . 41 PHE HE1 H 6.462 0.05 1 375 . 41 PHE HZ H 6.989 0.05 1 376 . 41 PHE C C 176.730 0.05 1 377 . 42 TYR N N 116.604 0.05 1 378 . 42 TYR H H 8.060 0.05 1 379 . 42 TYR CA C 60.052 0.05 1 380 . 42 TYR HA H 4.220 0.05 1 381 . 42 TYR CB C 37.163 0.05 1 382 . 42 TYR HB3 H 3.225 0.05 1 383 . 42 TYR HB2 H 2.815 0.05 1 384 . 42 TYR HD1 H 7.218 0.05 1 385 . 42 TYR HE1 H 6.719 0.05 1 386 . 42 TYR C C 177.309 0.05 1 387 . 43 GLU N N 120.418 0.05 1 388 . 43 GLU H H 8.028 0.05 1 389 . 43 GLU CA C 57.127 0.05 1 390 . 43 GLU HA H 4.203 0.05 1 391 . 43 GLU CB C 28.601 0.05 1 392 . 43 GLU HB3 H 2.186 0.05 1 393 . 43 GLU HB2 H 2.186 0.05 1 394 . 43 GLU HG3 H 2.483 0.05 1 395 . 43 GLU HG2 H 2.483 0.05 1 396 . 43 GLU C C 176.411 0.05 1 397 . 44 ASP N N 118.299 0.05 1 398 . 44 ASP H H 8.024 0.05 1 399 . 44 ASP CA C 53.621 0.05 1 400 . 44 ASP HA H 4.714 0.05 1 401 . 44 ASP CB C 39.610 0.05 1 402 . 44 ASP HB3 H 2.928 0.05 1 403 . 44 ASP HB2 H 2.823 0.05 1 404 . 44 ASP C C 176.391 0.05 1 405 . 45 GLY N N 109.017 0.05 1 406 . 45 GLY H H 8.016 0.05 1 407 . 45 GLY CA C 45.266 0.05 1 408 . 45 GLY HA3 H 3.901 0.05 1 409 . 45 GLY HA2 H 3.901 0.05 1 410 . 45 GLY C C 174.394 0.05 1 411 . 46 GLY N N 108.127 0.05 1 412 . 46 GLY H H 8.167 0.05 1 413 . 46 GLY CA C 44.972 0.05 1 414 . 46 GLY HA3 H 3.667 0.05 1 415 . 46 GLY HA2 H 3.504 0.05 1 416 . 46 GLY C C 173.116 0.05 1 417 . 47 ASP N N 119.570 0.05 1 418 . 47 ASP H H 8.137 0.05 1 419 . 47 ASP CA C 53.447 0.05 1 420 . 47 ASP HA H 4.615 0.05 1 421 . 47 ASP CB C 39.610 0.05 1 422 . 47 ASP HB3 H 2.814 0.05 1 423 . 47 ASP HB2 H 2.661 0.05 1 424 . 48 GLU N N 120.418 0.05 1 425 . 48 GLU H H 8.352 0.05 1 426 . 48 GLU CA C 55.970 0.05 1 427 . 48 GLU HA H 4.180 0.05 1 428 . 48 GLU CB C 30.206 0.05 1 429 . 48 GLU HB3 H 1.957 0.05 1 430 . 48 GLU HB2 H 1.890 0.05 1 431 . 48 GLU HG3 H 2.326 0.05 1 432 . 48 GLU HG2 H 2.326 0.05 1 433 . 49 ASP N N 120.206 0.05 1 434 . 49 ASP H H 8.354 0.05 1 435 . 49 ASP CA C 53.785 0.05 1 436 . 49 ASP HA H 4.602 0.05 1 437 . 49 ASP CB C 39.839 0.05 1 438 . 49 ASP HB3 H 2.737 0.05 1 439 . 49 ASP HB2 H 2.655 0.05 1 440 . 50 ILE N N 120.206 0.05 1 441 . 50 ILE H H 7.873 0.05 1 442 . 50 ILE CA C 60.862 0.05 1 443 . 50 ILE HA H 4.120 0.05 1 444 . 50 ILE CB C 37.928 0.05 1 445 . 50 ILE HB H 1.880 0.05 1 446 . 50 ILE HG13 H 1.437 0.05 1 447 . 50 ILE HG12 H 1.171 0.05 1 448 . 50 ILE HD1 H 0.856 0.05 1 449 . 50 ILE HG2 H 0.856 0.05 1 450 . 51 VAL N N 123.597 0.05 1 451 . 51 VAL H H 8.061 0.05 1 452 . 51 VAL CA C 62.369 0.05 1 453 . 51 VAL HA H 4.114 0.05 1 454 . 51 VAL CB C 31.888 0.05 1 455 . 51 VAL HB H 2.086 0.05 1 456 . 51 VAL HG2 H 0.922 0.05 1 457 . 51 VAL HG1 H 0.921 0.05 1 458 . 52 THR N N 117.621 0.05 1 459 . 52 THR H H 8.213 0.05 1 460 . 52 THR CA C 61.747 0.05 1 461 . 52 THR HA H 4.333 0.05 1 462 . 52 THR CB C 68.661 0.05 1 463 . 52 THR HB H 4.154 0.05 1 464 . 52 THR HG2 H 1.141 0.05 1 465 . 53 ILE N N 122.749 0.05 1 466 . 53 ILE H H 8.122 0.05 1 467 . 53 ILE CA C 60.895 0.05 1 468 . 53 ILE HA H 4.341 0.05 1 469 . 53 ILE CB C 38.081 0.05 1 470 . 53 ILE HB H 1.869 0.05 1 471 . 53 ILE HG13 H 1.466 0.05 1 472 . 53 ILE HG12 H 1.175 0.05 1 473 . 53 ILE HD1 H 0.841 0.05 1 474 . 53 ILE HG2 H 0.893 0.05 1 475 . 54 SER N N 119.147 0.05 1 476 . 54 SER H H 8.300 0.05 1 477 . 54 SER HA H 4.437 0.05 1 478 . 54 SER HB3 H 3.866 0.05 1 479 . 54 SER HB2 H 3.866 0.05 1 480 . 55 GLN N N 121.902 0.05 1 481 . 55 GLN H H 8.281 0.05 1 482 . 55 GLN HA H 4.350 0.05 1 483 . 55 GLN HB3 H 2.139 0.05 1 484 . 55 GLN HB2 H 1.977 0.05 1 485 . 55 GLN HG3 H 2.370 0.05 1 486 . 55 GLN HG2 H 2.370 0.05 1 487 . 56 ALA N N 124.657 0.05 1 488 . 56 ALA H H 8.215 0.05 1 489 . 56 ALA CA C 51.885 0.05 1 490 . 56 ALA HA H 4.345 0.05 1 491 . 56 ALA CB C 18.815 0.05 1 492 . 56 ALA HB H 1.377 0.05 1 493 . 57 THR N N 115.756 0.05 1 494 . 57 THR H H 8.139 0.05 1 495 . 57 THR CA C 59.093 0.05 1 496 . 57 THR HA H 4.595 0.05 1 497 . 57 THR CB C 68.737 0.05 1 498 . 57 THR HB H 4.175 0.05 1 499 . 57 THR HG2 H 1.246 0.05 1 500 . 58 PRO CA C 62.861 0.05 1 501 . 58 PRO HA H 4.363 0.05 1 502 . 58 PRO CB C 31.583 0.05 1 503 . 58 PRO HB3 H 2.240 0.05 1 504 . 58 PRO HB2 H 1.852 0.05 1 505 . 59 SER N N 115.756 0.05 1 506 . 59 SER H H 8.438 0.05 1 507 . 59 SER CA C 57.946 0.05 1 508 . 59 SER HA H 4.444 0.05 1 509 . 59 SER CB C 62.851 0.05 1 510 . 59 SER HB3 H 3.914 0.05 1 511 . 59 SER HB2 H 3.875 0.05 1 512 . 60 SER N N 117.663 0.05 1 513 . 60 SER H H 8.332 0.05 1 514 . 60 SER CA C 58.012 0.05 1 515 . 60 SER HA H 4.454 0.05 1 516 . 60 SER CB C 62.851 0.05 1 517 . 60 SER HB3 H 3.885 0.05 1 518 . 60 SER HB2 H 3.884 0.05 1 519 . 61 VAL N N 121.054 0.05 1 520 . 61 VAL H H 8.023 0.05 1 521 . 61 VAL CA C 61.845 0.05 1 522 . 61 VAL HA H 4.167 0.05 1 523 . 61 VAL CB C 32.118 0.05 1 524 . 61 VAL HB H 2.096 0.05 1 525 . 61 VAL HG2 H 0.925 0.05 1 526 . 61 VAL HG1 H 0.925 0.05 1 527 . 62 SER H H 8.256 0.05 1 528 . 62 SER CA C 57.782 0.05 1 529 . 62 SER HA H 4.298 0.05 1 530 . 62 SER CB C 62.851 0.05 1 531 . 62 SER HB3 H 3.924 0.05 1 532 . 62 SER HB2 H 3.877 0.05 1 533 . 63 ARG N N 123.385 0.05 1 534 . 63 ARG H H 8.402 0.05 1 535 . 63 ARG CA C 55.554 0.05 1 536 . 63 ARG HA H 4.376 0.05 1 537 . 63 ARG CB C 30.359 0.05 1 538 . 63 ARG HB3 H 1.795 0.05 1 539 . 63 ARG HB2 H 1.795 0.05 1 540 . 64 GLY N N 109.610 0.05 1 541 . 64 GLY H H 8.392 0.05 1 542 . 64 GLY CA C 44.677 0.05 1 543 . 64 GLY HA3 H 4.005 0.05 1 544 . 64 GLY HA2 H 4.005 0.05 1 545 . 65 THR N N 113.637 0.05 1 546 . 65 THR H H 8.055 0.05 1 547 . 65 THR CA C 60.928 0.05 1 548 . 65 THR HA H 4.334 0.05 1 549 . 65 THR CB C 68.967 0.05 1 550 . 65 THR HB H 4.200 0.05 1 551 . 65 THR HG2 H 1.189 0.05 1 552 . 66 ALA N N 128.047 0.05 1 553 . 66 ALA H H 8.400 0.05 1 554 . 66 ALA CA C 49.919 0.05 1 555 . 66 ALA HA H 4.627 0.05 1 556 . 66 ALA CB C 17.974 0.05 1 557 . 66 ALA HB H 1.369 0.05 1 558 . 67 PRO CA C 62.632 0.05 1 559 . 67 PRO HA H 4.354 0.05 1 560 . 67 PRO CB C 31.506 0.05 1 561 . 67 PRO HB3 H 2.312 0.05 1 562 . 67 PRO HB2 H 1.948 0.05 1 563 . 68 SER N N 115.120 0.05 1 564 . 68 SER H H 8.345 0.05 1 565 . 68 SER CA C 57.750 0.05 1 566 . 68 SER HA H 4.433 0.05 1 567 . 68 SER CB C 63.233 0.05 1 568 . 68 SER HB3 H 3.906 0.05 1 569 . 68 SER HB2 H 3.829 0.05 1 570 . 69 ASP N N 122.113 0.05 1 571 . 69 ASP H H 8.279 0.05 1 572 . 69 ASP HA H 4.626 0.05 1 573 . 69 ASP HB3 H 2.680 0.05 1 574 . 70 ASN N N 119.358 0.05 1 575 . 70 ASN H H 8.340 0.05 1 576 . 70 ASN HA H 4.674 0.05 1 577 . 70 ASN HB3 H 2.764 0.05 1 578 . 71 ARG N N 121.054 0.05 1 579 . 71 ARG H H 8.242 0.05 1 580 . 71 ARG HA H 4.566 0.05 1 581 . 71 ARG HB3 H 1.805 0.05 1 582 . 71 ARG HG3 H 1.612 0.05 1 583 . 72 VAL CA C 62.271 0.05 1 584 . 72 VAL HA H 4.080 0.05 1 585 . 72 VAL CB C 31.965 0.05 1 586 . 72 VAL HB H 2.079 0.05 1 587 . 72 VAL HG2 H 0.895 0.05 1 588 . 72 VAL HG1 H 0.895 0.05 1 589 . 73 THR N N 118.087 0.05 1 590 . 73 THR H H 8.146 0.05 1 591 . 73 THR CA C 61.485 0.05 1 592 . 73 THR HA H 4.296 0.05 1 593 . 73 THR CB C 68.890 0.05 1 594 . 73 THR HB H 4.168 0.05 1 595 . 73 THR HG2 H 1.178 0.05 1 596 . 74 SER N N 118.299 0.05 1 597 . 74 SER H H 8.304 0.05 1 598 . 74 SER CA C 57.782 0.05 1 599 . 74 SER HA H 4.379 0.05 1 600 . 74 SER CB C 63.157 0.05 1 601 . 74 SER HB3 H 3.857 0.05 1 602 . 74 SER HB2 H 3.857 0.05 1 603 . 75 PHE N N 122.537 0.05 1 604 . 75 PHE H H 8.305 0.05 1 605 . 75 PHE CA C 57.684 0.05 1 606 . 75 PHE CB C 38.845 0.05 1 607 . 75 PHE HB3 H 3.124 0.05 1 608 . 75 PHE HB2 H 3.040 0.05 1 609 . 76 ARG N N 121.690 0.05 1 610 . 76 ARG H H 8.097 0.05 1 611 . 76 ARG HA H 4.192 0.05 1 612 . 76 ARG HB3 H 1.767 0.05 1 613 . 77 ASP N N 120.842 0.05 1 614 . 77 ASP H H 8.186 0.05 1 615 . 77 ASP HA H 4.557 0.05 1 616 . 77 ASP HB3 H 2.763 0.05 1 617 . 77 ASP HB2 H 2.628 0.05 1 618 . 78 LEU N N 121.690 0.05 1 619 . 78 LEU H H 8.024 0.05 1 620 . 79 ILE N N 119.782 0.05 1 621 . 79 ILE H H 7.931 0.05 1 622 . 79 ILE HB H 1.797 0.05 1 623 . 80 HIS N N 121.690 0.05 1 624 . 80 HIS H H 8.415 0.05 1 625 . 80 HIS HA H 4.590 0.05 1 626 . 80 HIS HB3 H 3.290 0.05 1 627 . 80 HIS HB2 H 3.139 0.05 1 628 . 90 GLU N N 121.266 0.05 1 629 . 90 GLU H H 8.451 0.05 1 630 . 90 GLU HA H 4.192 0.05 1 631 . 90 GLU HB3 H 2.072 0.05 1 632 . 90 GLU HB2 H 2.011 0.05 1 633 . 90 GLU HG3 H 2.331 0.05 1 634 . 90 GLU HG2 H 2.330 0.05 1 635 . 91 GLY N N 108.974 0.05 1 636 . 91 GLY H H 8.386 0.05 1 637 . 91 GLY HA3 H 3.954 0.05 1 638 . 91 GLY HA2 H 3.954 0.05 1 639 . 92 GLN N N 119.359 0.05 1 640 . 92 GLN H H 8.110 0.05 1 641 . 92 GLN HA H 4.263 0.05 1 642 . 92 GLN HB3 H 2.067 0.05 1 643 . 92 GLN HB2 H 1.972 0.05 1 644 . 92 GLN HG3 H 2.311 0.05 1 645 . 92 GLN HG2 H 2.311 0.05 1 646 . 92 GLN NE2 N 112.399 0.05 1 647 . 92 GLN HE21 H 6.823 0.05 1 648 . 92 GLN HE22 H 7.573 0.05 1 649 . 94 PHE N N 120.206 0.05 1 650 . 94 PHE H H 8.150 0.05 1 651 . 94 PHE HA H 4.577 0.05 1 652 . 94 PHE HB3 H 3.019 0.05 1 653 . 94 PHE HB2 H 2.920 0.05 1 654 . 95 TYR N N 121.690 0.05 1 655 . 95 TYR H H 8.086 0.05 1 656 . 95 TYR CA C 57.094 0.05 1 657 . 95 TYR HA H 4.517 0.05 1 658 . 95 TYR CB C 38.692 0.05 1 659 . 95 TYR HB3 H 3.000 0.05 1 660 . 95 TYR HB2 H 2.894 0.05 1 661 . 95 TYR HD1 H 7.080 0.05 1 662 . 95 TYR HE1 H 6.792 0.05 1 663 . 96 ALA N N 126.352 0.05 1 664 . 96 ALA H H 8.274 0.05 1 665 . 96 ALA CA C 51.819 0.05 1 666 . 96 ALA HA H 4.273 0.05 1 667 . 96 ALA CB C 18.968 0.05 1 668 . 96 ALA HB H 1.860 0.05 1 669 . 97 GLY N N 107.703 0.05 1 670 . 97 GLY H H 7.849 0.05 1 671 . 97 GLY CA C 44.775 0.05 1 672 . 97 GLY HA3 H 3.918 0.05 1 673 . 97 GLY HA2 H 3.918 0.05 1 674 . 98 GLY N N 108.551 0.05 1 675 . 98 GLY H H 8.255 0.05 1 676 . 98 GLY CA C 44.677 0.05 1 677 . 98 GLY HA3 H 4.004 0.05 1 678 . 98 GLY HA2 H 4.004 0.05 1 679 . 99 SER N N 115.544 0.05 1 680 . 99 SER H H 8.266 0.05 1 681 . 99 SER CA C 57.946 0.05 1 682 . 99 SER HA H 4.444 0.05 1 683 . 99 SER CB C 63.080 0.05 1 684 . 99 SER HB3 H 3.884 0.05 1 685 . 99 SER HB2 H 3.884 0.05 1 686 . 100 GLU N N 122.537 0.05 1 687 . 100 GLU H H 8.610 0.05 1 688 . 100 GLU CA C 56.341 0.05 1 689 . 100 GLU HA H 4.283 0.05 1 690 . 100 GLU CB C 29.136 0.05 1 691 . 100 GLU HB3 H 2.056 0.05 1 692 . 100 GLU HB2 H 1.957 0.05 1 693 . 100 GLU HG3 H 2.281 0.05 1 694 . 100 GLU HG2 H 2.281 0.05 1 695 . 102 SER CA C 57.979 0.05 1 696 . 102 SER HA H 4.422 0.05 1 697 . 102 SER CB C 62.927 0.05 1 698 . 102 SER HB3 H 3.886 0.05 1 699 . 102 SER HB2 H 3.886 0.05 1 700 . 103 GLY N N 110.670 0.05 1 701 . 103 GLY H H 8.468 0.05 1 702 . 103 GLY CA C 44.677 0.05 1 703 . 103 GLY HA3 H 3.968 0.05 1 704 . 103 GLY HA2 H 3.966 0.05 1 705 . 104 GLN N N 119.570 0.05 1 706 . 104 GLN H H 8.172 0.05 1 707 . 104 GLN CA C 55.456 0.05 1 708 . 104 GLN HA H 4.319 0.05 1 709 . 104 GLN CB C 32.729 0.05 1 710 . 104 GLN HB3 H 2.087 0.05 1 711 . 104 GLN HB2 H 1.952 0.05 1 712 . 104 GLN HG3 H 2.318 0.05 1 713 . 104 GLN HG2 H 2.318 0.05 1 714 . 105 GLN N N 121.902 0.05 1 715 . 105 GLN H H 8.448 0.05 1 716 . 105 GLN CA C 55.161 0.05 1 717 . 105 GLN HA H 4.321 0.05 1 718 . 105 GLN CB C 32.271 0.05 1 719 . 105 GLN HB3 H 2.064 0.05 1 720 . 105 GLN HB2 H 1.958 0.05 1 721 . 105 GLN HG2 H 2.315 0.05 1 722 . 106 ILE N N 122.749 0.05 1 723 . 106 ILE H H 8.244 0.05 1 724 . 106 ILE CA C 60.404 0.05 1 725 . 106 ILE HA H 4.179 0.05 1 726 . 106 ILE CB C 38.004 0.05 1 727 . 106 ILE HB H 1.823 0.05 1 728 . 106 ILE HG13 H 1.441 0.05 1 729 . 106 ILE HG12 H 1.137 0.05 1 730 . 106 ILE HD1 H 0.856 0.05 1 731 . 106 ILE HG2 H 0.921 0.05 1 732 . 107 VAL N N 124.657 0.05 1 733 . 107 VAL H H 8.245 0.05 1 734 . 107 VAL CA C 61.485 0.05 1 735 . 107 VAL HA H 4.172 0.05 1 736 . 107 VAL CB C 32.347 0.05 1 737 . 107 VAL HB H 2.047 0.05 1 738 . 107 VAL HG2 H 0.919 0.05 1 739 . 107 VAL HG1 H 0.919 0.05 1 740 . 108 GLY N N 113.001 0.05 1 741 . 108 GLY H H 8.269 0.05 1 742 . 108 GLY CA C 43.726 0.05 1 743 . 108 GLY HA3 H 4.013 0.05 1 744 . 108 GLY HA2 H 4.013 0.05 1 745 . 115 PRO CA C 63.516 0.05 1 746 . 115 PRO HA H 4.379 0.05 1 747 . 115 PRO CB C 31.430 0.05 1 748 . 115 PRO HB3 H 2.310 0.05 1 749 . 115 PRO HB2 H 1.941 0.05 1 750 . 115 PRO HG3 H 2.029 0.05 1 751 . 115 PRO HG2 H 2.029 0.05 1 752 . 115 PRO HD3 H 3.926 0.05 1 753 . 115 PRO HD2 H 3.786 0.05 1 754 . 116 ASN N N 116.486 0.05 1 755 . 116 ASN H H 8.330 0.05 1 756 . 116 ASN CA C 53.130 0.05 1 757 . 116 ASN HA H 4.622 0.05 1 758 . 116 ASN CB C 37.928 0.05 1 759 . 116 ASN HB3 H 2.826 0.05 1 760 . 116 ASN HB2 H 2.720 0.05 1 761 . 116 ASN ND2 N 113.034 0.05 1 762 . 116 ASN HD21 H 6.945 0.05 1 763 . 116 ASN HD22 H 7.636 0.05 1 764 . 117 GLU N N 120.559 0.05 1 765 . 117 GLU H H 8.084 0.05 1 766 . 117 GLU CA C 56.275 0.05 1 767 . 117 GLU HA H 4.249 0.05 1 768 . 117 GLU CB C 29.748 0.05 1 769 . 117 GLU HB3 H 2.030 0.05 1 770 . 117 GLU HB2 H 2.030 0.05 1 771 . 117 GLU HG3 H 2.274 0.05 1 772 . 117 GLU HG2 H 2.274 0.05 1 773 . 118 LEU N N 122.325 0.05 1 774 . 118 LEU H H 8.134 0.05 1 775 . 118 LEU CA C 54.932 0.05 1 776 . 118 LEU HA H 4.330 0.05 1 777 . 118 LEU CB C 41.521 0.05 1 778 . 118 LEU HB3 H 1.598 0.05 1 779 . 118 LEU HB2 H 1.598 0.05 1 780 . 119 VAL N N 119.782 0.05 1 781 . 119 VAL H H 7.930 0.05 1 782 . 119 VAL CA C 62.140 0.05 1 783 . 119 VAL HA H 4.052 0.05 1 784 . 119 VAL CB C 32.118 0.05 1 785 . 119 VAL HB H 2.086 0.05 1 786 . 119 VAL HG2 H 0.926 0.05 1 787 . 119 VAL HG1 H 0.927 0.05 1 788 . 120 ASP N N 123.173 0.05 1 789 . 120 ASP H H 8.256 0.05 1 790 . 120 ASP HA H 4.582 0.05 1 791 . 120 ASP HB3 H 2.653 0.05 1 792 . 121 ASP N N 120.630 0.05 1 793 . 121 ASP H H 8.243 0.05 1 794 . 121 ASP HA H 4.563 0.05 1 795 . 121 ASP HB3 H 2.672 0.05 1 796 . 122 LEU N N 121.690 0.05 1 797 . 122 LEU H H 8.123 0.05 1 798 . 122 LEU HA H 4.130 0.05 1 799 . 122 LEU HB3 H 1.520 0.05 1 800 . 122 LEU HB2 H 1.326 0.05 1 801 . 123 PHE N N 118.723 0.05 1 802 . 123 PHE H H 8.114 0.05 1 803 . 123 PHE CA C 57.652 0.05 1 804 . 123 PHE HA H 4.558 0.05 1 805 . 123 PHE CB C 38.387 0.05 1 806 . 123 PHE HB3 H 3.208 0.05 1 807 . 123 PHE HB2 H 3.042 0.05 1 808 . 124 LYS N N 122.113 0.05 1 809 . 124 LYS H H 8.024 0.05 1 810 . 124 LYS CA C 55.129 0.05 1 811 . 124 LYS HA H 4.201 0.05 1 812 . 124 LYS CB C 32.271 0.05 1 813 . 124 LYS HB3 H 1.824 0.05 1 814 . 124 LYS HB2 H 1.763 0.05 1 815 . 124 LYS HG3 H 1.423 0.05 1 816 . 124 LYS HG2 H 1.366 0.05 1 817 . 125 GLY N N 108.762 0.05 1 818 . 125 GLY H H 8.034 0.05 1 819 . 125 GLY CA C 44.709 0.05 1 820 . 125 GLY HA3 H 3.897 0.05 1 821 . 125 GLY HA2 H 3.994 0.05 1 822 . 126 ALA N N 123.544 0.05 1 823 . 126 ALA H H 8.049 0.05 1 824 . 126 ALA CA C 52.147 0.05 1 825 . 126 ALA HA H 4.309 0.05 1 826 . 126 ALA CB C 18.739 0.05 1 827 . 126 ALA HB H 1.398 0.05 1 828 . 127 LYS N N 119.782 0.05 1 829 . 127 LYS H H 8.271 0.05 1 830 . 127 LYS CA C 56.013 0.05 1 831 . 127 LYS HA H 4.295 0.05 1 832 . 127 LYS CB C 32.424 0.05 1 833 . 127 LYS HB3 H 1.747 0.05 1 834 . 127 LYS HB2 H 1.747 0.05 1 835 . 128 GLU HA H 4.214 0.05 1 836 . 128 GLU HB3 H 1.968 0.05 1 837 . 128 GLU HB2 H 1.899 0.05 1 838 . 129 HIS N N 118.723 0.05 1 839 . 129 HIS H H 8.477 0.05 1 840 . 129 HIS CA C 54.866 0.05 1 841 . 129 HIS HA H 4.690 0.05 1 842 . 129 HIS CB C 28.525 0.05 1 843 . 129 HIS HB3 H 3.286 0.05 1 844 . 129 HIS HB2 H 3.174 0.05 1 845 . 130 GLY N N 109.822 0.05 1 846 . 130 GLY H H 8.411 0.05 1 847 . 130 GLY CA C 44.611 0.05 1 848 . 130 GLY HA3 H 3.949 0.05 1 849 . 130 GLY HA2 H 3.949 0.05 1 850 . 131 ALA N N 123.809 0.05 1 851 . 131 ALA H H 8.193 0.05 1 852 . 131 ALA CA C 51.819 0.05 1 853 . 131 ALA HA H 4.354 0.05 1 854 . 131 ALA CB C 18.968 0.05 1 855 . 131 ALA HB H 1.362 0.05 1 856 . 132 VAL N N 119.528 0.05 1 857 . 132 VAL H H 8.082 0.05 1 858 . 132 VAL CA C 61.419 0.05 1 859 . 132 VAL HA H 4.089 0.05 1 860 . 132 VAL CB C 32.271 0.05 1 861 . 132 VAL HB H 2.040 0.05 1 862 . 132 VAL HG2 H 0.919 0.05 1 863 . 132 VAL HG1 H 0.920 0.05 1 864 . 133 ALA N N 128.047 0.05 1 865 . 133 ALA H H 8.356 0.05 1 866 . 133 ALA CA C 51.754 0.05 1 867 . 133 ALA HA H 4.359 0.05 1 868 . 133 ALA CB C 18.815 0.05 1 869 . 133 ALA HB H 1.354 0.05 1 870 . 134 VAL N N 119.994 0.05 1 871 . 134 VAL H H 8.083 0.05 1 872 . 134 VAL CA C 61.649 0.05 1 873 . 134 VAL HA H 4.076 0.05 1 874 . 134 VAL CB C 32.347 0.05 1 875 . 134 VAL HB H 2.031 0.05 1 876 . 134 VAL HG2 H 0.919 0.05 1 877 . 134 VAL HG1 H 0.919 0.05 1 878 . 135 GLU N N 124.657 0.05 1 879 . 135 GLU H H 8.464 0.05 1 880 . 135 GLU CA C 55.882 0.05 1 881 . 135 GLU HA H 4.297 0.05 1 882 . 135 GLU CB C 29.748 0.05 1 883 . 135 GLU HB3 H 2.022 0.05 1 884 . 135 GLU HB2 H 1.924 0.05 1 885 . 135 GLU HG3 H 2.258 0.05 1 886 . 135 GLU HG2 H 2.258 0.05 1 887 . 136 ARG N N 126.988 0.05 1 888 . 136 ARG H H 7.975 0.05 1 889 . 136 ARG CA C 56.963 0.05 1 890 . 136 ARG HA H 4.357 0.05 1 891 . 136 ARG CB C 33.112 0.05 1 892 . 136 ARG HB3 H 1.824 0.05 1 893 . 136 ARG HB2 H 1.758 0.05 1 894 . 136 ARG HG3 H 1.631 0.05 1 895 . 136 ARG HG2 H 1.631 0.05 1 896 . 137 VAL N N 121.690 0.05 1 897 . 137 VAL H H 8.208 0.05 1 898 . 137 VAL CA C 61.681 0.05 1 899 . 137 VAL HA H 4.181 0.05 1 900 . 137 VAL CB C 32.194 0.05 1 901 . 137 VAL HB H 2.072 0.05 1 902 . 137 VAL HG2 H 0.924 0.05 1 903 . 137 VAL HG1 H 0.920 0.05 1 904 . 138 THR N N 118.935 0.05 1 905 . 138 THR H H 8.296 0.05 1 906 . 138 THR CA C 61.026 0.05 1 907 . 138 THR HA H 4.346 0.05 1 908 . 138 THR CB C 68.967 0.05 1 909 . 138 THR HB H 4.159 0.05 1 910 . 138 THR HG2 H 1.179 0.05 1 911 . 139 LYS N N 124.233 0.05 1 912 . 139 LYS H H 8.365 0.05 1 913 . 139 LYS CA C 55.325 0.05 1 914 . 139 LYS HA H 4.358 0.05 1 915 . 139 LYS CB C 32.806 0.05 1 916 . 139 LYS HB3 H 1.809 0.05 1 917 . 139 LYS HB2 H 1.809 0.05 1 918 . 139 LYS HG3 H 1.413 0.05 1 919 . 139 LYS HG2 H 1.413 0.05 1 920 . 139 LYS HD3 H 1.730 0.05 1 921 . 139 LYS HD2 H 1.730 0.05 1 922 . 140 SER N N 119.147 0.05 1 923 . 140 SER H H 8.488 0.05 1 924 . 140 SER CA C 55.784 0.05 1 925 . 140 SER HA H 4.381 0.05 1 926 . 140 SER CB C 62.698 0.05 1 927 . 140 SER HB3 H 3.851 0.05 1 928 . 140 SER HB2 H 3.851 0.05 1 929 . 141 PRO CA C 63.123 0.05 1 930 . 141 PRO HA H 4.425 0.05 1 931 . 141 PRO CB C 31.430 0.05 1 932 . 141 PRO HB3 H 2.304 0.05 1 933 . 141 PRO HB2 H 1.975 0.05 1 934 . 142 GLY N N 108.762 0.05 1 935 . 142 GLY H H 8.417 0.05 1 936 . 142 GLY CA C 44.513 0.05 1 937 . 142 GLY HA3 H 3.948 0.05 1 938 . 142 GLY HA2 H 3.949 0.05 1 939 . 143 GLU N N 120.630 0.05 1 940 . 143 GLU H H 8.157 0.05 1 941 . 143 GLU CA C 55.948 0.05 1 942 . 143 GLU HA H 4.289 0.05 1 943 . 143 GLU CB C 29.901 0.05 1 944 . 143 GLU HB3 H 2.087 0.05 1 945 . 143 GLU HB2 H 1.991 0.05 1 946 . 143 GLU HG3 H 2.285 0.05 1 947 . 144 THR N N 114.908 0.05 1 948 . 144 THR H H 8.246 0.05 1 949 . 144 THR CA C 61.288 0.05 1 950 . 144 THR HA H 4.371 0.05 1 951 . 144 THR CB C 68.814 0.05 1 952 . 144 THR HB H 4.263 0.05 1 953 . 144 THR HG2 H 1.212 0.05 1 954 . 145 SER N N 118.001 0.05 1 955 . 145 SER H H 8.226 0.05 1 956 . 145 SER CA C 57.422 0.05 1 957 . 145 SER CB C 63.157 0.05 1 958 . 146 LYS N N 122.011 0.05 1 959 . 146 LYS H H 8.283 0.05 1 960 . 147 PRO CA C 62.337 0.05 1 961 . 147 PRO HA H 4.404 0.05 1 962 . 147 PRO CB C 31.659 0.05 1 963 . 147 PRO HB3 H 2.265 0.05 1 964 . 147 PRO HB2 H 2.166 0.05 1 965 . 148 ARG N N 122.537 0.05 1 966 . 148 ARG H H 8.451 0.05 1 967 . 148 ARG CA C 53.261 0.05 1 968 . 148 ARG HA H 4.573 0.05 1 969 . 148 ARG CB C 29.671 0.05 1 970 . 148 ARG HB3 H 1.804 0.05 1 971 . 148 ARG HB2 H 1.804 0.05 1 972 . 148 ARG HG3 H 1.685 0.05 1 973 . 148 ARG HG2 H 1.685 0.05 1 974 . 150 PHE CA C 57.324 0.05 1 975 . 150 PHE HA H 4.511 0.05 1 976 . 150 PHE CB C 38.234 0.05 1 977 . 150 PHE HB3 H 2.949 0.05 1 978 . 150 PHE HB2 H 2.849 0.05 1 979 . 151 ALA N N 123.173 0.05 1 980 . 151 ALA H H 8.183 0.05 1 981 . 151 ALA CA C 55.030 0.05 1 982 . 151 ALA CB C 19.045 0.05 1 983 . 151 ALA HB H 1.483 0.05 1 984 . 154 GLY HA3 H 3.880 0.05 1 985 . 155 TYR N N 119.994 0.05 1 986 . 155 TYR H H 8.037 0.05 1 987 . 155 TYR HA H 4.512 0.05 1 988 . 155 TYR HB3 H 2.910 0.05 1 989 . 156 ARG N N 122.043 0.05 1 990 . 156 ARG H H 8.020 0.05 1 991 . 157 LEU CA C 54.768 0.05 1 992 . 157 LEU HA H 4.270 0.05 1 993 . 157 LEU CB C 41.750 0.05 1 994 . 157 LEU HB3 H 1.598 0.05 1 995 . 157 LEU HB2 H 1.598 0.05 1 996 . 158 GLY N N 110.458 0.05 1 997 . 158 GLY H H 8.443 0.05 1 998 . 158 GLY CA C 44.611 0.05 1 999 . 158 GLY HA3 H 3.949 0.05 1 1000 . 158 GLY HA2 H 3.884 0.05 1 1001 . 159 ALA N N 123.385 0.05 1 1002 . 159 ALA H H 8.024 0.05 1 1003 . 159 ALA CA C 51.328 0.05 1 1004 . 159 ALA HA H 4.330 0.05 1 1005 . 159 ALA CB C 19.427 0.05 1 1006 . 159 ALA HB H 1.346 0.05 1 1007 . 160 ALA N N 124.657 0.05 1 1008 . 160 ALA H H 8.304 0.05 1 1009 . 160 ALA CA C 49.788 0.05 1 1010 . 160 ALA HA H 4.531 0.05 1 1011 . 160 ALA CB C 17.974 0.05 1 1012 . 164 GLU CA C 53.844 0.05 1 1013 . 164 GLU HA H 4.270 0.05 1 1014 . 164 GLU CB C 29.595 0.05 1 1015 . 164 GLU HB3 H 1.751 0.05 1 1016 . 164 GLU HB2 H 1.640 0.05 1 1017 . 165 SER N N 116.604 0.05 1 1018 . 165 SER H H 8.295 0.05 1 1019 . 165 SER CA C 57.979 0.05 1 1020 . 165 SER HA H 4.384 0.05 1 1021 . 165 SER CB C 62.851 0.05 1 1022 . 165 SER HB3 H 3.859 0.05 1 1023 . 165 SER HB2 H 3.859 0.05 1 1024 . 166 ALA N N 125.504 0.05 1 1025 . 166 ALA H H 8.207 0.05 1 1026 . 166 ALA CA C 52.016 0.05 1 1027 . 166 ALA HA H 4.286 0.05 1 1028 . 166 ALA CB C 18.815 0.05 1 1029 . 166 ALA HB H 1.308 0.05 1 1030 . 167 TYR N N 119.570 0.05 1 1031 . 167 TYR H H 8.050 0.05 1 1032 . 167 TYR CA C 57.488 0.05 1 1033 . 167 TYR HA H 4.513 0.05 1 1034 . 167 TYR CB C 38.157 0.05 1 1035 . 167 TYR HB3 H 2.971 0.05 1 1036 . 167 TYR HB2 H 2.972 0.05 1 1037 . 168 VAL N N 123.809 0.05 1 1038 . 168 VAL H H 7.902 0.05 1 1039 . 168 VAL CA C 61.255 0.05 1 1040 . 168 VAL HA H 3.983 0.05 1 1041 . 168 VAL CB C 32.500 0.05 1 1042 . 168 VAL HB H 1.954 0.05 1 1043 . 168 VAL HG2 H 0.876 0.05 1 1044 . 168 VAL HG1 H 0.877 0.05 1 1045 . 169 ALA N N 127.835 0.05 1 1046 . 169 ALA H H 8.244 0.05 1 1047 . 169 ALA CA C 52.081 0.05 1 1048 . 169 ALA HA H 4.216 0.05 1 1049 . 169 ALA CB C 18.892 0.05 1 1050 . 169 ALA HB H 1.398 0.05 1 1051 . 170 GLY N N 108.127 0.05 1 1052 . 170 GLY H H 8.256 0.05 1 1053 . 170 GLY CA C 44.611 0.05 1 1054 . 170 GLY HA3 H 3.948 0.05 1 1055 . 170 GLY HA2 H 3.948 0.05 1 1056 . 172 ARG N N 120.773 0.05 1 1057 . 172 ARG H H 8.205 0.05 1 stop_ save_