data_5755 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of Human Phosphatase Regenerating Liver 2 (PRL-2) ; _BMRB_accession_number 5755 _BMRB_flat_file_name bmr5755.str _Entry_type original _Submission_date 2003-03-24 _Accession_date 2003-03-24 _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 Zhou Hongjun . . 2 Gallina Marijo . . 3 Mao Helen . . 4 Betz Stephen F. . 5 Fetrow Jacquelyn S. . 6 Domaille Peter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 847 "13C chemical shifts" 672 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-09-28 original author . stop_ _Original_release_date 2003-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments and secondary structure of the human protein tyrosine phosphatase, PRL-2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Hongjun . . 2 Gallina Marijo . . 3 Mao Hongyuan . . 4 Nietlispach Daniel . . 5 Betz Stephen F. . 6 Fetrow Jacquelyn . . 7 Domaille Peter J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 397 _Page_last 398 _Year 2003 _Details . loop_ _Keyword PRL-2 'Tyrosine Phosphatase' stop_ save_ ################################## # Molecular system description # ################################## save_system_PRL-2 _Saveframe_category molecular_system _Mol_system_name 'Phosphatase Regenerating Liver 2' _Abbreviation_common PRL-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PRL-2 $PRL-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Protein tyrosine phosphatse' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PRL-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Phosphatse Regenerating Liver 2' _Abbreviation_common PRL-2 _Molecular_mass 22310 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GSASNRPAPVEISYENMRFL ITHNPTNATLNKFTEELKKY GVTTLVRVCDATYDKAPVEK EGIHVLDWPFDDGAPPPNQI VDDWLNLLKTKFREEPGCCV AVHCVAGLGRAPVLVALALI ECGMKYEDAVQFIRQKRRGA FNSKQLLYLEKYRPKMRLRF RDTNGHCCVQLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 ALA 4 1 SER 5 2 ASN 6 3 ARG 7 4 PRO 8 5 ALA 9 6 PRO 10 7 VAL 11 8 GLU 12 9 ILE 13 10 SER 14 11 TYR 15 12 GLU 16 13 ASN 17 14 MET 18 15 ARG 19 16 PHE 20 17 LEU 21 18 ILE 22 19 THR 23 20 HIS 24 21 ASN 25 22 PRO 26 23 THR 27 24 ASN 28 25 ALA 29 26 THR 30 27 LEU 31 28 ASN 32 29 LYS 33 30 PHE 34 31 THR 35 32 GLU 36 33 GLU 37 34 LEU 38 35 LYS 39 36 LYS 40 37 TYR 41 38 GLY 42 39 VAL 43 40 THR 44 41 THR 45 42 LEU 46 43 VAL 47 44 ARG 48 45 VAL 49 46 CYS 50 47 ASP 51 48 ALA 52 49 THR 53 50 TYR 54 51 ASP 55 52 LYS 56 53 ALA 57 54 PRO 58 55 VAL 59 56 GLU 60 57 LYS 61 58 GLU 62 59 GLY 63 60 ILE 64 61 HIS 65 62 VAL 66 63 LEU 67 64 ASP 68 65 TRP 69 66 PRO 70 67 PHE 71 68 ASP 72 69 ASP 73 70 GLY 74 71 ALA 75 72 PRO 76 73 PRO 77 74 PRO 78 75 ASN 79 76 GLN 80 77 ILE 81 78 VAL 82 79 ASP 83 80 ASP 84 81 TRP 85 82 LEU 86 83 ASN 87 84 LEU 88 85 LEU 89 86 LYS 90 87 THR 91 88 LYS 92 89 PHE 93 90 ARG 94 91 GLU 95 92 GLU 96 93 PRO 97 94 GLY 98 95 CYS 99 96 CYS 100 97 VAL 101 98 ALA 102 99 VAL 103 100 HIS 104 101 CYS 105 102 VAL 106 103 ALA 107 104 GLY 108 105 LEU 109 106 GLY 110 107 ARG 111 108 ALA 112 109 PRO 113 110 VAL 114 111 LEU 115 112 VAL 116 113 ALA 117 114 LEU 118 115 ALA 119 116 LEU 120 117 ILE 121 118 GLU 122 119 CYS 123 120 GLY 124 121 MET 125 122 LYS 126 123 TYR 127 124 GLU 128 125 ASP 129 126 ALA 130 127 VAL 131 128 GLN 132 129 PHE 133 130 ILE 134 131 ARG 135 132 GLN 136 133 LYS 137 134 ARG 138 135 ARG 139 136 GLY 140 137 ALA 141 138 PHE 142 139 ASN 143 140 SER 144 141 LYS 145 142 GLN 146 143 LEU 147 144 LEU 148 145 TYR 149 146 LEU 150 147 GLU 151 148 LYS 152 149 TYR 153 150 ARG 154 151 PRO 155 152 LYS 156 153 MET 157 154 ARG 158 155 LEU 159 156 ARG 160 157 PHE 161 158 ARG 162 159 ASP 163 160 THR 164 161 ASN 165 162 GLY 166 163 HIS 167 164 CYS 168 165 CYS 169 166 VAL 170 167 GLN 171 168 LEU 172 169 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAC28149 "unnamed protein product [Mus musculus]" 96.51 167 100.00 100.00 2.73e-120 DBJ BAC32217 "unnamed protein product [Mus musculus]" 96.51 167 100.00 100.00 2.73e-120 DBJ BAE22604 "unnamed protein product [Mus musculus]" 84.30 145 100.00 100.00 7.02e-103 DBJ BAE33489 "unnamed protein product [Mus musculus]" 96.51 167 100.00 100.00 2.73e-120 DBJ BAE88131 "unnamed protein product [Macaca fascicularis]" 96.51 167 100.00 100.00 2.73e-120 EMBL CAA07417 "protein tyrosine phosphatase [Rattus norvegicus]" 96.51 167 98.80 98.80 1.47e-118 EMBL CAL37487 "hypothetical protein [synthetic construct]" 96.51 167 100.00 100.00 2.73e-120 EMBL CAL38409 "hypothetical protein [synthetic construct]" 96.51 167 100.00 100.00 2.73e-120 EMBL CAL38433 "hypothetical protein [synthetic construct]" 96.51 167 100.00 100.00 2.73e-120 GB AAA90979 "protein-tyrosine phosphatase [Homo sapiens]" 96.51 167 100.00 100.00 2.73e-120 GB AAB39331 "ptp-IV1b, PTP-IV1 [Homo sapiens]" 96.51 167 99.40 100.00 1.69e-119 GB AAB40598 "protein tyrosine phosphatase PTPCAAX2 [Homo sapiens]" 96.51 167 100.00 100.00 2.73e-120 GB AAB42170 "protein tyrosine phosphatase [Homo sapiens]" 96.51 167 100.00 100.00 2.73e-120 GB AAB59575 "protein tyrosine phosphatase, partial [Homo sapiens]" 89.53 154 99.35 99.35 1.34e-109 REF NP_001098468 "protein tyrosine phosphatase type IVA 3 [Bos taurus]" 96.51 167 100.00 100.00 2.73e-120 REF NP_001158217 "protein tyrosine phosphatase type IVA 2 [Mus musculus]" 96.51 167 100.00 100.00 2.73e-120 REF NP_001231270 "protein tyrosine phosphatase type IVA 2 [Sus scrofa]" 96.51 167 100.00 100.00 2.73e-120 REF NP_001272163 "uncharacterized protein LOC101867241 [Macaca fascicularis]" 96.51 167 100.00 100.00 2.73e-120 REF NP_033000 "protein tyrosine phosphatase type IVA 2 [Mus musculus]" 96.51 167 100.00 100.00 2.73e-120 SP O70274 "RecName: Full=Protein tyrosine phosphatase type IVA 2; AltName: Full=Protein-tyrosine phosphatase 4a2; AltName: Full=Protein-ty" 96.51 167 100.00 100.00 2.73e-120 SP Q12974 "RecName: Full=Protein tyrosine phosphatase type IVA 2; AltName: Full=HU-PP-1; AltName: Full=OV-1; AltName: Full=PTP(CAAXII); Al" 96.51 167 100.00 100.00 2.73e-120 SP Q6P9X4 "RecName: Full=Protein tyrosine phosphatase type IVA 2; AltName: Full=Protein-tyrosine phosphatase 4a2; AltName: Full=Protein-ty" 96.51 167 100.00 100.00 2.73e-120 TPG DAA32316 "TPA: protein tyrosine phosphatase type IVA, member 2 [Bos taurus]" 96.51 167 100.00 100.00 2.73e-120 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PRL-2 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 $PRL-2 '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 $PRL-2 . mM 0.6 1.4 '[U-13C; U-15N]' 'sodium phosphate' 50 mM . . . DTT-d10 10 mM . . . EDTA-d16 1 mM . . . 'sodium azide' 0.01 % . . . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_Azara _Saveframe_category software _Name Azara _Version 2.6 loop_ _Task 'data processing' stop_ _Details . save_ save_Ansig4OpenGL _Saveframe_category software _Name Ansig4OpenGL _Version 2.6 loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCC(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCNH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCNH NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCNH NOESY' _BMRB_pulse_sequence_accession_number . _Details 'Equipped with either a 3-axis TXI probe or a Z-axis cryoprobe' save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 303 0.5 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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 $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PRL-2 _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 . 5 ASN CA C 52.92 0.1 1 2 . 5 ASN CB C 38.77 0.1 1 3 . 5 ASN ND2 N 112.55 0.1 1 4 . 5 ASN HD21 H 6.897 0.04 1 5 . 5 ASN HD22 H 7.584 0.04 1 6 . 5 ASN C C 174.65 0.1 1 7 . 6 ARG N N 122.27 0.1 1 8 . 6 ARG H H 8.160 0.04 1 9 . 6 ARG CA C 53.76 0.1 1 10 . 6 ARG CB C 29.97 0.1 1 11 . 7 PRO CA C 62.58 0.1 1 12 . 7 PRO HA H 4.384 0.04 1 13 . 7 PRO CB C 31.61 0.1 1 14 . 7 PRO HB2 H 1.659 0.04 1 15 . 7 PRO HB3 H 2.115 0.04 1 16 . 7 PRO CG C 27.27 0.1 1 17 . 7 PRO HG3 H 1.796 0.04 1 18 . 7 PRO CD C 50.57 0.1 1 19 . 7 PRO C C 175.96 0.1 1 20 . 8 ALA H H 8.369 0.04 1 21 . 8 ALA N N 126.03 0.1 1 22 . 8 ALA CA C 50.27 0.1 1 23 . 8 ALA HA H 4.272 0.04 1 24 . 8 ALA CB C 18.12 0.1 1 25 . 8 ALA HB H 1.382 0.058 1 26 . 9 PRO CA C 62.67 0.124 1 27 . 9 PRO HA H 4.725 0.04 1 28 . 9 PRO CB C 32.20 0.1 1 29 . 9 PRO HB2 H 1.563 0.04 1 30 . 9 PRO HB3 H 2.108 0.04 1 31 . 9 PRO CG C 27.28 0.1 1 32 . 9 PRO C C 175.56 0.1 1 33 . 9 PRO HG2 H 1.974 0.04 1 34 . 9 PRO HG3 H 1.974 0.04 1 35 . 10 VAL N N 118.14 0.1 1 36 . 10 VAL H H 8.107 0.04 1 37 . 10 VAL CA C 60.55 0.1 1 38 . 10 VAL HA H 4.369 0.04 1 39 . 10 VAL CB C 34.60 0.1 1 40 . 10 VAL HB H 1.963 0.04 1 41 . 10 VAL CG1 C 21.27 0.1 1 42 . 10 VAL CG2 C 21.14 0.1 1 43 . 10 VAL C C 173.32 0.1 1 44 . 10 VAL HG1 H 0.906 0.04 1 45 . 10 VAL HG2 H 0.975 0.04 1 46 . 11 GLU N N 129.68 0.1 1 47 . 11 GLU H H 8.697 0.04 1 48 . 11 GLU CA C 54.48 0.1 1 49 . 11 GLU HA H 5.184 0.04 1 50 . 11 GLU CB C 31.91 0.1 1 51 . 11 GLU HB2 H 1.724 0.04 1 52 . 11 GLU HB3 H 2.179 0.04 1 53 . 11 GLU CG C 36.96 0.1 1 54 . 11 GLU C C 175.57 0.1 1 55 . 11 GLU HG2 H 2.163 0.04 1 56 . 11 GLU HG3 H 2.163 0.04 1 57 . 12 ILE N N 127.18 0.1 1 58 . 12 ILE H H 9.074 0.04 1 59 . 12 ILE CA C 59.05 0.119 1 60 . 12 ILE HA H 4.571 0.04 1 61 . 12 ILE CB C 40.35 0.1 1 62 . 12 ILE HB H 2.002 0.04 1 63 . 12 ILE CG1 C 27.07 0.1 1 64 . 12 ILE CG2 C 17.54 0.1 1 65 . 12 ILE CD1 C 12.66 0.1 1 66 . 12 ILE C C 174.23 0.1 1 67 . 12 ILE HD1 H 0.715 0.04 1 68 . 12 ILE HG2 H 0.961 0.04 1 69 . 12 ILE HG12 H 1.406 0.04 1 70 . 12 ILE HG13 H 1.406 0.04 1 71 . 13 SER N N 122.89 0.1 1 72 . 13 SER H H 8.892 0.04 1 73 . 13 SER CA C 56.31 0.1 1 74 . 13 SER HA H 3.879 0.04 1 75 . 13 SER CB C 65.15 0.1 1 76 . 13 SER C C 173.33 0.1 1 77 . 13 SER HB2 H 3.816 0.04 1 78 . 13 SER HB3 H 3.816 0.04 1 79 . 14 TYR N N 124.05 0.1 1 80 . 14 TYR H H 8.347 0.04 1 81 . 14 TYR CA C 58.70 0.1 1 82 . 14 TYR HA H 4.526 0.04 1 83 . 14 TYR CB C 41.90 0.1 1 84 . 14 TYR HB2 H 2.437 0.04 1 85 . 14 TYR HB3 H 3.076 0.04 1 86 . 14 TYR C C 173.61 0.1 1 87 . 14 TYR CD1 C 132.63 0.1 1 88 . 14 TYR CD2 C 132.63 0.1 1 89 . 14 TYR HD1 H 6.995 0.04 1 90 . 14 TYR HD2 H 6.995 0.04 1 91 . 14 TYR CE1 C 118.86 0.1 1 92 . 14 TYR CE2 C 118.86 0.1 1 93 . 14 TYR HE1 H 6.767 0.04 1 94 . 14 TYR HE2 H 6.767 0.04 1 95 . 15 GLU N N 125.57 0.1 1 96 . 15 GLU H H 8.802 0.04 1 97 . 15 GLU CA C 57.79 0.1 1 98 . 15 GLU HA H 3.481 0.04 1 99 . 15 GLU CB C 26.52 0.1 1 100 . 15 GLU CG C 35.39 0.1 1 101 . 15 GLU HG2 H 1.336 0.04 1 102 . 15 GLU HG3 H 1.768 0.04 1 103 . 15 GLU C C 173.73 0.1 1 104 . 15 GLU HB2 H 1.854 0.04 1 105 . 15 GLU HB3 H 1.854 0.04 1 106 . 16 ASN N N 119.55 0.1 1 107 . 16 ASN H H 8.329 0.04 1 108 . 16 ASN CA C 53.32 0.1 1 109 . 16 ASN HA H 4.554 0.04 1 110 . 16 ASN CB C 37.01 0.1 1 111 . 16 ASN HB2 H 2.914 0.04 1 112 . 16 ASN HB3 H 2.598 0.04 1 113 . 16 ASN C C 173.91 0.1 1 114 . 17 MET N N 118.76 0.1 1 115 . 17 MET H H 8.365 0.04 1 116 . 17 MET CA C 54.74 0.1 1 117 . 17 MET HA H 2.501 0.04 1 118 . 17 MET CB C 35.10 0.1 1 119 . 17 MET HB2 H 2.111 0.04 1 120 . 17 MET HB3 H 2.320 0.04 1 121 . 17 MET CG C 31.33 0.1 1 122 . 17 MET C C 175.04 0.1 1 123 . 18 ARG N N 122.06 0.1 1 124 . 18 ARG H H 6.142 0.04 1 125 . 18 ARG CA C 56.61 0.102 1 126 . 18 ARG HA H 5.018 0.04 1 127 . 18 ARG CB C 33.91 0.1 1 128 . 18 ARG CG C 27.85 0.1 1 129 . 18 ARG CD C 43.94 0.1 1 130 . 18 ARG C C 173.37 0.1 1 131 . 18 ARG HB2 H 1.863 0.04 1 132 . 18 ARG HB3 H 1.863 0.04 1 133 . 18 ARG HG2 H 1.535 0.04 1 134 . 18 ARG HG3 H 1.535 0.04 1 135 . 18 ARG HD2 H 3.026 0.04 1 136 . 18 ARG HD3 H 3.026 0.04 1 137 . 19 PHE N N 120.59 0.1 1 138 . 19 PHE H H 9.307 0.04 1 139 . 19 PHE CA C 55.32 0.1 1 140 . 19 PHE HA H 6.079 0.04 1 141 . 19 PHE CB C 43.89 0.1 1 142 . 19 PHE HB2 H 2.835 0.04 1 143 . 19 PHE HB3 H 3.176 0.04 1 144 . 19 PHE C C 174.66 0.1 1 145 . 19 PHE CD1 C 132.32 0.1 1 146 . 19 PHE CD2 C 132.32 0.1 1 147 . 19 PHE HD1 H 7.402 0.04 1 148 . 19 PHE HD2 H 7.402 0.04 1 149 . 20 LEU N N 123.28 0.1 1 150 . 20 LEU H H 8.438 0.04 1 151 . 20 LEU CA C 52.75 0.106 1 152 . 20 LEU HA H 5.151 0.04 1 153 . 20 LEU CB C 46.80 0.1 1 154 . 20 LEU HB2 H 1.111 0.04 1 155 . 20 LEU HB3 H 1.617 0.04 1 156 . 20 LEU CG C 26.04 0.1 1 157 . 20 LEU CD1 C 18.03 0.1 1 158 . 20 LEU CD2 C 17.00 0.1 1 159 . 20 LEU C C 176.06 0.1 1 160 . 20 LEU HD1 H 0.413 0.04 1 161 . 20 LEU HD2 H 0.683 0.04 1 162 . 21 ILE N N 126.33 0.1 1 163 . 21 ILE H H 9.208 0.04 1 164 . 21 ILE CA C 60.97 0.1 1 165 . 21 ILE HA H 5.009 0.04 1 166 . 21 ILE CB C 37.64 0.1 1 167 . 21 ILE HB H 1.830 0.04 1 168 . 21 ILE CG1 C 27.04 0.1 1 169 . 21 ILE HG12 H 0.878 0.04 1 170 . 21 ILE HG13 H 1.659 0.04 1 171 . 21 ILE CG2 C 17.26 0.1 1 172 . 21 ILE CD1 C 13.06 0.1 1 173 . 21 ILE C C 176.47 0.1 1 174 . 21 ILE HD1 H 0.618 0.04 1 175 . 21 ILE HG2 H 0.879 0.04 1 176 . 22 THR N N 120.47 0.1 1 177 . 22 THR H H 7.824 0.04 1 178 . 22 THR CA C 58.63 0.1 1 179 . 22 THR HA H 4.880 0.04 1 180 . 22 THR CB C 70.02 0.1 1 181 . 22 THR HB H 4.099 0.04 1 182 . 22 THR CG2 C 20.16 0.1 1 183 . 22 THR C C 172.11 0.1 1 184 . 22 THR HG2 H 1.106 0.04 1 185 . 23 HIS N N 119.43 0.1 1 186 . 23 HIS H H 8.467 0.04 1 187 . 23 HIS CA C 54.43 0.1 1 188 . 23 HIS HA H 4.780 0.04 1 189 . 23 HIS CB C 31.88 0.1 1 190 . 23 HIS HB2 H 2.903 0.04 1 191 . 23 HIS HB3 H 3.100 0.04 1 192 . 23 HIS C C 172.79 0.1 1 193 . 24 ASN N N 118.50 0.1 1 194 . 24 ASN H H 7.981 0.04 1 195 . 24 ASN CA C 49.97 0.1 1 196 . 24 ASN HA H 3.989 0.04 1 197 . 24 ASN CB C 39.28 0.1 1 198 . 24 ASN HB2 H 2.925 0.04 1 199 . 24 ASN HB3 H 3.190 0.04 1 200 . 25 PRO CA C 61.74 0.1 1 201 . 25 PRO HA H 4.278 0.04 1 202 . 25 PRO CB C 31.98 0.1 1 203 . 25 PRO HB2 H 0.878 0.04 1 204 . 25 PRO HB3 H 1.138 0.04 1 205 . 25 PRO C C 173.22 0.1 1 206 . 26 THR N N 103.51 0.1 1 207 . 26 THR H H 6.739 0.04 1 208 . 26 THR CA C 58.55 0.1 1 209 . 26 THR HA H 4.503 0.04 1 210 . 26 THR CB C 72.16 0.1 1 211 . 26 THR HB H 4.519 0.04 1 212 . 26 THR CG2 C 21.61 0.1 1 213 . 26 THR HG2 H 1.167 0.04 1 214 . 28 ALA CA C 53.97 0.1 1 215 . 28 ALA HA H 4.357 0.04 1 216 . 28 ALA CB C 19.06 0.1 1 217 . 28 ALA C C 179.13 0.1 1 218 . 28 ALA HB H 1.494 0.04 1 219 . 29 THR N N 106.77 0.1 1 220 . 29 THR H H 7.611 0.04 1 221 . 29 THR CA C 60.27 0.1 1 222 . 29 THR HA H 4.819 0.04 1 223 . 29 THR CB C 69.04 0.1 1 224 . 29 THR HB H 4.686 0.04 1 225 . 29 THR CG2 C 21.64 0.1 1 226 . 29 THR C C 175.64 0.1 1 227 . 29 THR HG2 H 1.135 0.04 1 228 . 30 LEU N N 123.73 0.1 1 229 . 30 LEU H H 7.361 0.04 1 230 . 30 LEU CA C 57.51 0.1 1 231 . 30 LEU HA H 4.034 0.04 1 232 . 30 LEU CB C 42.42 0.1 1 233 . 30 LEU HB2 H 1.646 0.04 1 234 . 30 LEU HB3 H 1.866 0.04 1 235 . 30 LEU CG C 26.52 0.1 1 236 . 30 LEU HG H 1.887 0.04 1 237 . 30 LEU CD1 C 24.87 0.1 1 238 . 30 LEU CD2 C 25.49 0.1 1 239 . 30 LEU HD1 H 0.748 0.04 1 240 . 30 LEU HD2 H 0.910 0.04 1 241 . 31 ASN N N 118.33 0.1 1 242 . 31 ASN H H 8.807 0.04 1 243 . 31 ASN CA C 56.61 0.1 1 244 . 31 ASN HA H 4.551 0.04 1 245 . 31 ASN CB C 36.73 0.1 1 246 . 31 ASN ND2 N 112.80 0.1 1 247 . 31 ASN HD21 H 6.979 0.04 1 248 . 31 ASN HD22 H 7.714 0.04 1 249 . 31 ASN C C 177.60 0.1 1 250 . 31 ASN HB2 H 2.909 0.04 1 251 . 31 ASN HB3 H 2.909 0.04 1 252 . 32 LYS N N 120.95 0.1 1 253 . 32 LYS H H 7.777 0.04 1 254 . 32 LYS CA C 57.90 0.1 1 255 . 32 LYS HA H 4.193 0.04 1 256 . 32 LYS CB C 31.78 0.1 1 257 . 32 LYS CG C 24.70 0.1 1 258 . 32 LYS CD C 28.29 0.1 1 259 . 32 LYS C C 178.83 0.1 1 260 . 32 LYS HB2 H 1.944 0.04 1 261 . 32 LYS HB3 H 1.944 0.04 1 262 . 32 LYS HG2 H 1.551 0.04 1 263 . 32 LYS HG3 H 1.551 0.04 1 264 . 32 LYS HD2 H 1.732 0.04 1 265 . 32 LYS HD3 H 1.732 0.04 1 266 . 33 PHE N N 121.85 0.1 1 267 . 33 PHE H H 8.155 0.04 1 268 . 33 PHE CA C 60.85 0.1 1 269 . 33 PHE HA H 4.400 0.04 1 270 . 33 PHE CB C 39.89 0.1 1 271 . 33 PHE C C 177.16 0.1 1 272 . 33 PHE HB2 H 3.236 0.04 1 273 . 33 PHE HB3 H 3.236 0.04 1 274 . 33 PHE CD1 C 131.28 0.1 1 275 . 33 PHE CD2 C 131.28 0.1 1 276 . 33 PHE HD1 H 6.995 0.04 1 277 . 33 PHE HD2 H 6.995 0.04 1 278 . 34 THR N N 113.67 0.1 1 279 . 34 THR H H 8.817 0.04 1 280 . 34 THR CA C 66.89 0.189 1 281 . 34 THR HA H 3.580 0.04 1 282 . 34 THR CB C 67.89 0.133 1 283 . 34 THR HB H 4.258 0.04 1 284 . 34 THR CG2 C 23.08 0.1 1 285 . 34 THR C C 176.47 0.1 1 286 . 34 THR HG2 H 1.319 0.04 1 287 . 35 GLU N N 121.35 0.1 1 288 . 35 GLU H H 7.706 0.04 1 289 . 35 GLU CA C 59.65 0.1 1 290 . 35 GLU HA H 3.942 0.04 1 291 . 35 GLU CB C 29.62 0.1 1 292 . 35 GLU CG C 36.37 0.1 1 293 . 35 GLU HG2 H 2.251 0.04 1 294 . 35 GLU HG3 H 2.435 0.04 1 295 . 35 GLU C C 179.13 0.1 1 296 . 35 GLU HB2 H 2.212 0.04 1 297 . 35 GLU HB3 H 2.212 0.04 1 298 . 36 GLU N N 120.89 0.1 1 299 . 36 GLU H H 7.839 0.04 1 300 . 36 GLU CA C 59.67 0.1 1 301 . 36 GLU HA H 4.099 0.04 1 302 . 36 GLU CB C 29.89 0.1 1 303 . 36 GLU CG C 36.98 0.1 1 304 . 36 GLU HG2 H 2.278 0.04 1 305 . 36 GLU HG3 H 2.395 0.04 1 306 . 36 GLU C C 177.99 0.1 1 307 . 36 GLU HB2 H 2.212 0.04 1 308 . 36 GLU HB3 H 2.212 0.04 1 309 . 37 LEU N N 116.50 0.1 1 310 . 37 LEU H H 7.872 0.04 1 311 . 37 LEU CA C 58.17 0.1 1 312 . 37 LEU HA H 3.777 0.04 1 313 . 37 LEU CB C 40.45 0.1 1 314 . 37 LEU HB2 H 1.073 0.04 1 315 . 37 LEU HB3 H 1.916 0.04 1 316 . 37 LEU CG C 25.49 0.1 1 317 . 37 LEU HG H 1.496 0.04 1 318 . 37 LEU CD1 C 22.38 0.1 1 319 . 37 LEU CD2 C 26.52 0.1 1 320 . 37 LEU C C 180.04 0.1 1 321 . 37 LEU HD1 H 0.422 0.04 1 322 . 37 LEU HD2 H 0.487 0.04 1 323 . 38 LYS N N 117.59 0.1 1 324 . 38 LYS H H 8.173 0.04 1 325 . 38 LYS CA C 59.33 0.1 1 326 . 38 LYS HA H 4.138 0.04 1 327 . 38 LYS CB C 31.69 0.1 1 328 . 38 LYS CG C 25.27 0.1 1 329 . 38 LYS CD C 29.01 0.1 1 330 . 38 LYS C C 180.88 0.1 1 331 . 38 LYS HB2 H 1.921 0.04 1 332 . 38 LYS HB3 H 1.921 0.04 1 333 . 38 LYS HD2 H 1.732 0.04 1 334 . 38 LYS HD3 H 1.732 0.04 1 335 . 39 LYS N N 122.37 0.1 1 336 . 39 LYS H H 7.975 0.04 1 337 . 39 LYS CA C 59.17 0.101 1 338 . 39 LYS HA H 3.981 0.04 1 339 . 39 LYS CB C 31.73 0.1 1 340 . 39 LYS CG C 24.52 0.1 1 341 . 39 LYS HG2 H 1.093 0.04 1 342 . 39 LYS HG3 H 1.393 0.04 1 343 . 39 LYS CD C 29.36 0.103 1 344 . 39 LYS CE C 41.96 0.1 1 345 . 39 LYS HE2 H 2.818 0.04 1 346 . 39 LYS HE3 H 3.035 0.04 1 347 . 39 LYS C C 178.01 0.1 1 348 . 39 LYS HB2 H 1.929 0.04 1 349 . 39 LYS HB3 H 1.929 0.04 1 350 . 39 LYS HD2 H 1.569 0.04 1 351 . 39 LYS HD3 H 1.569 0.04 1 352 . 40 TYR N N 114.79 0.1 1 353 . 40 TYR H H 7.377 0.04 1 354 . 40 TYR CA C 59.19 0.1 1 355 . 40 TYR HA H 4.474 0.04 1 356 . 40 TYR CB C 40.14 0.1 1 357 . 40 TYR HB2 H 2.713 0.04 1 358 . 40 TYR HB3 H 3.357 0.04 1 359 . 40 TYR C C 175.96 0.1 1 360 . 40 TYR CD1 C 134.18 0.1 1 361 . 40 TYR CD2 C 134.18 0.1 1 362 . 40 TYR HD1 H 7.353 0.04 1 363 . 40 TYR HD2 H 7.353 0.04 1 364 . 40 TYR CE1 C 117.41 0.1 1 365 . 40 TYR CE2 C 117.41 0.1 1 366 . 40 TYR HE1 H 6.735 0.04 1 367 . 40 TYR HE2 H 6.735 0.04 1 368 . 41 GLY N N 109.03 0.1 1 369 . 41 GLY H H 8.062 0.04 1 370 . 41 GLY CA C 46.64 0.126 1 371 . 41 GLY HA2 H 3.937 0.04 1 372 . 41 GLY HA3 H 4.047 0.04 1 373 . 41 GLY C C 175.77 0.1 1 374 . 42 VAL N N 120.38 0.1 1 375 . 42 VAL H H 7.714 0.04 1 376 . 42 VAL CA C 61.98 0.1 1 377 . 42 VAL HA H 4.495 0.04 1 378 . 42 VAL CB C 32.25 0.1 1 379 . 42 VAL HB H 1.911 0.04 1 380 . 42 VAL CG1 C 22.77 0.107 1 381 . 42 VAL CG2 C 24.06 0.1 1 382 . 42 VAL C C 176.61 0.1 1 383 . 42 VAL HG1 H 0.975 0.04 1 384 . 42 VAL HG2 H 1.008 0.04 1 385 . 43 THR N N 112.86 0.1 1 386 . 43 THR H H 8.015 0.04 1 387 . 43 THR CA C 60.73 0.1 1 388 . 43 THR HA H 4.750 0.04 1 389 . 43 THR CB C 69.87 0.1 1 390 . 43 THR HB H 4.641 0.04 1 391 . 43 THR CG2 C 22.17 0.1 1 392 . 43 THR C C 174.96 0.1 1 393 . 43 THR HG2 H 1.272 0.04 1 394 . 44 THR N N 120.49 0.1 1 395 . 44 THR H H 7.458 0.04 1 396 . 44 THR CA C 62.47 0.1 1 397 . 44 THR HA H 5.173 0.04 1 398 . 44 THR CB C 73.03 0.1 1 399 . 44 THR HB H 3.809 0.04 1 400 . 44 THR CG2 C 21.98 0.1 1 401 . 44 THR C C 170.02 0.1 1 402 . 44 THR HG2 H 1.134 0.04 1 403 . 45 LEU N N 129.83 0.1 1 404 . 45 LEU H H 9.476 0.04 1 405 . 45 LEU CA C 52.63 0.1 1 406 . 45 LEU HA H 5.173 0.04 1 407 . 45 LEU CB C 46.00 0.1 1 408 . 45 LEU HB2 H 1.041 0.04 1 409 . 45 LEU HB3 H 1.789 0.04 1 410 . 45 LEU CG C 26.62 0.1 1 411 . 45 LEU HG H 1.305 0.04 1 412 . 45 LEU CD1 C 21.10 0.1 1 413 . 45 LEU CD2 C 24.32 0.1 1 414 . 45 LEU C C 172.69 0.1 1 415 . 45 LEU HD1 H 0.775 0.04 1 416 . 45 LEU HD2 H 1.026 0.04 1 417 . 46 VAL N N 128.01 0.1 1 418 . 46 VAL H H 9.315 0.04 1 419 . 46 VAL CA C 61.14 0.129 1 420 . 46 VAL HA H 4.354 0.04 1 421 . 46 VAL CB C 32.53 0.1 1 422 . 46 VAL HB H 2.114 0.04 1 423 . 46 VAL CG1 C 21.84 0.1 1 424 . 46 VAL CG2 C 20.91 0.1 1 425 . 46 VAL C C 173.79 0.1 1 426 . 46 VAL HG1 H 0.623 0.04 1 427 . 46 VAL HG2 H 0.963 0.04 1 428 . 47 ARG N N 127.81 0.1 1 429 . 47 ARG H H 8.966 0.04 1 430 . 47 ARG CA C 55.66 0.122 1 431 . 47 ARG HA H 4.104 0.04 1 432 . 47 ARG CB C 31.08 0.1 1 433 . 47 ARG HB2 H 1.659 0.04 1 434 . 47 ARG HB3 H 1.919 0.04 1 435 . 47 ARG CG C 25.78 0.1 1 436 . 47 ARG C C 175.86 0.1 1 437 . 47 ARG HG2 H 1.533 0.069 1 438 . 47 ARG HG3 H 1.533 0.069 1 439 . 48 VAL N N 116.83 0.1 1 440 . 48 VAL H H 7.701 0.04 1 441 . 48 VAL CA C 59.21 0.1 1 442 . 48 VAL HA H 4.781 0.04 1 443 . 48 VAL CB C 29.29 0.1 1 444 . 48 VAL HB H 2.505 0.04 1 445 . 48 VAL CG1 C 22.24 0.1 1 446 . 48 VAL CG2 C 19.58 0.1 1 447 . 48 VAL C C 173.32 0.1 1 448 . 48 VAL HG1 H 0.943 0.04 1 449 . 48 VAL HG2 H 0.455 0.04 1 450 . 49 CYS N N 110.24 0.1 1 451 . 49 CYS H H 6.984 0.04 1 452 . 49 CYS CA C 53.29 0.1 1 453 . 49 CYS HA H 5.019 0.04 1 454 . 49 CYS CB C 33.22 0.1 1 455 . 49 CYS HB2 H 2.497 0.04 1 456 . 49 CYS HB3 H 3.317 0.04 1 457 . 49 CYS C C 172.37 0.1 1 458 . 50 ASP N N 119.71 0.1 1 459 . 50 ASP H H 8.293 0.04 1 460 . 50 ASP CA C 54.73 0.1 1 461 . 50 ASP HA H 4.340 0.04 1 462 . 50 ASP CB C 40.39 0.1 1 463 . 50 ASP HB2 H 2.480 0.04 1 464 . 50 ASP HB3 H 2.580 0.04 1 465 . 50 ASP C C 175.90 0.1 1 466 . 51 ALA H H 8.237 0.04 1 467 . 51 ALA N N 125.90 0.1 1 468 . 51 ALA CA C 52.47 0.1 1 469 . 51 ALA HA H 4.122 0.04 1 470 . 51 ALA CB C 19.01 0.1 1 471 . 51 ALA C C 178.80 0.1 1 472 . 51 ALA HB H 1.280 0.04 1 473 . 52 THR N N 113.92 0.1 1 474 . 52 THR H H 9.045 0.04 1 475 . 52 THR CA C 61.15 0.1 1 476 . 52 THR HA H 4.495 0.04 1 477 . 52 THR CB C 68.92 0.1 1 478 . 52 THR HB H 4.645 0.04 1 479 . 52 THR CG2 C 21.34 0.1 1 480 . 52 THR C C 173.60 0.1 1 481 . 52 THR HG2 H 1.131 0.04 1 482 . 53 TYR N N 116.66 0.1 1 483 . 53 TYR H H 6.994 0.04 1 484 . 53 TYR CA C 54.73 0.1 1 485 . 53 TYR HA H 4.805 0.04 1 486 . 53 TYR CB C 39.57 0.1 1 487 . 53 TYR HB2 H 2.557 0.04 1 488 . 53 TYR HB3 H 2.831 0.04 1 489 . 53 TYR C C 174.03 0.1 1 490 . 53 TYR CD1 C 135.01 0.1 1 491 . 53 TYR CD2 C 135.01 0.1 1 492 . 53 TYR HD1 H 6.833 0.04 1 493 . 53 TYR HD2 H 6.833 0.04 1 494 . 54 ASP N N 124.57 0.1 1 495 . 54 ASP H H 9.234 0.04 1 496 . 54 ASP CA C 53.89 0.1 1 497 . 54 ASP HA H 4.497 0.04 1 498 . 54 ASP CB C 41.44 0.1 1 499 . 54 ASP HB2 H 2.706 0.04 1 500 . 54 ASP HB3 H 2.884 0.04 1 501 . 54 ASP C C 175.05 0.1 1 502 . 55 LYS N N 119.86 0.1 1 503 . 55 LYS H H 8.115 0.04 1 504 . 55 LYS CA C 56.78 0.1 1 505 . 55 LYS HA H 4.350 0.04 1 506 . 55 LYS CB C 32.97 0.1 1 507 . 55 LYS CG C 23.49 0.1 1 508 . 55 LYS CD C 29.74 0.1 1 509 . 55 LYS HD2 H 1.572 0.04 1 510 . 55 LYS HD3 H 1.725 0.04 1 511 . 55 LYS C C 178.03 0.1 1 512 . 55 LYS HB2 H 1.981 0.04 1 513 . 55 LYS HB3 H 1.981 0.04 1 514 . 56 ALA H H 8.762 0.04 1 515 . 56 ALA N N 127.15 0.1 1 516 . 56 ALA CA C 53.85 0.1 1 517 . 56 ALA HA H 4.490 0.04 1 518 . 56 ALA CB C 16.00 0.1 1 519 . 56 ALA HB H 1.594 0.04 1 520 . 57 PRO CA C 65.49 0.106 1 521 . 57 PRO HA H 4.356 0.04 1 522 . 57 PRO CB C 31.80 0.1 1 523 . 57 PRO HB2 H 1.703 0.04 1 524 . 57 PRO CD C 50.19 0.1 1 525 . 57 PRO HD2 H 3.635 0.04 1 526 . 57 PRO HD3 H 3.777 0.04 1 527 . 57 PRO C C 178.38 0.1 1 528 . 58 VAL N N 116.34 0.1 1 529 . 58 VAL H H 7.249 0.04 1 530 . 58 VAL CA C 65.39 0.1 1 531 . 58 VAL HA H 3.736 0.04 1 532 . 58 VAL CB C 32.13 0.1 1 533 . 58 VAL HB H 2.491 0.04 1 534 . 58 VAL CG1 C 22.38 0.1 1 535 . 58 VAL CG2 C 21.76 0.1 1 536 . 58 VAL C C 178.20 0.1 1 537 . 58 VAL HG1 H 0.954 0.04 1 538 . 58 VAL HG2 H 1.196 0.04 1 539 . 59 GLU N N 118.96 0.1 1 540 . 59 GLU H H 8.016 0.04 1 541 . 59 GLU CA C 58.62 0.116 1 542 . 59 GLU HA H 4.684 0.04 1 543 . 59 GLU CB C 29.42 0.1 1 544 . 59 GLU CG C 37.29 0.1 1 545 . 59 GLU C C 181.87 0.1 1 546 . 59 GLU HB2 H 2.243 0.04 1 547 . 59 GLU HB3 H 2.243 0.04 1 548 . 59 GLU HG2 H 2.446 0.04 1 549 . 59 GLU HG3 H 2.446 0.04 1 550 . 60 LYS N N 120.15 0.1 1 551 . 60 LYS H H 8.401 0.04 1 552 . 60 LYS CA C 58.44 0.111 1 553 . 60 LYS HA H 4.133 0.04 1 554 . 60 LYS CB C 32.17 0.1 1 555 . 60 LYS C C 177.79 0.1 1 556 . 60 LYS HB2 H 1.971 0.04 1 557 . 60 LYS HB3 H 1.971 0.04 1 558 . 60 LYS HG2 H 1.572 0.04 1 559 . 60 LYS HG3 H 1.572 0.04 1 560 . 60 LYS HE2 H 3.016 0.04 1 561 . 60 LYS HE3 H 3.016 0.04 1 562 . 61 GLU N N 115.80 0.1 1 563 . 61 GLU H H 7.206 0.04 1 564 . 61 GLU CA C 55.19 0.1 1 565 . 61 GLU HA H 4.479 0.04 1 566 . 61 GLU CB C 28.74 0.1 1 567 . 61 GLU CG C 35.38 0.1 1 568 . 61 GLU HG2 H 2.367 0.04 1 569 . 61 GLU HG3 H 2.467 0.04 1 570 . 61 GLU C C 176.06 0.1 1 571 . 61 GLU HB2 H 1.964 0.04 1 572 . 61 GLU HB3 H 1.964 0.04 1 573 . 62 GLY N N 106.46 0.1 1 574 . 62 GLY H H 7.986 0.04 1 575 . 62 GLY CA C 45.23 0.1 1 576 . 62 GLY HA2 H 3.724 0.04 1 577 . 62 GLY HA3 H 4.222 0.04 1 578 . 62 GLY C C 173.62 0.1 1 579 . 63 ILE N N 121.25 0.1 1 580 . 63 ILE H H 6.852 0.04 1 581 . 63 ILE CA C 60.05 0.109 1 582 . 63 ILE HA H 4.004 0.04 1 583 . 63 ILE CB C 38.73 0.1 1 584 . 63 ILE HB H 1.583 0.04 1 585 . 63 ILE CG1 C 27.80 0.1 1 586 . 63 ILE HG12 H 0.910 0.04 1 587 . 63 ILE HG13 H 1.333 0.04 1 588 . 63 ILE CG2 C 17.94 0.1 1 589 . 63 ILE CD1 C 14.78 0.1 1 590 . 63 ILE C C 173.82 0.1 1 591 . 63 ILE HD1 H 0.442 0.04 1 592 . 64 HIS N N 126.81 0.1 1 593 . 64 HIS H H 7.775 0.04 1 594 . 64 HIS CA C 55.05 0.1 1 595 . 64 HIS HA H 4.745 0.04 1 596 . 64 HIS CB C 31.41 0.1 1 597 . 64 HIS CD2 C 118.19 0.1 1 598 . 64 HIS HD2 H 7.097 0.04 1 599 . 64 HIS C C 174.42 0.1 1 600 . 64 HIS HB2 H 3.187 0.04 1 601 . 64 HIS HB3 H 3.187 0.04 1 602 . 65 VAL N N 127.46 0.1 1 603 . 65 VAL H H 8.996 0.04 1 604 . 65 VAL CA C 61.33 0.108 1 605 . 65 VAL HA H 5.082 0.04 1 606 . 65 VAL CB C 32.81 0.1 1 607 . 65 VAL HB H 1.914 0.04 1 608 . 65 VAL CG1 C 21.01 0.1 1 609 . 65 VAL CG2 C 22.57 0.1 1 610 . 65 VAL C C 174.94 0.1 1 611 . 65 VAL HG1 H 0.716 0.04 1 612 . 65 VAL HG2 H 1.047 0.04 1 613 . 66 LEU N N 131.01 0.1 1 614 . 66 LEU H H 8.983 0.04 1 615 . 66 LEU CA C 52.67 0.1 1 616 . 66 LEU HA H 4.353 0.04 1 617 . 66 LEU CB C 42.61 0.1 1 618 . 66 LEU HB2 H 0.839 0.04 1 619 . 66 LEU HB3 H 1.003 0.04 1 620 . 66 LEU CG C 25.45 0.1 1 621 . 66 LEU HG H 0.540 0.04 1 622 . 66 LEU CD1 C 24.08 0.1 1 623 . 66 LEU CD2 C 25.75 0.1 1 624 . 66 LEU C C 173.82 0.1 1 625 . 66 LEU HD1 H 0.004 0.04 1 626 . 66 LEU HD2 H 0.638 0.04 1 627 . 67 ASP N N 123.48 0.1 1 628 . 67 ASP H H 8.306 0.04 1 629 . 67 ASP CA C 54.21 0.1 1 630 . 67 ASP HA H 5.306 0.04 1 631 . 67 ASP CB C 42.52 0.172 1 632 . 67 ASP HB2 H 2.506 0.04 1 633 . 67 ASP HB3 H 2.581 0.04 1 634 . 67 ASP C C 174.04 0.1 1 635 . 68 TRP N N 126.24 0.1 1 636 . 68 TRP H H 8.336 0.04 1 637 . 68 TRP CA C 51.16 0.1 1 638 . 68 TRP HA H 5.495 0.04 1 639 . 68 TRP CB C 29.41 0.1 1 640 . 68 TRP NE1 N 127.18 0.1 1 641 . 68 TRP CZ2 C 114.77 0.1 1 642 . 68 TRP HZ2 H 7.577 0.04 1 643 . 68 TRP CZ3 C 124.24 0.1 1 644 . 68 TRP HZ3 H 7.386 0.04 1 645 . 69 PRO CA C 63.04 0.1 1 646 . 69 PRO CB C 31.48 0.1 1 647 . 69 PRO CG C 27.50 0.1 1 648 . 69 PRO C C 177.59 0.1 1 649 . 70 PHE N N 112.53 0.1 1 650 . 70 PHE H H 7.131 0.04 1 651 . 70 PHE CA C 55.90 0.1 1 652 . 70 PHE HA H 4.738 0.04 1 653 . 70 PHE CB C 39.08 0.1 1 654 . 70 PHE C C 173.72 0.1 1 655 . 70 PHE HB2 H 3.176 0.04 1 656 . 70 PHE HB3 H 3.176 0.04 1 657 . 70 PHE CD1 C 134.39 0.1 1 658 . 70 PHE CD2 C 134.39 0.1 1 659 . 70 PHE HD1 H 7.386 0.04 1 660 . 70 PHE HD2 H 7.386 0.04 1 661 . 70 PHE CE1 C 130.66 0.1 1 662 . 70 PHE CE2 C 130.66 0.1 1 663 . 70 PHE HE1 H 7.190 0.04 1 664 . 70 PHE HE2 H 7.190 0.04 1 665 . 71 ASP N N 119.71 0.1 1 666 . 71 ASP H H 8.327 0.04 1 667 . 71 ASP CA C 55.59 0.1 1 668 . 71 ASP HA H 4.321 0.04 1 669 . 71 ASP CB C 41.13 0.1 1 670 . 71 ASP C C 175.64 0.1 1 671 . 71 ASP HB2 H 2.622 0.04 1 672 . 71 ASP HB3 H 2.622 0.04 1 673 . 72 ASP N N 120.39 0.1 1 674 . 72 ASP H H 8.469 0.04 1 675 . 72 ASP CA C 55.57 0.1 1 676 . 72 ASP HA H 4.120 0.04 1 677 . 72 ASP CB C 40.74 0.1 1 678 . 72 ASP C C 177.94 0.1 1 679 . 72 ASP HB2 H 2.614 0.04 1 680 . 72 ASP HB3 H 2.614 0.04 1 681 . 73 GLY N N 114.45 0.111 1 682 . 73 GLY H H 9.120 0.04 1 683 . 73 GLY CA C 45.16 0.1 1 684 . 73 GLY HA2 H 3.701 0.04 1 685 . 73 GLY HA3 H 4.042 0.04 1 686 . 73 GLY C C 173.01 0.1 1 687 . 74 ALA H H 7.817 0.04 1 688 . 74 ALA N N 123.36 0.1 1 689 . 74 ALA CA C 49.90 0.122 1 690 . 74 ALA HA H 4.890 0.04 1 691 . 74 ALA CB C 20.36 0.1 1 692 . 74 ALA HB H 1.561 0.04 1 693 . 78 ASN CA C 56.71 0.1 1 694 . 78 ASN CB C 37.76 0.1 1 695 . 78 ASN HB2 H 2.750 0.04 1 696 . 78 ASN HB3 H 2.882 0.04 1 697 . 78 ASN ND2 N 113.00 0.1 1 698 . 78 ASN HD21 H 7.019 0.04 1 699 . 78 ASN HD22 H 7.736 0.04 1 700 . 78 ASN C C 176.87 0.1 1 701 . 79 GLN N N 117.45 0.1 1 702 . 79 GLN H H 8.886 0.04 1 703 . 79 GLN CA C 58.62 0.1 1 704 . 79 GLN HA H 3.906 0.04 1 705 . 79 GLN CB C 28.20 0.1 1 706 . 79 GLN HB2 H 1.746 0.04 1 707 . 79 GLN HB3 H 2.111 0.04 1 708 . 79 GLN CG C 33.08 0.1 1 709 . 79 GLN NE2 N 115.10 0.1 1 710 . 79 GLN HE21 H 6.805 0.04 1 711 . 79 GLN HE22 H 7.771 0.04 1 712 . 79 GLN C C 177.27 0.1 1 713 . 79 GLN HG2 H 2.284 0.04 1 714 . 79 GLN HG3 H 2.284 0.04 1 715 . 80 ILE N N 116.72 0.1 1 716 . 80 ILE H H 6.447 0.04 1 717 . 80 ILE CA C 63.86 0.1 1 718 . 80 ILE HA H 3.405 0.04 1 719 . 80 ILE CB C 37.46 0.1 1 720 . 80 ILE HB H 1.381 0.04 1 721 . 80 ILE CG1 C 29.11 0.1 1 722 . 80 ILE HG12 H 0.910 0.04 1 723 . 80 ILE HG13 H 1.366 0.04 1 724 . 80 ILE CG2 C 15.97 0.1 1 725 . 80 ILE CD1 C 13.69 0.133 1 726 . 80 ILE C C 176.79 0.1 1 727 . 80 ILE HD1 H 0.730 0.04 1 728 . 80 ILE HG2 H 0.683 0.04 1 729 . 81 VAL N N 119.30 0.1 1 730 . 81 VAL H H 7.259 0.04 1 731 . 81 VAL CA C 68.50 0.1 1 732 . 81 VAL HA H 3.276 0.04 1 733 . 81 VAL CB C 31.37 0.1 1 734 . 81 VAL HB H 2.223 0.04 1 735 . 81 VAL CG1 C 22.23 0.1 1 736 . 81 VAL CG2 C 23.44 0.1 1 737 . 81 VAL C C 177.38 0.1 1 738 . 81 VAL HG1 H 1.137 0.04 1 739 . 81 VAL HG2 H 0.846 0.04 1 740 . 82 ASP N N 118.10 0.1 1 741 . 82 ASP H H 8.038 0.04 1 742 . 82 ASP CA C 57.94 0.115 1 743 . 82 ASP HA H 4.326 0.04 1 744 . 82 ASP CB C 40.52 0.1 1 745 . 82 ASP C C 178.61 0.1 1 746 . 82 ASP HB2 H 2.609 0.04 1 747 . 82 ASP HB3 H 2.609 0.04 1 748 . 83 ASP N N 120.49 0.1 1 749 . 83 ASP H H 8.038 0.04 1 750 . 83 ASP CA C 57.05 0.1 1 751 . 83 ASP HA H 4.342 0.04 1 752 . 83 ASP CB C 38.60 0.1 1 753 . 83 ASP HB2 H 1.901 0.04 1 754 . 83 ASP HB3 H 2.098 0.04 1 755 . 83 ASP C C 179.16 0.1 1 756 . 84 TRP N N 124.68 0.1 1 757 . 84 TRP H H 8.982 0.04 1 758 . 84 TRP CA C 59.71 0.1 1 759 . 84 TRP HA H 4.998 0.04 1 760 . 84 TRP CB C 30.67 0.1 1 761 . 84 TRP HB2 H 3.475 0.04 1 762 . 84 TRP HB3 H 3.825 0.04 1 763 . 84 TRP NE1 N 126.61 0.1 1 764 . 84 TRP HE1 H 9.501 0.04 1 765 . 84 TRP CZ2 C 114.51 0.1 1 766 . 84 TRP HZ2 H 6.800 0.04 1 767 . 84 TRP CZ3 C 126.73 0.1 1 768 . 84 TRP HZ3 H 6.930 0.04 1 769 . 84 TRP C C 176.36 0.1 1 770 . 85 LEU N N 117.71 0.1 1 771 . 85 LEU H H 8.799 0.04 1 772 . 85 LEU CA C 58.15 0.1 1 773 . 85 LEU HA H 3.879 0.04 1 774 . 85 LEU CB C 41.10 0.1 1 775 . 85 LEU CG C 26.94 0.1 1 776 . 85 LEU CD1 C 22.34 0.1 1 777 . 85 LEU CD2 C 25.88 0.1 1 778 . 85 LEU C C 179.64 0.1 1 779 . 85 LEU HD1 H 0.845 0.04 1 780 . 85 LEU HB2 H 2.091 0.04 1 781 . 85 LEU HB3 H 2.091 0.04 1 782 . 85 LEU HD2 H 1.210 0.04 2 783 . 86 ASN N N 116.91 0.1 1 784 . 86 ASN H H 8.308 0.04 1 785 . 86 ASN CA C 56.17 0.1 1 786 . 86 ASN HA H 4.491 0.04 1 787 . 86 ASN CB C 38.23 0.1 1 788 . 86 ASN ND2 N 113.49 0.1 1 789 . 86 ASN HD21 H 6.930 0.04 1 790 . 86 ASN HD22 H 7.811 0.04 1 791 . 86 ASN C C 177.90 0.1 1 792 . 86 ASN HB2 H 2.881 0.04 1 793 . 86 ASN HB3 H 2.881 0.04 1 794 . 87 LEU N N 123.98 0.1 1 795 . 87 LEU H H 8.401 0.04 1 796 . 87 LEU CA C 58.19 0.1 1 797 . 87 LEU HA H 4.209 0.04 1 798 . 87 LEU CB C 42.17 0.1 1 799 . 87 LEU HB2 H 2.015 0.04 1 800 . 87 LEU HB3 H 2.519 0.04 1 801 . 87 LEU CG C 27.01 0.1 1 802 . 87 LEU HG H 1.301 0.04 1 803 . 87 LEU CD1 C 24.07 0.1 1 804 . 87 LEU CD2 C 26.48 0.1 1 805 . 87 LEU C C 178.20 0.1 1 806 . 87 LEU HD1 H 0.975 0.04 1 807 . 87 LEU HD2 H 0.951 0.04 1 808 . 88 LEU N N 117.26 0.1 1 809 . 88 LEU H H 8.051 0.04 1 810 . 88 LEU CA C 57.34 0.1 1 811 . 88 LEU HA H 3.313 0.04 1 812 . 88 LEU CB C 40.78 0.1 1 813 . 88 LEU HB2 H 1.419 0.04 1 814 . 88 LEU HB3 H 1.840 0.04 1 815 . 88 LEU CG C 25.52 0.134 1 816 . 88 LEU HG H 1.562 0.04 1 817 . 88 LEU CD1 C 23.77 0.1 1 818 . 88 LEU CD2 C 26.52 0.1 1 819 . 88 LEU C C 178.06 0.1 1 820 . 88 LEU HD1 H 0.958 0.04 1 821 . 88 LEU HD2 H 0.943 0.04 1 822 . 89 LYS N N 117.41 0.1 1 823 . 89 LYS H H 7.950 0.04 1 824 . 89 LYS CA C 59.39 0.1 1 825 . 89 LYS HA H 3.972 0.04 1 826 . 89 LYS CB C 32.50 0.1 1 827 . 89 LYS CG C 24.95 0.1 1 828 . 89 LYS CD C 29.63 0.1 1 829 . 89 LYS C C 178.49 0.1 1 830 . 89 LYS HB2 H 1.980 0.04 1 831 . 89 LYS HB3 H 1.980 0.04 1 832 . 89 LYS HG2 H 1.554 0.04 1 833 . 89 LYS HG3 H 1.554 0.04 1 834 . 89 LYS HD2 H 1.812 0.04 1 835 . 89 LYS HD3 H 1.812 0.04 1 836 . 90 THR N N 111.76 0.1 1 837 . 90 THR H H 7.523 0.04 1 838 . 90 THR CA C 65.61 0.1 1 839 . 90 THR HA H 4.062 0.04 1 840 . 90 THR CB C 69.13 0.1 1 841 . 90 THR HB H 4.261 0.04 1 842 . 90 THR CG2 C 21.38 0.1 1 843 . 90 THR C C 176.38 0.1 1 844 . 90 THR HG2 H 1.226 0.04 1 845 . 91 LYS N N 120.99 0.1 1 846 . 91 LYS H H 8.893 0.04 1 847 . 91 LYS CA C 58.17 0.105 1 848 . 91 LYS HA H 3.899 0.04 1 849 . 91 LYS CB C 30.65 0.1 1 850 . 91 LYS CG C 24.07 0.1 1 851 . 91 LYS HG2 H 1.008 0.04 1 852 . 91 LYS HG3 H 1.431 0.04 1 853 . 91 LYS CD C 27.03 0.1 1 854 . 91 LYS CE C 41.71 0.1 1 855 . 91 LYS HE2 H 2.753 0.04 1 856 . 91 LYS HE3 H 2.921 0.04 1 857 . 91 LYS C C 178.51 0.1 1 858 . 91 LYS HB2 H 1.282 0.04 1 859 . 91 LYS HB3 H 1.282 0.04 1 860 . 91 LYS HD2 H 1.529 0.04 1 861 . 91 LYS HD3 H 1.529 0.04 1 862 . 92 PHE N N 112.33 0.1 1 863 . 92 PHE H H 7.947 0.04 1 864 . 92 PHE CA C 58.33 0.199 1 865 . 92 PHE HA H 4.622 0.04 1 866 . 92 PHE CB C 36.92 0.1 1 867 . 92 PHE HB2 H 2.881 0.04 1 868 . 92 PHE HB3 H 3.144 0.04 1 869 . 92 PHE C C 177.08 0.1 1 870 . 92 PHE CD1 C 131.49 0.1 1 871 . 92 PHE CD2 C 131.49 0.1 1 872 . 92 PHE HD1 H 7.256 0.04 1 873 . 92 PHE HD2 H 7.256 0.04 1 874 . 93 ARG N N 117.33 0.1 1 875 . 93 ARG H H 7.133 0.04 1 876 . 93 ARG CA C 57.85 0.1 1 877 . 93 ARG HA H 4.390 0.04 1 878 . 93 ARG CB C 30.93 0.1 1 879 . 93 ARG CG C 27.39 0.1 1 880 . 93 ARG HG2 H 1.607 0.04 1 881 . 93 ARG HG3 H 1.760 0.04 1 882 . 93 ARG CD C 43.30 0.1 1 883 . 93 ARG C C 177.35 0.1 1 884 . 93 ARG HB2 H 2.024 0.04 1 885 . 93 ARG HB3 H 2.024 0.04 1 886 . 93 ARG HD2 H 3.228 0.04 1 887 . 93 ARG HD3 H 3.228 0.04 1 888 . 94 GLU N N 117.25 0.1 1 889 . 94 GLU H H 8.426 0.04 1 890 . 94 GLU CA C 58.21 0.1 1 891 . 94 GLU HA H 4.169 0.04 1 892 . 94 GLU CB C 30.54 0.131 1 893 . 94 GLU CG C 36.85 0.1 1 894 . 94 GLU HG2 H 2.373 0.04 1 895 . 94 GLU HG3 H 2.541 0.04 1 896 . 94 GLU C C 177.21 0.1 1 897 . 94 GLU HB2 H 2.077 0.04 1 898 . 94 GLU HB3 H 2.077 0.04 1 899 . 95 GLU N N 118.98 0.1 1 900 . 95 GLU H H 8.050 0.04 1 901 . 95 GLU CA C 53.06 0.1 1 902 . 95 GLU HA H 4.757 0.04 1 903 . 95 GLU CB C 30.19 0.102 1 904 . 95 GLU CG C 36.38 0.1 1 905 . 95 GLU HB2 H 2.137 0.04 1 906 . 95 GLU HB3 H 2.137 0.04 1 907 . 95 GLU HG2 H 2.159 0.04 1 908 . 95 GLU HG3 H 2.159 0.04 1 909 . 96 PRO CA C 63.85 0.1 1 910 . 96 PRO HA H 4.544 0.04 1 911 . 96 PRO CB C 31.20 0.1 1 912 . 96 PRO CG C 27.85 0.1 1 913 . 96 PRO CD C 49.73 0.1 1 914 . 96 PRO HD2 H 3.420 0.04 1 915 . 96 PRO HD3 H 3.509 0.04 1 916 . 96 PRO C C 179.22 0.1 1 917 . 97 GLY N N 112.52 0.1 1 918 . 97 GLY H H 9.092 0.04 1 919 . 97 GLY CA C 45.09 0.1 1 920 . 97 GLY HA2 H 3.811 0.04 1 921 . 97 GLY HA3 H 4.312 0.04 1 922 . 97 GLY C C 175.55 0.1 1 923 . 98 CYS N N 117.44 0.1 1 924 . 98 CYS H H 8.187 0.04 1 925 . 98 CYS CA C 57.62 0.1 1 926 . 98 CYS HA H 4.773 0.04 1 927 . 98 CYS CB C 29.15 0.1 1 928 . 98 CYS HB2 H 3.098 0.04 1 929 . 98 CYS HB3 H 3.293 0.04 1 930 . 98 CYS C C 171.17 0.1 1 931 . 99 CYS N N 117.05 0.1 1 932 . 99 CYS H H 7.279 0.04 1 933 . 99 CYS CA C 55.72 0.1 1 934 . 99 CYS HA H 5.128 0.04 1 935 . 99 CYS CB C 29.27 0.1 1 936 . 99 CYS HB2 H 2.442 0.04 1 937 . 99 CYS HB3 H 2.700 0.04 1 938 . 99 CYS C C 173.39 0.1 1 939 . 100 VAL N N 129.48 0.1 1 940 . 100 VAL H H 8.453 0.04 1 941 . 100 VAL CA C 61.79 0.1 1 942 . 100 VAL HA H 4.567 0.04 1 943 . 100 VAL CB C 33.46 0.1 1 944 . 100 VAL HB H 2.072 0.04 1 945 . 100 VAL CG1 C 20.97 0.1 1 946 . 100 VAL CG2 C 20.95 0.1 1 947 . 100 VAL C C 175.25 0.1 1 948 . 100 VAL HG1 H 0.541 0.04 1 949 . 100 VAL HG2 H 1.032 0.04 1 950 . 101 ALA H H 9.042 0.04 1 951 . 101 ALA N N 129.22 0.1 1 952 . 101 ALA CA C 49.45 0.1 1 953 . 101 ALA HA H 5.922 0.04 1 954 . 101 ALA CB C 23.82 0.1 1 955 . 101 ALA C C 175.65 0.1 1 956 . 101 ALA HB H 1.496 0.04 1 957 . 102 VAL N N 119.21 0.1 1 958 . 102 VAL H H 9.147 0.04 1 959 . 102 VAL CA C 58.50 0.112 1 960 . 102 VAL HA H 5.745 0.04 1 961 . 102 VAL CB C 35.14 0.1 1 962 . 102 VAL HB H 2.107 0.04 1 963 . 102 VAL CG1 C 20.10 0.1 1 964 . 102 VAL CG2 C 21.14 0.1 1 965 . 102 VAL C C 173.72 0.1 1 966 . 102 VAL HG1 H 1.008 0.04 1 967 . 102 VAL HG2 H 0.943 0.04 1 968 . 103 HIS N N 118.83 0.1 1 969 . 103 HIS H H 8.377 0.04 1 970 . 103 HIS CA C 55.26 0.1 1 971 . 103 HIS HA H 4.936 0.04 1 972 . 103 HIS CB C 33.31 0.1 1 973 . 103 HIS C C 171.36 0.1 1 974 . 103 HIS HB2 H 3.246 0.088 1 975 . 103 HIS HB3 H 3.246 0.088 1 976 . 104 CYS N N 122.08 0.1 1 977 . 104 CYS H H 8.843 0.04 1 978 . 104 CYS CA C 55.21 0.1 1 979 . 104 CYS HA H 4.893 0.04 1 980 . 104 CYS CB C 28.83 0.1 1 981 . 104 CYS C C 173.91 0.1 1 982 . 105 VAL N N 123.79 0.1 1 983 . 105 VAL H H 9.126 0.04 1 984 . 105 VAL CA C 60.89 0.1 1 985 . 105 VAL CB C 31.60 0.1 1 986 . 105 VAL C C 177.19 0.1 1 987 . 106 ALA H H 8.348 0.04 1 988 . 106 ALA N N 114.25 0.1 1 989 . 106 ALA CA C 52.68 0.1 1 990 . 106 ALA CB C 18.86 0.1 1 991 . 106 ALA C C 178.43 0.1 1 992 . 106 ALA HB H 1.690 0.04 1 993 . 107 GLY N N 108.30 0.1 1 994 . 107 GLY H H 8.022 0.04 1 995 . 107 GLY CA C 45.66 0.1 1 996 . 107 GLY C C 172.91 0.1 1 997 . 107 GLY HA2 H 3.937 0.04 1 998 . 107 GLY HA3 H 3.937 0.04 1 999 . 108 LEU N N 118.26 0.101 1 1000 . 108 LEU H H 8.138 0.04 1 1001 . 108 LEU CA C 55.24 0.1 1 1002 . 108 LEU CB C 44.65 0.1 1 1003 . 108 LEU CG C 25.90 0.1 1 1004 . 108 LEU HG H 1.398 0.04 1 1005 . 108 LEU CD1 C 25.07 0.1 1 1006 . 108 LEU CD2 C 22.17 0.1 1 1007 . 108 LEU HD1 H 0.813 0.04 1 1008 . 108 LEU HD2 H 0.585 0.04 1 1009 . 109 GLY N N 111.15 0.1 1 1010 . 109 GLY H H 9.928 0.04 1 1011 . 109 GLY CA C 46.54 0.1 1 1012 . 109 GLY C C 174.11 0.1 1 1013 . 110 ARG N N 127.56 0.1 1 1014 . 110 ARG H H 9.978 0.04 1 1015 . 110 ARG CA C 60.76 0.1 1 1016 . 110 ARG HA H 3.729 0.04 1 1017 . 110 ARG CB C 31.77 0.1 1 1018 . 112 PRO CA C 66.80 0.1 1 1019 . 112 PRO CB C 30.87 0.1 1 1020 . 112 PRO C C 177.43 0.1 1 1021 . 112 PRO HB2 H 1.492 0.04 1 1022 . 112 PRO HB3 H 1.492 0.04 1 1023 . 113 VAL N N 116.95 0.1 1 1024 . 113 VAL H H 8.385 0.04 1 1025 . 113 VAL CA C 67.28 0.102 1 1026 . 113 VAL HA H 3.877 0.04 1 1027 . 113 VAL CB C 30.87 0.1 1 1028 . 113 VAL HB H 2.433 0.04 1 1029 . 113 VAL CG1 C 21.75 0.1 1 1030 . 113 VAL CG2 C 24.63 0.1 1 1031 . 113 VAL C C 176.36 0.1 1 1032 . 113 VAL HG1 H 1.042 0.04 1 1033 . 113 VAL HG2 H 1.236 0.04 1 1034 . 114 LEU N N 118.99 0.1 1 1035 . 114 LEU H H 7.209 0.04 1 1036 . 114 LEU CA C 58.28 0.1 1 1037 . 114 LEU HA H 3.806 0.04 1 1038 . 114 LEU CB C 39.27 0.1 1 1039 . 114 LEU CG C 26.73 0.1 1 1040 . 114 LEU HG H 1.366 0.04 1 1041 . 114 LEU CD1 C 22.59 0.1 1 1042 . 114 LEU C C 180.26 0.1 1 1043 . 114 LEU HD1 H 0.715 0.04 1 1044 . 114 LEU HB2 H 1.280 0.04 1 1045 . 114 LEU HB3 H 1.280 0.04 1 1046 . 115 VAL N N 120.14 0.1 1 1047 . 115 VAL H H 7.627 0.04 1 1048 . 115 VAL CA C 67.21 0.1 1 1049 . 115 VAL HA H 3.218 0.04 1 1050 . 115 VAL CB C 30.82 0.1 1 1051 . 115 VAL HB H 1.898 0.04 1 1052 . 115 VAL CG1 C 21.10 0.1 1 1053 . 115 VAL CG2 C 22.61 0.1 1 1054 . 115 VAL C C 176.58 0.1 1 1055 . 115 VAL HG1 H 0.557 0.04 1 1056 . 115 VAL HG2 H 0.714 0.04 1 1057 . 116 ALA H H 8.802 0.04 1 1058 . 116 ALA N N 121.60 0.1 1 1059 . 116 ALA CA C 55.80 0.1 1 1060 . 116 ALA HA H 3.852 0.04 1 1061 . 116 ALA CB C 18.35 0.1 1 1062 . 116 ALA C C 178.85 0.1 1 1063 . 116 ALA HB H 1.492 0.04 1 1064 . 117 LEU N N 115.88 0.1 1 1065 . 117 LEU H H 8.134 0.04 1 1066 . 117 LEU CA C 58.09 0.1 1 1067 . 117 LEU HA H 3.797 0.04 1 1068 . 117 LEU CB C 42.68 0.1 1 1069 . 117 LEU HB2 H 1.257 0.04 1 1070 . 117 LEU HB3 H 1.981 0.04 1 1071 . 117 LEU CG C 26.96 0.1 1 1072 . 117 LEU HG H 0.849 0.04 1 1073 . 117 LEU CD1 C 22.38 0.1 1 1074 . 117 LEU CD2 C 22.59 0.1 1 1075 . 117 LEU C C 178.51 0.1 1 1076 . 117 LEU HD1 H 0.214 0.04 1 1077 . 117 LEU HD2 H 0.780 0.04 1 1078 . 118 ALA H H 7.595 0.04 1 1079 . 118 ALA N N 120.01 0.1 1 1080 . 118 ALA CA C 55.07 0.1 1 1081 . 118 ALA HA H 3.990 0.04 1 1082 . 118 ALA CB C 19.35 0.1 1 1083 . 118 ALA C C 178.81 0.1 1 1084 . 118 ALA HB H 1.607 0.04 1 1085 . 119 LEU N N 115.92 0.1 1 1086 . 119 LEU H H 7.837 0.04 1 1087 . 119 LEU CA C 58.19 0.103 1 1088 . 119 LEU HA H 3.792 0.04 1 1089 . 119 LEU CB C 39.57 0.1 1 1090 . 119 LEU HB2 H 1.439 0.04 1 1091 . 119 LEU HB3 H 1.971 0.04 1 1092 . 119 LEU CG C 26.32 0.1 1 1093 . 119 LEU HG H 1.984 0.04 1 1094 . 119 LEU CD1 C 22.17 0.1 1 1095 . 119 LEU CD2 C 25.90 0.1 1 1096 . 119 LEU C C 180.05 0.1 1 1097 . 119 LEU HD1 H 0.634 0.04 1 1098 . 119 LEU HD2 H 0.878 0.04 1 1099 . 120 ILE N N 122.18 0.1 1 1100 . 120 ILE H H 8.471 0.04 1 1101 . 120 ILE CA C 63.84 0.1 1 1102 . 120 ILE HA H 4.730 0.04 1 1103 . 120 ILE CB C 39.21 0.212 1 1104 . 120 ILE HB H 1.939 0.04 1 1105 . 120 ILE CG1 C 29.01 0.1 1 1106 . 120 ILE HG12 H 1.008 0.04 1 1107 . 120 ILE HG13 H 1.724 0.04 1 1108 . 120 ILE CG2 C 16.83 0.1 1 1109 . 120 ILE CD1 C 14.51 0.1 1 1110 . 120 ILE C C 181.46 0.1 1 1111 . 120 ILE HD1 H 0.910 0.04 1 1112 . 120 ILE HG2 H 1.203 0.04 1 1113 . 121 GLU N N 120.64 0.1 1 1114 . 121 GLU H H 8.589 0.04 1 1115 . 121 GLU CA C 58.89 0.1 1 1116 . 121 GLU HA H 4.601 0.04 1 1117 . 121 GLU CB C 28.73 0.1 1 1118 . 121 GLU HB2 H 2.159 0.04 1 1119 . 121 GLU HB3 H 2.364 0.04 1 1120 . 121 GLU CG C 35.55 0.1 1 1121 . 121 GLU C C 176.15 0.1 1 1122 . 121 GLU HG2 H 2.649 0.04 1 1123 . 121 GLU HG3 H 2.649 0.04 1 1124 . 122 CYS N N 118.79 0.1 1 1125 . 122 CYS H H 7.813 0.04 1 1126 . 122 CYS CA C 58.37 0.1 1 1127 . 122 CYS HA H 4.616 0.04 1 1128 . 122 CYS CB C 28.43 0.1 1 1129 . 122 CYS HB2 H 3.045 0.04 1 1130 . 122 CYS HB3 H 3.202 0.04 1 1131 . 122 CYS C C 175.65 0.1 1 1132 . 123 GLY N N 106.57 0.1 1 1133 . 123 GLY H H 7.857 0.04 1 1134 . 123 GLY CA C 45.19 0.1 1 1135 . 123 GLY HA2 H 3.697 0.04 1 1136 . 123 GLY HA3 H 4.531 0.04 1 1137 . 123 GLY C C 173.94 0.1 1 1138 . 124 MET N N 123.17 0.1 1 1139 . 124 MET H H 8.180 0.04 1 1140 . 124 MET CA C 56.58 0.1 1 1141 . 124 MET HA H 4.295 0.04 1 1142 . 124 MET CB C 33.90 0.1 1 1143 . 124 MET CG C 33.04 0.1 1 1144 . 124 MET HG2 H 2.317 0.04 1 1145 . 124 MET HG3 H 2.466 0.04 1 1146 . 124 MET C C 176.20 0.1 1 1147 . 124 MET HB2 H 1.419 0.04 1 1148 . 124 MET HB3 H 1.419 0.04 1 1149 . 125 LYS N N 125.75 0.1 1 1150 . 125 LYS H H 8.959 0.04 1 1151 . 125 LYS CA C 56.76 0.1 1 1152 . 125 LYS HA H 4.316 0.04 1 1153 . 125 LYS CB C 32.74 0.1 1 1154 . 125 LYS HB2 H 1.871 0.04 1 1155 . 125 LYS HB3 H 2.094 0.04 1 1156 . 125 LYS CG C 25.32 0.1 1 1157 . 125 LYS CD C 29.15 0.100 1 1158 . 125 LYS CE C 41.90 0.1 1 1159 . 125 LYS C C 178.60 0.1 1 1160 . 125 LYS HG2 H 1.684 0.04 1 1161 . 125 LYS HG3 H 1.684 0.04 1 1162 . 125 LYS HD2 H 1.809 0.04 1 1163 . 125 LYS HD3 H 1.809 0.04 1 1164 . 125 LYS HE2 H 3.085 0.04 1 1165 . 125 LYS HE3 H 3.085 0.04 1 1166 . 126 TYR N N 124.11 0.1 1 1167 . 126 TYR H H 9.207 0.04 1 1168 . 126 TYR CA C 61.21 0.1 1 1169 . 126 TYR HA H 4.066 0.04 1 1170 . 126 TYR CB C 37.91 0.1 1 1171 . 126 TYR HB2 H 2.957 0.04 1 1172 . 126 TYR HB3 H 3.235 0.04 1 1173 . 126 TYR C C 175.78 0.1 1 1174 . 126 TYR CD1 C 133.15 0.1 1 1175 . 126 TYR CD2 C 133.15 0.1 1 1176 . 126 TYR HD1 H 6.898 0.04 1 1177 . 126 TYR HD2 H 6.898 0.04 1 1178 . 126 TYR CE1 C 118.96 0.1 1 1179 . 126 TYR CE2 C 118.96 0.1 1 1180 . 126 TYR HE1 H 6.735 0.04 1 1181 . 126 TYR HE2 H 6.735 0.04 1 1182 . 127 GLU N N 119.24 0.1 1 1183 . 127 GLU H H 9.239 0.04 1 1184 . 127 GLU CA C 59.98 0.1 1 1185 . 127 GLU HA H 3.190 0.04 1 1186 . 127 GLU CB C 28.73 0.1 1 1187 . 127 GLU CG C 36.65 0.1 1 1188 . 127 GLU HG2 H 2.064 0.04 1 1189 . 127 GLU HG3 H 2.248 0.04 1 1190 . 127 GLU C C 179.22 0.1 1 1191 . 127 GLU HB2 H 1.783 0.04 1 1192 . 127 GLU HB3 H 1.783 0.04 1 1193 . 128 ASP N N 118.44 0.1 1 1194 . 128 ASP H H 6.822 0.04 1 1195 . 128 ASP CA C 56.33 0.1 1 1196 . 128 ASP HA H 4.441 0.04 1 1197 . 128 ASP CB C 40.05 0.1 1 1198 . 128 ASP C C 177.89 0.1 1 1199 . 128 ASP HB2 H 2.700 0.04 1 1200 . 128 ASP HB3 H 2.700 0.04 1 1201 . 129 ALA H H 8.407 0.04 1 1202 . 129 ALA N N 125.49 0.1 1 1203 . 129 ALA CA C 55.32 0.1 1 1204 . 129 ALA HA H 4.269 0.04 1 1205 . 129 ALA CB C 18.14 0.1 1 1206 . 129 ALA C C 179.12 0.1 1 1207 . 129 ALA HB H 1.298 0.04 1 1208 . 130 VAL N N 116.01 0.1 1 1209 . 130 VAL H H 8.062 0.04 1 1210 . 130 VAL CA C 66.47 0.101 1 1211 . 130 VAL HA H 3.571 0.04 1 1212 . 130 VAL CB C 31.61 0.1 1 1213 . 130 VAL HB H 1.796 0.04 1 1214 . 130 VAL CG1 C 22.65 0.1 1 1215 . 130 VAL CG2 C 20.57 0.1 1 1216 . 130 VAL C C 178.31 0.1 1 1217 . 130 VAL HG1 H 0.525 0.04 1 1218 . 130 VAL HG2 H 0.815 0.04 1 1219 . 131 GLN N N 118.11 0.1 1 1220 . 131 GLN H H 7.520 0.04 1 1221 . 131 GLN CA C 58.78 0.1 1 1222 . 131 GLN HA H 4.093 0.04 1 1223 . 131 GLN CB C 28.39 0.1 1 1224 . 131 GLN CG C 33.58 0.1 1 1225 . 131 GLN HG2 H 2.256 0.04 1 1226 . 131 GLN HG3 H 2.516 0.04 1 1227 . 131 GLN NE2 N 111.63 0.1 1 1228 . 131 GLN HE21 H 6.868 0.04 1 1229 . 131 GLN HE22 H 7.517 0.04 1 1230 . 131 GLN C C 177.81 0.1 1 1231 . 131 GLN HB2 H 2.203 0.04 1 1232 . 131 GLN HB3 H 2.203 0.04 1 1233 . 132 PHE N N 120.85 0.1 1 1234 . 132 PHE H H 8.575 0.04 1 1235 . 132 PHE CA C 60.01 0.1 1 1236 . 132 PHE HA H 4.381 0.04 1 1237 . 132 PHE CB C 39.71 0.1 1 1238 . 132 PHE HB2 H 3.116 0.04 1 1239 . 132 PHE HB3 H 3.434 0.04 1 1240 . 132 PHE C C 178.10 0.1 1 1241 . 133 ILE N N 115.91 0.1 1 1242 . 133 ILE H H 7.909 0.04 1 1243 . 133 ILE CA C 64.35 0.1 1 1244 . 133 ILE HA H 3.614 0.04 1 1245 . 133 ILE CB C 37.28 0.1 1 1246 . 133 ILE HB H 1.905 0.04 1 1247 . 133 ILE CG1 C 29.80 0.1 1 1248 . 133 ILE HG12 H 1.138 0.04 1 1249 . 133 ILE HG13 H 1.887 0.04 1 1250 . 133 ILE CG2 C 17.03 0.1 1 1251 . 133 ILE CD1 C 13.48 0.1 1 1252 . 133 ILE C C 178.30 0.1 1 1253 . 133 ILE HD1 H 0.975 0.04 1 1254 . 133 ILE HG2 H 0.651 0.04 1 1255 . 134 ARG N N 119.37 0.1 1 1256 . 134 ARG H H 8.772 0.04 1 1257 . 134 ARG CA C 59.07 0.1 1 1258 . 134 ARG HA H 4.294 0.04 1 1259 . 134 ARG CB C 30.41 0.1 1 1260 . 134 ARG HB2 H 2.019 0.04 1 1261 . 134 ARG HB3 H 2.136 0.04 1 1262 . 134 ARG CD C 44.16 0.1 1 1263 . 134 ARG C C 177.90 0.1 1 1264 . 134 ARG HD2 H 3.236 0.04 1 1265 . 134 ARG HD3 H 3.236 0.04 1 1266 . 135 GLN N N 116.82 0.1 1 1267 . 135 GLN H H 7.921 0.04 1 1268 . 135 GLN CA C 58.34 0.1 1 1269 . 135 GLN HA H 4.072 0.04 1 1270 . 135 GLN CB C 28.34 0.1 1 1271 . 135 GLN HB2 H 2.146 0.04 1 1272 . 135 GLN HB3 H 2.246 0.04 1 1273 . 135 GLN CG C 34.11 0.1 1 1274 . 135 GLN NE2 N 111.28 0.1 1 1275 . 135 GLN HE21 H 6.880 0.04 1 1276 . 135 GLN HE22 H 7.433 0.04 1 1277 . 135 GLN C C 177.63 0.1 1 1278 . 135 GLN HG2 H 2.568 0.04 1 1279 . 135 GLN HG3 H 2.568 0.04 1 1280 . 136 LYS N N 115.82 0.1 1 1281 . 136 LYS H H 7.230 0.04 1 1282 . 136 LYS CA C 56.01 0.100 1 1283 . 136 LYS HA H 4.388 0.04 1 1284 . 136 LYS CB C 33.73 0.1 1 1285 . 136 LYS CG C 24.84 0.1 1 1286 . 136 LYS CD C 28.90 0.1 1 1287 . 136 LYS HD2 H 1.594 0.04 1 1288 . 136 LYS HD3 H 1.691 0.04 1 1289 . 136 LYS C C 176.23 0.1 1 1290 . 136 LYS HB2 H 1.817 0.04 1 1291 . 136 LYS HB3 H 1.817 0.04 1 1292 . 136 LYS HG2 H 1.398 0.04 1 1293 . 136 LYS HG3 H 1.398 0.04 1 1294 . 137 ARG N N 123.14 0.1 1 1295 . 137 ARG H H 8.432 0.04 1 1296 . 137 ARG CA C 53.10 0.1 1 1297 . 137 ARG HA H 4.491 0.04 1 1298 . 137 ARG CB C 29.41 0.1 1 1299 . 137 ARG HB2 H 1.366 0.04 1 1300 . 137 ARG HB3 H 1.756 0.04 1 1301 . 137 ARG C C 172.94 0.1 1 1302 . 138 ARG N N 126.08 0.1 1 1303 . 138 ARG H H 8.329 0.04 1 1304 . 138 ARG CA C 58.24 0.1 1 1305 . 138 ARG HA H 4.294 0.04 1 1306 . 138 ARG CB C 29.66 0.1 1 1307 . 138 ARG CG C 26.73 0.1 1 1308 . 138 ARG CD C 43.14 0.1 1 1309 . 138 ARG C C 177.88 0.1 1 1310 . 138 ARG HB2 H 1.821 0.04 1 1311 . 138 ARG HB3 H 1.821 0.04 1 1312 . 138 ARG HG2 H 1.724 0.04 1 1313 . 138 ARG HG3 H 1.724 0.04 1 1314 . 138 ARG HD2 H 3.250 0.04 1 1315 . 138 ARG HD3 H 3.250 0.04 1 1316 . 139 GLY N N 108.59 0.1 1 1317 . 139 GLY H H 8.950 0.04 1 1318 . 139 GLY CA C 44.68 0.1 1 1319 . 139 GLY C C 174.11 0.1 1 1320 . 139 GLY HA2 H 3.870 0.04 1 1321 . 139 GLY HA3 H 3.870 0.04 1 1322 . 140 ALA H H 7.352 0.04 1 1323 . 140 ALA N N 121.31 0.1 1 1324 . 140 ALA CA C 52.93 0.1 1 1325 . 140 ALA HA H 4.157 0.04 1 1326 . 140 ALA CB C 18.19 0.1 1 1327 . 140 ALA C C 176.97 0.1 1 1328 . 140 ALA HB H 0.643 0.04 1 1329 . 141 PHE N N 110.92 0.1 1 1330 . 141 PHE H H 8.275 0.04 1 1331 . 141 PHE CA C 59.75 0.1 1 1332 . 141 PHE HA H 3.789 0.04 1 1333 . 141 PHE CB C 39.57 0.1 1 1334 . 141 PHE HB2 H 3.053 0.04 1 1335 . 141 PHE HB3 H 3.117 0.04 1 1336 . 141 PHE C C 175.35 0.1 1 1337 . 141 PHE CD1 C 131.90 0.1 1 1338 . 141 PHE CD2 C 131.90 0.1 1 1339 . 141 PHE HD1 H 7.158 0.04 1 1340 . 141 PHE HD2 H 7.158 0.04 1 1341 . 142 ASN N N 120.68 0.1 1 1342 . 142 ASN H H 8.278 0.04 1 1343 . 142 ASN CA C 50.60 0.1 1 1344 . 142 ASN HA H 4.977 0.04 1 1345 . 142 ASN CB C 38.59 0.1 1 1346 . 142 ASN HB2 H 2.925 0.04 1 1347 . 142 ASN HB3 H 3.485 0.04 1 1348 . 143 SER CA C 62.40 0.1 1 1349 . 143 SER HA H 4.186 0.04 1 1350 . 143 SER CB C 62.49 0.1 1 1351 . 143 SER C C 176.80 0.1 1 1352 . 143 SER HB2 H 4.008 0.04 1 1353 . 143 SER HB3 H 4.008 0.04 1 1354 . 144 LYS N N 122.14 0.1 1 1355 . 144 LYS H H 7.811 0.04 1 1356 . 144 LYS CA C 59.42 0.1 1 1357 . 144 LYS HA H 4.124 0.04 1 1358 . 144 LYS CB C 32.21 0.1 1 1359 . 144 LYS HB2 H 1.883 0.04 1 1360 . 144 LYS HB3 H 1.980 0.04 1 1361 . 144 LYS CG C 25.37 0.1 1 1362 . 144 LYS CD C 29.21 0.1 1 1363 . 144 LYS C C 180.14 0.1 1 1364 . 144 LYS HG2 H 1.587 0.04 1 1365 . 144 LYS HG3 H 1.587 0.04 1 1366 . 144 LYS HD2 H 1.789 0.04 1 1367 . 144 LYS HD3 H 1.789 0.04 1 1368 . 145 GLN N N 120.65 0.1 1 1369 . 145 GLN H H 8.664 0.04 1 1370 . 145 GLN CA C 58.96 0.1 1 1371 . 145 GLN HA H 3.904 0.04 1 1372 . 145 GLN CB C 26.97 0.1 1 1373 . 145 GLN HB2 H 1.789 0.04 1 1374 . 145 GLN HB3 H 2.505 0.04 1 1375 . 145 GLN CG C 34.56 0.1 1 1376 . 145 GLN HG2 H 2.090 0.04 1 1377 . 145 GLN HG3 H 2.565 0.04 1 1378 . 145 GLN C C 177.89 0.1 1 1379 . 146 LEU N N 119.28 0.1 1 1380 . 146 LEU H H 8.485 0.04 1 1381 . 146 LEU CA C 58.28 0.1 1 1382 . 146 LEU HA H 3.951 0.04 1 1383 . 146 LEU CB C 41.44 0.1 1 1384 . 146 LEU HB2 H 1.740 0.04 1 1385 . 146 LEU HB3 H 1.861 0.04 1 1386 . 146 LEU CG C 26.52 0.1 1 1387 . 146 LEU HG H 1.854 0.04 1 1388 . 146 LEU CD1 C 25.69 0.1 1 1389 . 146 LEU CD2 C 24.24 0.1 1 1390 . 146 LEU C C 178.79 0.1 1 1391 . 146 LEU HD1 H 0.943 0.04 1 1392 . 146 LEU HD2 H 0.772 0.04 1 1393 . 147 LEU N N 119.58 0.1 1 1394 . 147 LEU H H 7.791 0.04 1 1395 . 147 LEU CA C 57.59 0.1 1 1396 . 147 LEU HA H 4.100 0.04 1 1397 . 147 LEU CB C 41.70 0.1 1 1398 . 147 LEU CG C 26.87 0.100 1 1399 . 147 LEU HG H 1.724 0.04 1 1400 . 147 LEU CD1 C 24.24 0.1 1 1401 . 147 LEU CD2 C 24.24 0.1 1 1402 . 147 LEU C C 178.75 0.1 1 1403 . 147 LEU HD1 H 0.910 0.04 1 1404 . 147 LEU HD2 H 0.943 0.04 1 1405 . 147 LEU HB2 H 1.731 0.04 1 1406 . 147 LEU HB3 H 1.731 0.04 1 1407 . 148 TYR N N 118.31 0.1 1 1408 . 148 TYR H H 7.570 0.04 1 1409 . 148 TYR CA C 60.86 0.108 1 1410 . 148 TYR HA H 4.098 0.04 1 1411 . 148 TYR CB C 37.95 0.1 1 1412 . 148 TYR C C 177.90 0.1 1 1413 . 148 TYR HB2 H 3.193 0.04 1 1414 . 148 TYR HB3 H 3.193 0.04 1 1415 . 148 TYR CD1 C 132.94 0.1 1 1416 . 148 TYR CD2 C 132.94 0.1 1 1417 . 148 TYR HD1 H 6.995 0.04 1 1418 . 148 TYR HD2 H 6.995 0.04 1 1419 . 148 TYR CE1 C 118.03 0.1 1 1420 . 148 TYR CE2 C 118.03 0.1 1 1421 . 148 TYR HE1 H 6.702 0.04 1 1422 . 148 TYR HE2 H 6.702 0.04 1 1423 . 149 LEU N N 119.00 0.1 1 1424 . 149 LEU H H 7.886 0.04 1 1425 . 149 LEU CA C 57.32 0.1 1 1426 . 149 LEU HA H 3.643 0.04 1 1427 . 149 LEU CB C 42.13 0.1 1 1428 . 149 LEU HB2 H 1.130 0.04 1 1429 . 149 LEU HB3 H 2.036 0.04 1 1430 . 149 LEU CG C 26.42 0.1 1 1431 . 149 LEU HG H 2.017 0.04 1 1432 . 149 LEU CD1 C 26.32 0.1 1 1433 . 149 LEU CD2 C 22.68 0.1 1 1434 . 149 LEU C C 176.90 0.1 1 1435 . 149 LEU HD1 H 0.333 0.04 1 1436 . 149 LEU HD2 H 0.780 0.04 1 1437 . 150 GLU N N 120.41 0.1 1 1438 . 150 GLU H H 8.071 0.04 1 1439 . 150 GLU CA C 58.22 0.1 1 1440 . 150 GLU HA H 2.345 0.04 1 1441 . 150 GLU CB C 29.27 0.1 1 1442 . 150 GLU HB2 H 1.529 0.04 1 1443 . 150 GLU HB3 H 1.854 0.04 1 1444 . 150 GLU CG C 35.87 0.1 1 1445 . 150 GLU C C 177.86 0.1 1 1446 . 150 GLU HG2 H 1.855 0.04 1 1447 . 150 GLU HG3 H 1.855 0.04 1 1448 . 151 LYS N N 114.19 0.124 1 1449 . 151 LYS H H 7.191 0.04 1 1450 . 151 LYS CA C 55.25 0.1 1 1451 . 151 LYS HA H 4.075 0.04 1 1452 . 151 LYS CB C 32.44 0.1 1 1453 . 151 LYS HB2 H 1.673 0.04 1 1454 . 151 LYS HB3 H 1.850 0.04 1 1455 . 151 LYS CG C 24.95 0.1 1 1456 . 151 LYS CD C 28.49 0.1 1 1457 . 151 LYS CE C 42.26 0.118 1 1458 . 151 LYS C C 176.06 0.1 1 1459 . 151 LYS HG2 H 1.464 0.04 1 1460 . 151 LYS HG3 H 1.464 0.04 1 1461 . 151 LYS HD2 H 1.561 0.04 1 1462 . 151 LYS HD3 H 1.561 0.04 1 1463 . 151 LYS HE2 H 2.907 0.04 1 1464 . 151 LYS HE3 H 2.907 0.04 1 1465 . 152 TYR N N 123.78 0.1 1 1466 . 152 TYR H H 7.168 0.04 1 1467 . 152 TYR CA C 59.68 0.1 1 1468 . 152 TYR HA H 3.766 0.04 1 1469 . 152 TYR CB C 37.94 0.1 1 1470 . 152 TYR HB2 H 2.686 0.04 1 1471 . 152 TYR HB3 H 2.772 0.04 1 1472 . 152 TYR C C 175.35 0.1 1 1473 . 152 TYR CD1 C 132.53 0.1 1 1474 . 152 TYR CD2 C 132.53 0.1 1 1475 . 152 TYR HD1 H 6.735 0.04 1 1476 . 152 TYR HD2 H 6.735 0.04 1 1477 . 152 TYR CE1 C 117.41 0.1 1 1478 . 152 TYR CE2 C 117.41 0.1 1 1479 . 152 TYR HE1 H 6.735 0.04 1 1480 . 152 TYR HE2 H 6.735 0.04 1 1481 . 153 ARG N N 130.36 0.1 1 1482 . 153 ARG H H 7.757 0.04 1 1483 . 153 ARG CA C 51.34 0.1 1 1484 . 153 ARG HA H 4.848 0.04 1 1485 . 153 ARG CB C 29.86 0.1 1 1486 . 153 ARG CG C 26.05 0.1 1 1487 . 153 ARG CD C 43.09 0.1 1 1488 . 153 ARG HB2 H 1.594 0.04 1 1489 . 153 ARG HB3 H 1.594 0.04 1 1490 . 153 ARG HG2 H 1.582 0.04 1 1491 . 153 ARG HG3 H 1.582 0.04 1 1492 . 153 ARG HD2 H 3.156 0.04 1 1493 . 153 ARG HD3 H 3.156 0.04 1 1494 . 154 PRO CA C 61.84 0.1 1 1495 . 154 PRO HA H 4.726 0.04 1 1496 . 154 PRO CB C 33.69 0.159 1 1497 . 154 PRO HB2 H 2.022 0.04 1 1498 . 154 PRO HB3 H 2.199 0.04 1 1499 . 154 PRO HG2 H 2.216 0.04 1 1500 . 154 PRO HG3 H 2.078 0.04 1 1501 . 154 PRO C C 177.08 0.1 1 1502 . 155 LYS N N 121.80 0.1 1 1503 . 155 LYS H H 9.623 0.04 1 1504 . 155 LYS CA C 55.75 0.1 1 1505 . 155 LYS HA H 4.531 0.04 1 1506 . 155 LYS CB C 33.36 0.1 1 1507 . 155 LYS HB2 H 1.672 0.04 1 1508 . 155 LYS HB3 H 2.031 0.04 1 1509 . 155 LYS CG C 25.49 0.1 1 1510 . 155 LYS C C 176.18 0.1 1 1511 . 155 LYS HG2 H 1.496 0.04 1 1512 . 155 LYS HG3 H 1.496 0.04 1 1513 . 156 MET N N 117.46 0.1 1 1514 . 156 MET H H 8.400 0.04 1 1515 . 156 MET CA C 55.68 0.1 1 1516 . 156 MET HA H 4.579 0.04 1 1517 . 156 MET CB C 28.80 0.1 1 1518 . 156 MET HB2 H 2.147 0.04 1 1519 . 156 MET HB3 H 2.375 0.04 1 1520 . 156 MET CG C 33.17 0.1 1 1521 . 156 MET HG2 H 2.478 0.04 1 1522 . 156 MET HG3 H 2.644 0.04 1 1523 . 156 MET C C 177.89 0.1 1 1524 . 157 ARG N N 116.59 0.1 1 1525 . 157 ARG H H 9.094 0.04 1 1526 . 157 ARG CA C 58.16 0.1 1 1527 . 157 ARG HA H 4.138 0.04 1 1528 . 157 ARG CB C 30.93 0.1 1 1529 . 157 ARG HB2 H 1.644 0.04 1 1530 . 157 ARG HB3 H 1.964 0.04 1 1531 . 157 ARG CG C 28.39 0.1 1 1532 . 157 ARG CD C 43.48 0.1 1 1533 . 157 ARG C C 177.20 0.1 1 1534 . 157 ARG HG2 H 1.756 0.04 1 1535 . 157 ARG HG3 H 1.756 0.04 1 1536 . 157 ARG HD2 H 3.211 0.04 1 1537 . 157 ARG HD3 H 3.211 0.04 1 1538 . 158 LEU N N 115.56 0.1 1 1539 . 158 LEU H H 7.846 0.04 1 1540 . 158 LEU CA C 53.36 0.111 1 1541 . 158 LEU HA H 4.585 0.04 1 1542 . 158 LEU CB C 41.51 0.1 1 1543 . 158 LEU HB2 H 1.434 0.04 1 1544 . 158 LEU HB3 H 1.932 0.04 1 1545 . 158 LEU CG C 27.56 0.1 1 1546 . 158 LEU HG H 1.529 0.04 1 1547 . 158 LEU CD1 C 23.21 0.1 1 1548 . 158 LEU CD2 C 26.94 0.1 1 1549 . 158 LEU C C 175.28 0.1 1 1550 . 158 LEU HD1 H 1.008 0.04 1 1551 . 158 LEU HD2 H 1.203 0.04 1 1552 . 159 ARG N N 119.56 0.1 1 1553 . 159 ARG H H 7.205 0.04 1 1554 . 159 ARG CA C 55.92 0.108 1 1555 . 159 ARG HA H 4.458 0.04 1 1556 . 159 ARG CB C 30.90 0.1 1 1557 . 159 ARG HB2 H 1.714 0.04 1 1558 . 159 ARG HB3 H 1.874 0.04 1 1559 . 159 ARG CG C 26.95 0.1 1 1560 . 159 ARG HG2 H 1.577 0.04 1 1561 . 159 ARG HG3 H 1.699 0.04 1 1562 . 159 ARG CD C 43.65 0.1 1 1563 . 159 ARG C C 175.66 0.1 1 1564 . 159 ARG HD2 H 3.238 0.04 1 1565 . 159 ARG HD3 H 3.238 0.04 1 1566 . 160 PHE N N 123.93 0.1 1 1567 . 160 PHE H H 8.606 0.04 1 1568 . 160 PHE CA C 57.49 0.127 1 1569 . 160 PHE HA H 4.724 0.04 1 1570 . 160 PHE CB C 39.57 0.1 1 1571 . 160 PHE C C 175.46 0.1 1 1572 . 160 PHE HB2 H 3.109 0.04 1 1573 . 160 PHE HB3 H 3.109 0.04 1 1574 . 160 PHE CD1 C 132.11 0.1 1 1575 . 160 PHE CD2 C 132.11 0.1 1 1576 . 160 PHE HD1 H 7.321 0.04 1 1577 . 160 PHE HD2 H 7.321 0.04 1 1578 . 161 ARG N N 121.49 0.1 1 1579 . 161 ARG H H 8.189 0.04 1 1580 . 161 ARG CA C 55.50 0.1 1 1581 . 161 ARG HA H 4.435 0.04 1 1582 . 161 ARG CB C 31.38 0.1 1 1583 . 161 ARG CG C 26.96 0.1 1 1584 . 161 ARG CD C 43.43 0.1 1 1585 . 161 ARG C C 175.35 0.1 1 1586 . 161 ARG HB2 H 1.794 0.04 1 1587 . 161 ARG HB3 H 1.794 0.04 1 1588 . 161 ARG HG2 H 1.577 0.04 1 1589 . 161 ARG HG3 H 1.577 0.04 1 1590 . 161 ARG HD2 H 3.198 0.04 1 1591 . 161 ARG HD3 H 3.198 0.04 1 1592 . 162 ASP N N 121.77 0.1 1 1593 . 162 ASP H H 8.427 0.04 1 1594 . 162 ASP CA C 54.28 0.1 1 1595 . 162 ASP CB C 41.15 0.1 1 1596 . 162 ASP HB2 H 2.668 0.04 1 1597 . 162 ASP HB3 H 2.793 0.04 1 1598 . 162 ASP C C 176.26 0.1 1 1599 . 163 THR N N 113.10 0.1 1 1600 . 163 THR H H 8.041 0.04 1 1601 . 163 THR CA C 61.19 0.1 1 1602 . 163 THR HA H 4.396 0.04 1 1603 . 163 THR CB C 69.81 0.1 1 1604 . 163 THR HB H 4.332 0.04 1 1605 . 163 THR CG2 C 21.38 0.1 1 1606 . 163 THR C C 173.62 0.1 1 1607 . 163 THR HG2 H 1.196 0.04 1 1608 . 164 ASN N N 126.12 0.1 1 1609 . 164 ASN H H 8.145 0.04 1 1610 . 164 ASN CA C 54.99 0.1 1 1611 . 164 ASN HA H 4.515 0.04 1 1612 . 164 ASN CB C 40.73 0.1 1 1613 . 164 ASN C C 176.41 0.1 1 1614 . 164 ASN HB2 H 2.788 0.04 1 1615 . 164 ASN HB3 H 2.788 0.04 1 1616 . 165 GLY N N 114.46 0.1 1 1617 . 165 GLY H H 8.385 0.04 1 1618 . 165 GLY CA C 45.48 0.1 1 1619 . 165 GLY C C 174.33 0.1 1 1620 . 165 GLY HA2 H 3.911 0.04 1 1621 . 165 GLY HA3 H 3.911 0.04 1 1622 . 166 HIS N N 119.11 0.1 1 1623 . 166 HIS H H 8.368 0.04 1 1624 . 168 CYS CA C 58.45 0.1 1 1625 . 168 CYS HA H 4.583 0.04 1 1626 . 168 CYS CB C 28.02 0.1 1 1627 . 168 CYS C C 174.35 0.1 1 1628 . 168 CYS HB2 H 2.955 0.04 1 1629 . 168 CYS HB3 H 2.955 0.04 1 1630 . 169 VAL N N 122.50 0.1 1 1631 . 169 VAL H H 8.207 0.04 1 1632 . 169 VAL CA C 62.20 0.1 1 1633 . 169 VAL HA H 4.161 0.04 1 1634 . 169 VAL CB C 32.75 0.1 1 1635 . 169 VAL HB H 2.077 0.04 1 1636 . 169 VAL CG2 C 20.93 0.1 1 1637 . 169 VAL C C 175.57 0.1 1 1638 . 169 VAL HG2 H 0.943 0.04 1 1639 . 169 VAL CG1 C 20.73 0.151 2 1640 . 169 VAL HG1 H 0.943 0.04 1 1641 . 170 GLN N N 124.62 0.1 1 1642 . 170 GLN H H 8.458 0.04 1 1643 . 170 GLN CA C 55.35 0.1 1 1644 . 170 GLN HA H 4.419 0.04 1 1645 . 170 GLN CB C 29.48 0.1 1 1646 . 170 GLN HB2 H 2.021 0.04 1 1647 . 170 GLN HB3 H 2.091 0.04 1 1648 . 170 GLN CG C 33.66 0.1 1 1649 . 170 GLN NE2 N 112.43 0.1 1 1650 . 170 GLN HE21 H 6.841 0.04 1 1651 . 170 GLN HE22 H 7.585 0.04 1 1652 . 170 GLN C C 175.44 0.1 1 1653 . 170 GLN HG2 H 2.370 0.04 1 1654 . 170 GLN HG3 H 2.370 0.04 1 1655 . 171 LEU N N 125.21 0.1 1 1656 . 171 LEU H H 8.392 0.04 1 1657 . 171 LEU CA C 55.15 0.112 1 1658 . 171 LEU HA H 4.409 0.04 1 1659 . 171 LEU CB C 42.43 0.1 1 1660 . 171 LEU CG C 26.87 0.1 1 1661 . 171 LEU HG H 1.626 0.04 1 1662 . 171 LEU CD1 C 23.75 0.1 1 1663 . 171 LEU CD2 C 25.06 0.1 1 1664 . 171 LEU C C 176.35 0.1 1 1665 . 171 LEU HB2 H 1.651 0.04 1 1666 . 171 LEU HB3 H 1.651 0.04 1 1667 . 171 LEU HD1 H 0.921 0.04 1 1668 . 171 LEU HD2 H 0.921 0.04 1 1669 . 172 GLU N N 126.31 0.1 1 1670 . 172 GLU H H 7.921 0.04 1 1671 . 172 GLU CA C 57.78 0.1 1 1672 . 172 GLU HA H 4.164 0.04 1 1673 . 172 GLU CB C 31.28 0.1 1 1674 . 172 GLU HB2 H 1.903 0.04 1 1675 . 172 GLU HB3 H 2.016 0.04 1 1676 . 172 GLU CG C 36.43 0.1 1 1677 . 172 GLU HG2 H 2.199 0.04 1 1678 . 172 GLU HG3 H 2.199 0.04 1 stop_ save_