data_6080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignments of the human protein tyrosine phosphatase PRL-1 ; _BMRB_accession_number 6080 _BMRB_flat_file_name bmr6080.str _Entry_type original _Submission_date 2004-01-14 _Accession_date 2004-01-15 _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 Laurence Jennifer S. . 2 Hallenga Klaas . . 3 Stauffacher Cynthia V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 543 "13C chemical shifts" 314 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-25 original author 'original release' 2008-09-18 update BMRB 'Add relationship loop' stop_ loop_ _Related_BMRB_accession_number _Relationship 15949 'Assignments of the Reduced and Active Form' stop_ _Original_release_date 2004-01-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, 13C resonance assignments of the human protein tyrosine phosphatase PRL-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213447 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laurence Jennifer S. . 2 Hallenga Klaas . . 3 Stauffacher Cynthia V. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 417 _Page_last 418 _Year 2004 _Details . loop_ _Keyword PRL-1 PTP(CaaX) PTPase 'protein tyrosine phosphatase' stop_ save_ ################################## # Molecular system description # ################################## save_system_PRL-1 _Saveframe_category molecular_system _Mol_system_name PRL-1 _Abbreviation_common PRL-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PRL-1 monomer' $PRL-1_monomer 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 phosphatase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PRL-1_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRL-1 _Abbreviation_common PRL-1 _Molecular_mass 19815 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MARMNRPAPVEVTYKNMRFL ITHNPTNATLNKFIEELKKY GVTTIVRVCEATYDTTLVEK EGIHVLDWPFDDGAPPSNQI VDDWLSLVKIKFREEPGCCI AVHCVAGLGRAPVLVALALI EGGMKYEDAVQFIRQKRRGA FNSKQLLYLEKYRPKMRLRF KDSNGHRNNCCIQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ARG 4 MET 5 ASN 6 ARG 7 PRO 8 ALA 9 PRO 10 VAL 11 GLU 12 VAL 13 THR 14 TYR 15 LYS 16 ASN 17 MET 18 ARG 19 PHE 20 LEU 21 ILE 22 THR 23 HIS 24 ASN 25 PRO 26 THR 27 ASN 28 ALA 29 THR 30 LEU 31 ASN 32 LYS 33 PHE 34 ILE 35 GLU 36 GLU 37 LEU 38 LYS 39 LYS 40 TYR 41 GLY 42 VAL 43 THR 44 THR 45 ILE 46 VAL 47 ARG 48 VAL 49 CYS 50 GLU 51 ALA 52 THR 53 TYR 54 ASP 55 THR 56 THR 57 LEU 58 VAL 59 GLU 60 LYS 61 GLU 62 GLY 63 ILE 64 HIS 65 VAL 66 LEU 67 ASP 68 TRP 69 PRO 70 PHE 71 ASP 72 ASP 73 GLY 74 ALA 75 PRO 76 PRO 77 SER 78 ASN 79 GLN 80 ILE 81 VAL 82 ASP 83 ASP 84 TRP 85 LEU 86 SER 87 LEU 88 VAL 89 LYS 90 ILE 91 LYS 92 PHE 93 ARG 94 GLU 95 GLU 96 PRO 97 GLY 98 CYS 99 CYS 100 ILE 101 ALA 102 VAL 103 HIS 104 CYS 105 VAL 106 ALA 107 GLY 108 LEU 109 GLY 110 ARG 111 ALA 112 PRO 113 VAL 114 LEU 115 VAL 116 ALA 117 LEU 118 ALA 119 LEU 120 ILE 121 GLU 122 GLY 123 GLY 124 MET 125 LYS 126 TYR 127 GLU 128 ASP 129 ALA 130 VAL 131 GLN 132 PHE 133 ILE 134 ARG 135 GLN 136 LYS 137 ARG 138 ARG 139 GLY 140 ALA 141 PHE 142 ASN 143 SER 144 LYS 145 GLN 146 LEU 147 LEU 148 TYR 149 LEU 150 GLU 151 LYS 152 TYR 153 ARG 154 PRO 155 LYS 156 MET 157 ARG 158 LEU 159 ARG 160 PHE 161 LYS 162 ASP 163 SER 164 ASN 165 GLY 166 HIS 167 ARG 168 ASN 169 ASN 170 CYS 171 CYS 172 ILE 173 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $PRL-1_monomer Human 9606 Eukaryota Metazoa Homo sapiens 'regenerating liver' 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 _Details $PRL-1_monomer 'recombinant technology' . . . . . 'The gene was provided by P. Crowell.' 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-1_monomer . mM 1.3 2.0 '[U-95% 13C; U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PRL-1_monomer . mM 1.5 2.0 '[U-98% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRL-1_monomer 2.0 mM '[1H methyl only, 2H U-98%; U-95% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Chili Probe' save_ ############################# # NMR applied experiments # ############################# save_CBCACONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CCONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_CCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _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_15N-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_13C-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 310 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 _Reference_correction_type water C 13 protons ppm 0.0 external indirect . . . . . water H 1 protons ppm 4.667 internal direct cylindrical internal parallel 1.0 temperature water N 15 protons ppm 0.0 external indirect . . . . . 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_ _Experiment_label CBCACONH HNCACB CCONH HCCONH CCCONH HNCO '1H-15N NOESY' '1H-13C NOESY' 15N-HSQC 13C-HSQC stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PRL-1 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 . 7 PRO CA C 59.506 0.2 1 2 . 7 PRO CB C 28.513 0.2 1 3 . 7 PRO CD C 47.273 0.2 1 4 . 7 PRO CG C 23.788 0.2 1 5 . 7 PRO HA H 4.428 0.02 1 6 . 7 PRO HB2 H 2.12 0.02 1 7 . 7 PRO HB3 H 1.523 0.02 1 8 . 7 PRO HD2 H 3.789 0.02 1 9 . 7 PRO HD3 H 3.354 0.02 1 10 . 7 PRO HG2 H 1.84 0.02 1 11 . 7 PRO HG3 H 1.693 0.02 1 12 . 8 ALA H H 8.446 0.02 1 13 . 8 ALA N N 125.958 0.2 1 14 . 9 PRO CA C 59.746 0.2 1 15 . 9 PRO CB C 29.549 0.2 1 16 . 10 VAL CA C 58.275 0.2 1 17 . 10 VAL CB C 31.182 0.2 1 18 . 10 VAL CG2 C 18.101 0.2 2 19 . 10 VAL HA H 4.337 0.02 1 20 . 10 VAL HB H 2.141 0.02 1 21 . 10 VAL HG1 H 1.04 0.02 2 22 . 10 VAL HG2 H 0.948 0.02 2 23 . 10 VAL H H 8.518 0.02 1 24 . 10 VAL N N 118.852 0.2 1 25 . 11 GLU CA C 52.048 0.2 1 26 . 11 GLU CB C 29.151 0.2 1 27 . 11 GLU HA H 5.173 0.02 1 28 . 11 GLU HB2 H 2.262 0.02 4 29 . 11 GLU H H 8.901 0.02 1 30 . 11 GLU N N 130.34 0.2 1 31 . 12 VAL CA C 58.619 0.2 1 32 . 12 VAL CB C 31.863 0.2 1 33 . 12 VAL CG1 C 18.465 0.2 1 34 . 12 VAL CG2 C 17.284 0.2 1 35 . 12 VAL HA H 4.488 0.02 1 36 . 12 VAL HB H 2.283 0.02 1 37 . 12 VAL HG1 H 1.105 0.02 2 38 . 12 VAL HG2 H 0.989 0.02 2 39 . 12 VAL H H 9.287 0.02 1 40 . 12 VAL N N 126.885 0.2 1 41 . 13 THR CA C 57.563 0.2 1 42 . 13 THR CB C 67.625 0.2 1 43 . 13 THR HA H 5.274 0.02 1 44 . 13 THR HB H 4.261 0.02 1 45 . 13 THR HG2 H 1.333 0.02 1 46 . 13 THR H H 8.754 0.02 1 47 . 13 THR N N 122.988 0.2 1 48 . 14 TYR CA C 55.017 0.2 1 49 . 14 TYR CB C 38.566 0.2 1 50 . 14 TYR HA H 4.719 0.02 1 51 . 14 TYR HB2 H 3.187 0.02 1 52 . 14 TYR HB3 H 2.507 0.02 1 53 . 14 TYR H H 8.489 0.02 1 54 . 14 TYR N N 124.749 0.2 1 55 . 15 LYS CA C 55.296 0.2 1 56 . 15 LYS CB C 26.525 0.2 1 57 . 15 LYS HA H 3.54 0.02 1 58 . 15 LYS HB2 H 1.471 0.02 4 59 . 15 LYS HE2 H 2.943 0.02 2 60 . 15 LYS H H 9.001 0.02 1 61 . 15 LYS N N 125.552 0.2 1 62 . 16 ASN CA C 50.705 0.2 1 63 . 16 ASN CB C 34.086 0.2 1 64 . 16 ASN HA H 4.65 0.02 1 65 . 16 ASN HB2 H 2.788 0.02 1 66 . 16 ASN HB3 H 3.127 0.02 1 67 . 16 ASN H H 8.29 0.02 1 68 . 16 ASN N N 119.602 0.2 1 69 . 17 MET CA C 52.035 0.2 1 70 . 17 MET CB C 31.654 0.2 1 71 . 17 MET HB2 H 2.108 0.02 2 72 . 17 MET HG2 H 2.514 0.02 1 73 . 17 MET HG3 H 2.352 0.02 1 74 . 17 MET H H 8.515 0.02 1 75 . 17 MET N N 119.448 0.2 1 76 . 18 ARG CA C 53.561 0.2 1 77 . 18 ARG CB C 30.592 0.2 1 78 . 18 ARG CG C 24.462 0.2 1 79 . 18 ARG HA H 5.043 0.02 1 80 . 18 ARG HB2 H 2.005 0.02 2 81 . 18 ARG HD2 H 3.512 0.02 1 82 . 18 ARG HD3 H 3.113 0.02 1 83 . 18 ARG HG2 H 1.688 0.02 2 84 . 18 ARG H H 6.034 0.02 1 85 . 18 ARG N N 122.374 0.2 1 86 . 19 PHE CA C 52.58 0.2 1 87 . 19 PHE CB C 41.083 0.2 1 88 . 19 PHE HA H 6.158 0.02 1 89 . 19 PHE HB2 H 3.273 0.02 1 90 . 19 PHE HB3 H 2.931 0.02 1 91 . 19 PHE H H 9.364 0.02 1 92 . 19 PHE N N 120.976 0.2 1 93 . 20 LEU CA C 49.614 0.2 1 94 . 20 LEU CB C 44.022 0.2 1 95 . 20 LEU CD1 C 22.672 0.2 1 96 . 20 LEU CD2 C 19.357 0.2 1 97 . 20 LEU CG C 23.831 0.2 1 98 . 20 LEU HA H 5.253 0.02 1 99 . 20 LEU HB2 H 1.748 0.02 1 100 . 20 LEU HB3 H 1.236 0.02 1 101 . 20 LEU HD1 H 0.525 0.02 2 102 . 20 LEU HD2 H 0.126 0.02 2 103 . 20 LEU HG H 1.055 0.02 1 104 . 20 LEU H H 8.939 0.02 1 105 . 20 LEU N N 124.009 0.2 1 106 . 21 ILE CA C 58.363 0.2 1 107 . 21 ILE CB C 34.718 0.2 1 108 . 21 ILE H H 9.475 0.02 1 109 . 21 ILE N N 127.478 0.2 1 110 . 22 THR CA C 55.240 0.2 1 111 . 22 THR HA H 4.972 0.02 1 112 . 22 THR HG2 H 1.274 0.02 1 113 . 22 THR H H 8.006 0.02 1 114 . 22 THR N N 120.782 0.2 1 115 . 23 HIS CA C 51.776 0.2 1 116 . 23 HIS CB C 28.649 0.2 1 117 . 23 HIS HA H 4.349 0.02 1 118 . 23 HIS HB2 H 3.278 0.02 1 119 . 23 HIS HB3 H 2.968 0.02 1 120 . 23 HIS H H 8.527 0.02 1 121 . 23 HIS N N 119.035 0.2 1 122 . 24 ASN H H 8.66 0.02 1 123 . 24 ASN N N 120.307 0.2 1 124 . 30 LEU CA C 54.981 0.2 1 125 . 30 LEU CB C 39.4 0.2 1 126 . 30 LEU CD1 C 22.126 0.2 4 127 . 30 LEU HA H 4.059 0.02 1 128 . 30 LEU HB2 H 1.911 0.02 2 129 . 30 LEU HD1 H 0.982 0.02 2 130 . 30 LEU HD2 H 0.919 0.02 2 131 . 30 LEU HG H 1.798 0.02 1 132 . 30 LEU H H 7.505 0.02 1 133 . 30 LEU N N 124.61 0.2 1 134 . 31 ASN CA C 54.467 0.2 1 135 . 31 ASN CB C 34.104 0.2 1 136 . 31 ASN HA H 4.487 0.02 1 137 . 31 ASN HB2 H 2.97 0.02 2 138 . 31 ASN H H 8.798 0.02 1 139 . 31 ASN N N 116.2 0.2 1 140 . 32 LYS CA C 55.277 0.2 1 141 . 32 LYS CB C 29.066 0.2 1 142 . 32 LYS HA H 4.281 0.02 1 143 . 32 LYS HB2 H 2.058 0.02 2 144 . 32 LYS HD2 H 1.811 0.02 2 145 . 32 LYS HE2 H 3.131 0.02 2 146 . 32 LYS HG2 H 1.653 0.02 2 147 . 32 LYS H H 7.83 0.02 1 148 . 32 LYS N N 121.106 0.2 1 149 . 33 PHE CA C 57.614 0.2 1 150 . 33 PHE CB C 36.836 0.2 1 151 . 33 PHE HA H 4.542 0.02 1 152 . 33 PHE HB2 H 3.43 0.02 1 153 . 33 PHE HB3 H 3.225 0.02 1 154 . 33 PHE H H 8.15 0.02 1 155 . 33 PHE N N 122.772 0.2 1 156 . 34 ILE CA C 62.855 0.2 1 157 . 34 ILE CB C 35.213 0.2 1 158 . 34 ILE CD1 C 11.004 0.2 1 159 . 34 ILE HA H 3.389 0.02 1 160 . 34 ILE HB H 2.093 0.02 1 161 . 34 ILE HD1 H 0.95 0.02 1 162 . 34 ILE HG12 H 0.98 0.02 4 163 . 34 ILE H H 8.711 0.02 1 164 . 34 ILE N N 118.857 0.2 1 165 . 35 GLU CA C 56.841 0.2 1 166 . 35 GLU CB C 27.016 0.2 1 167 . 35 GLU CG C 33.482 0.2 1 168 . 35 GLU HA H 3.999 0.02 1 169 . 35 GLU HB2 H 2.323 0.02 2 170 . 35 GLU HG2 H 2.549 0.02 2 171 . 35 GLU H H 7.788 0.02 1 172 . 35 GLU N N 118.373 0.2 1 173 . 36 GLU CA C 56.706 0.2 1 174 . 36 GLU CB C 27.563 0.2 1 175 . 36 GLU HA H 4.175 0.02 1 176 . 36 GLU HB2 H 2.335 0.02 2 177 . 36 GLU HG2 H 2.545 0.02 2 178 . 36 GLU H H 7.975 0.02 1 179 . 36 GLU N N 121.004 0.2 1 180 . 37 LEU CA C 59.889 0.2 1 181 . 37 LEU HA H 4.231 0.02 1 182 . 37 LEU H H 8.259 0.02 1 183 . 37 LEU N N 118.006 0.2 1 184 . 38 LYS CA C 56.828 0.2 1 185 . 38 LYS CB C 29.332 0.2 1 186 . 38 LYS HA H 4.265 0.02 1 187 . 38 LYS HB2 H 1.982 0.02 2 188 . 38 LYS HD2 H 1.795 0.02 2 189 . 38 LYS HE2 H 3.072 0.02 2 190 . 38 LYS HG2 H 1.633 0.02 2 191 . 38 LYS H H 8.239 0.02 1 192 . 38 LYS N N 122.236 0.2 1 193 . 39 LYS CA C 56.374 0.2 1 194 . 39 LYS CB C 28.994 0.2 1 195 . 39 LYS HA H 4.087 0.02 1 196 . 39 LYS HB2 H 2.014 0.02 2 197 . 39 LYS HD2 H 1.676 0.02 1 198 . 39 LYS HD3 H 1.647 0.02 1 199 . 39 LYS HE2 H 2.928 0.02 2 200 . 39 LYS HG2 H 1.498 0.02 1 201 . 39 LYS HG3 H 1.187 0.02 1 202 . 39 LYS H H 7.98 0.02 1 203 . 39 LYS N N 122.226 0.2 1 204 . 40 TYR CA C 56.643 0.2 1 205 . 40 TYR CB C 37.366 0.2 1 206 . 40 TYR HA H 4.591 0.02 1 207 . 40 TYR HB2 H 3.421 0.02 1 208 . 40 TYR HB3 H 2.806 0.02 1 209 . 40 TYR H H 7.538 0.02 1 210 . 40 TYR N N 114.618 0.2 1 211 . 41 GLY CA C 43.987 0.2 1 212 . 41 GLY HA2 H 4.139 0.02 1 213 . 41 GLY HA3 H 4.062 0.02 1 214 . 41 GLY H H 8.067 0.02 1 215 . 41 GLY N N 109.65 0.2 1 216 . 42 VAL CA C 59.266 0.2 1 217 . 42 VAL CB C 29.474 0.2 1 218 . 42 VAL HA H 4.593 0.02 1 219 . 42 VAL HB H 1.986 0.02 1 220 . 42 VAL HG1 H 1.087 0.02 4 221 . 42 VAL H H 8.027 0.02 1 222 . 42 VAL N N 120.364 0.2 1 223 . 43 THR CA C 58.111 0.2 1 224 . 43 THR CB C 67.257 0.2 1 225 . 43 THR CG2 C 19.842 0.2 1 226 . 43 THR HA H 4.809 0.02 1 227 . 43 THR HB H 2.522 0.02 1 228 . 43 THR HG2 H 1.371 0.02 1 229 . 43 THR H H 7.953 0.02 1 230 . 43 THR N N 112.388 0.2 1 231 . 44 THR CA C 59.382 0.2 1 232 . 44 THR CB C 70.766 0.2 1 233 . 44 THR HA H 5.486 0.02 1 234 . 44 THR HB H 3.882 0.02 1 235 . 44 THR HG2 H 1.241 0.02 1 236 . 44 THR H H 7.533 0.02 1 237 . 44 THR N N 120.257 0.2 1 238 . 45 ILE CA C 56.357 0.2 1 239 . 45 ILE CB C 39.91 0.2 1 240 . 45 ILE HA H 5.077 0.02 1 241 . 45 ILE HB H 1.588 0.02 1 242 . 45 ILE HD1 H 1.142 0.02 1 243 . 45 ILE HG2 H 0.938 0.02 4 244 . 45 ILE HG12 H 1.79 0.02 4 245 . 45 ILE H H 9.45 0.02 1 246 . 45 ILE N N 127.146 0.2 1 247 . 46 VAL CA C 58.281 0.2 1 248 . 46 VAL CB C 34.908 0.2 1 249 . 46 VAL HA H 4.641 0.02 1 250 . 46 VAL HB H 2.126 0.02 1 251 . 46 VAL HG1 H 0.89 0.02 2 252 . 46 VAL HG2 H 0.737 0.02 2 253 . 46 VAL H H 9.332 0.02 1 254 . 46 VAL N N 127.258 0.2 1 255 . 47 ARG CA C 53.664 0.2 1 256 . 47 ARG CB C 27.035 0.2 1 257 . 47 ARG CD C 47.19 0.2 1 258 . 47 ARG CG C 24.101 0.2 1 259 . 47 ARG HA H 4.325 0.02 1 260 . 47 ARG HB2 H 1.958 0.02 1 261 . 47 ARG HB3 H 1.661 0.02 1 262 . 47 ARG HD2 H 3.782 0.02 1 263 . 47 ARG HD3 H 3.679 0.02 1 264 . 47 ARG HG2 H 2.133 0.02 1 265 . 47 ARG HG3 H 1.981 0.02 1 266 . 47 ARG H H 9.051 0.02 1 267 . 47 ARG N N 126.802 0.2 1 268 . 48 VAL CA C 57.449 0.2 1 269 . 48 VAL CB C 28.073 0.2 1 270 . 48 VAL HA H 4.011 0.02 1 271 . 48 VAL HB H 2.697 0.02 1 272 . 48 VAL HG1 H 1.005 0.02 2 273 . 48 VAL HG2 H 0.772 0.02 2 274 . 48 VAL H H 7.662 0.02 1 275 . 48 VAL N N 112.816 0.2 1 276 . 49 CYS CA C 52.657 0.2 1 277 . 49 CYS CB C 35.209 0.2 1 278 . 49 CYS HA H 4.951 0.02 1 279 . 49 CYS H H 8.175 0.02 1 280 . 49 CYS N N 121.694 0.2 1 281 . 50 GLU H H 8.566 0.02 1 282 . 50 GLU N N 127.376 0.2 1 283 . 50 GLU HA H 4.141 0.02 1 284 . 50 GLU HB2 H 2.366 0.02 2 285 . 50 GLU HG2 H 2.319 0.02 2 286 . 51 ALA CA C 48.606 0.2 1 287 . 51 ALA CB C 15.933 0.2 1 288 . 51 ALA HA H 4.298 0.02 1 289 . 51 ALA HB H 1.394 0.02 1 290 . 51 ALA H H 8.56 0.02 1 291 . 51 ALA N N 127.412 0.2 1 292 . 52 THR CA C 58.797 0.2 1 293 . 52 THR CB C 66.866 0.2 1 294 . 52 THR HA H 4.735 0.02 1 295 . 52 THR HG2 H 1.159 0.02 1 296 . 52 THR H H 8.876 0.02 1 297 . 52 THR N N 112.802 0.2 1 298 . 53 TYR CA C 52.267 0.2 1 299 . 53 TYR CB C 36.533 0.2 1 300 . 53 TYR HA H 5.059 0.02 1 301 . 53 TYR HB2 H 3.005 0.02 1 302 . 53 TYR HB3 H 2.885 0.02 1 303 . 53 TYR H H 6.951 0.02 1 304 . 53 TYR N N 115.824 0.2 1 305 . 54 ASP CA C 51.435 0.2 1 306 . 54 ASP CB C 39.004 0.2 1 307 . 54 ASP HA H 4.803 0.02 1 308 . 54 ASP H H 9.153 0.02 1 309 . 54 ASP N N 123.698 0.2 1 310 . 55 THR CA C 60.23 0.2 1 311 . 55 THR CB C 66.149 0.2 1 312 . 55 THR HA H 4.345 0.02 1 313 . 55 THR H H 8.779 0.02 1 314 . 55 THR N N 115.637 0.2 1 315 . 56 THR CA C 64.474 0.2 1 316 . 56 THR CB C 65.965 0.2 1 317 . 56 THR HA H 4.027 0.02 1 318 . 56 THR HG2 H 1.404 0.02 1 319 . 56 THR H H 8.702 0.02 1 320 . 56 THR N N 120.86 0.2 1 321 . 57 LEU CA C 55.006 0.2 1 322 . 57 LEU CB C 39.245 0.2 1 323 . 57 LEU HA H 4.202 0.02 1 324 . 57 LEU H H 9.007 0.02 1 325 . 57 LEU N N 120.274 0.2 1 326 . 58 VAL CA C 62.533 0.2 1 327 . 58 VAL CB C 29.62 0.2 1 328 . 58 VAL HA H 3.7 0.02 1 329 . 58 VAL HB H 2.421 0.02 1 330 . 58 VAL HG1 H 1.262 0.02 2 331 . 58 VAL HG2 H 1.099 0.02 2 332 . 58 VAL H H 7.153 0.02 1 333 . 58 VAL N N 117.107 0.2 1 334 . 59 GLU CA C 55.968 0.2 1 335 . 59 GLU CB C 26.133 0.2 1 336 . 59 GLU CG C 32.775 0.2 1 337 . 59 GLU HA H 4.589 0.02 1 338 . 59 GLU HB2 H 2.307 0.02 1 339 . 59 GLU HB3 H 2.17 0.02 1 340 . 59 GLU HG2 H 2.66 0.02 2 341 . 59 GLU H H 8.581 0.02 1 342 . 59 GLU N N 119.23 0.2 1 343 . 60 LYS CA C 55.978 0.2 1 344 . 60 LYS CB C 29.576 0.2 1 345 . 60 LYS HA H 4.262 0.02 1 346 . 60 LYS HB2 H 2.142 0.02 2 347 . 60 LYS H H 8.063 0.02 1 348 . 60 LYS N N 120.487 0.2 1 349 . 61 GLU CA C 52.493 0.2 1 350 . 61 GLU CB C 26.169 0.2 1 351 . 61 GLU HA H 4.548 0.02 1 352 . 61 GLU HB2 H 2.47 0.02 4 353 . 61 GLU H H 7.49 0.02 1 354 . 61 GLU N N 116.581 0.2 1 355 . 62 GLY CA C 42.451 0.2 1 356 . 62 GLY HA2 H 4.265 0.02 1 357 . 62 GLY HA3 H 3.783 0.02 1 358 . 62 GLY H H 8.057 0.02 1 359 . 62 GLY N N 106.703 0.2 1 360 . 63 ILE CA C 57.115 0.2 1 361 . 63 ILE CB C 35.775 0.2 1 362 . 63 ILE CD1 C 11.326 0.2 1 363 . 63 ILE CG2 C 14.927 0.2 1 364 . 63 ILE HA H 4.203 0.02 1 365 . 63 ILE HB H 1.669 0.02 1 366 . 63 ILE HD1 H 0.794 0.02 1 367 . 63 ILE HG12 H 1.072 0.02 1 368 . 63 ILE HG13 H 1.451 0.02 1 369 . 63 ILE HG2 H 0.575 0.02 1 370 . 63 ILE H H 7.235 0.02 1 371 . 63 ILE N N 121.629 0.2 1 372 . 64 HIS CA C 51.515 0.2 1 373 . 64 HIS CB C 27.5 0.2 1 374 . 64 HIS HA H 5.195 0.02 1 375 . 64 HIS HB2 H 3.362 0.02 1 376 . 64 HIS HB3 H 3.303 0.02 1 377 . 64 HIS H H 7.666 0.02 1 378 . 64 HIS N N 123.523 0.2 1 379 . 65 VAL CA C 58.425 0.2 1 380 . 65 VAL CB C 30.081 0.2 1 381 . 65 VAL HA H 4.923 0.02 1 382 . 65 VAL HB H 2.102 0.02 1 383 . 65 VAL HG1 H 1.113 0.02 2 384 . 65 VAL HG2 H 0.842 0.02 2 385 . 65 VAL H H 8.715 0.02 1 386 . 65 VAL N N 125.144 0.2 1 387 . 66 LEU CA C 50.146 0.2 1 388 . 66 LEU CB C 40.841 0.2 1 389 . 66 LEU CD1 C 22.447 0.2 1 390 . 66 LEU CD2 C 20.537 0.2 1 391 . 66 LEU HA H 4.481 0.02 1 392 . 66 LEU HB2 H 1.167 0.02 1 393 . 66 LEU HB3 H 1.261 0.02 1 394 . 66 LEU HD1 H 0.663 0.02 2 395 . 66 LEU HD2 H 0.888 0.02 2 396 . 66 LEU H H 9.21 0.02 1 397 . 66 LEU N N 130.421 0.2 1 398 . 67 ASP CA C 51.341 0.2 1 399 . 67 ASP CB C 39.098 0.2 1 400 . 67 ASP HA H 5.341 0.02 1 401 . 67 ASP HB2 H 2.596 0.02 2 402 . 67 ASP H H 8.464 0.02 1 403 . 67 ASP N N 123.481 0.2 1 404 . 68 TRP CA C 48.613 0.2 1 405 . 68 TRP CB C 28.045 0.2 1 406 . 68 TRP HA H 5.461 0.02 1 407 . 68 TRP HB2 H 3.316 0.02 1 408 . 68 TRP HB3 H 3.203 0.02 1 409 . 68 TRP H H 8.216 0.02 1 410 . 68 TRP N N 126.638 0.2 1 411 . 69 PRO CA C 60.689 0.2 1 412 . 69 PRO CB C 28.894 0.2 1 413 . 69 PRO CD C 47.68 0.2 1 414 . 69 PRO CG C 23.827 0.2 1 415 . 69 PRO HA H 4.582 0.02 1 416 . 69 PRO HB2 H 2.389 0.02 2 417 . 69 PRO HD2 H 3.904 0.02 2 418 . 69 PRO HG2 H 2.149 0.02 1 419 . 69 PRO HG3 H 2.063 0.02 1 420 . 70 PHE CA C 50.105 0.2 1 421 . 70 PHE CB C 34.322 0.2 1 422 . 70 PHE HA H 4.721 0.02 1 423 . 70 PHE HB2 H 2.859 0.02 1 424 . 70 PHE HB3 H 2.744 0.02 1 425 . 70 PHE H H 8.409 0.02 1 426 . 70 PHE N N 119.878 0.2 1 427 . 71 ASP CA C 51.312 0.2 1 428 . 71 ASP CB C 39.477 0.2 1 429 . 71 ASP HA H 4.637 0.02 1 430 . 71 ASP HB2 H 2.829 0.02 1 431 . 71 ASP HB3 H 2.738 0.02 1 432 . 71 ASP H H 8.263 0.02 1 433 . 71 ASP N N 123.135 0.2 1 434 . 72 ASP CA C 52.676 0.2 1 435 . 72 ASP CB C 38.321 0.2 1 436 . 72 ASP HA H 4.537 0.02 1 437 . 72 ASP HB2 H 2.736 0.02 2 438 . 72 ASP H H 8.485 0.02 1 439 . 72 ASP N N 120.415 0.2 1 440 . 73 GLY CA C 42.665 0.2 1 441 . 73 GLY HA2 H 4.033 0.02 1 442 . 73 GLY HA3 H 4.012 0.02 1 443 . 73 GLY H H 8.686 0.02 1 444 . 73 GLY N N 108.564 0.2 1 445 . 74 ALA CA C 46.685 0.2 1 446 . 74 ALA HA H 4.829 0.02 1 447 . 74 ALA HB H 1.494 0.02 1 448 . 74 ALA H H 7.715 0.02 1 449 . 74 ALA N N 123.865 0.2 1 450 . 76 PRO CA C 59.519 0.2 1 451 . 76 PRO CB C 27.663 0.2 1 452 . 76 PRO CD C 46.03 0.2 1 453 . 76 PRO CG C 23.276 0.2 1 454 . 76 PRO HA H 4.144 0.02 1 455 . 76 PRO HB2 H 1.704 0.02 2 456 . 76 PRO HD2 H 3.325 0.02 1 457 . 76 PRO HD3 H 3.115 0.02 1 458 . 76 PRO HG2 H 1.3 0.02 1 459 . 76 PRO HG3 H 1.389 0.02 1 460 . 77 SER CA C 55.796 0.2 1 461 . 77 SER CB C 60.837 0.2 1 462 . 77 SER HA H 4.572 0.02 1 463 . 77 SER HB2 H 4.029 0.02 2 464 . 77 SER H H 7.771 0.02 1 465 . 77 SER N N 116.794 0.2 1 466 . 78 ASN CA C 52.776 0.2 1 467 . 78 ASN HA H 4.519 0.02 1 468 . 78 ASN HB2 H 3.012 0.02 1 469 . 78 ASN HB3 H 2.909 0.02 1 470 . 78 ASN H H 8.416 0.02 1 471 . 78 ASN N N 122.287 0.2 1 472 . 79 GLN CA C 55.918 0.2 1 473 . 79 GLN CB C 25.302 0.2 1 474 . 79 GLN CG C 30.185 0.2 1 475 . 79 GLN HA H 4.086 0.02 1 476 . 79 GLN HB2 H 2.218 0.02 2 477 . 79 GLN HE21 H 7.906 0.02 1 478 . 79 GLN HE22 H 6.781 0.02 1 479 . 79 GLN HG2 H 2.412 0.02 2 480 . 79 GLN H H 8.211 0.02 1 481 . 79 GLN N N 118.627 0.2 1 482 . 79 GLN NE2 N 114.908 0.2 1 483 . 80 ILE CA C 61.081 0.2 1 484 . 80 ILE CB C 33.918 0.2 1 485 . 80 ILE CG2 C 13.409 0.2 1 486 . 80 ILE HA H 3.588 0.02 1 487 . 80 ILE HB H 1.824 0.02 1 488 . 80 ILE HG12 H 1.51 0.02 2 489 . 80 ILE HG2 H 0.803 0.02 1 490 . 80 ILE H H 7.382 0.02 1 491 . 80 ILE N N 119.205 0.2 1 492 . 81 VAL CA C 65.386 0.2 1 493 . 81 VAL CB C 28.459 0.2 1 494 . 81 VAL CG1 C 20.034 0.2 1 495 . 81 VAL CG2 C 19.004 0.2 1 496 . 81 VAL HA H 3.484 0.02 1 497 . 81 VAL HB H 2.281 0.02 2 498 . 81 VAL HG1 H 1.055 0.02 2 499 . 81 VAL HG2 H 1.218 0.02 2 500 . 81 VAL H H 7.858 0.02 1 501 . 81 VAL N N 119.321 0.2 1 502 . 82 ASP CA C 54.409 0.2 1 503 . 82 ASP CB C 33.669 0.2 1 504 . 82 ASP HA H 4.507 0.02 1 505 . 82 ASP HB2 H 2.861 0.02 1 506 . 82 ASP HB3 H 2.797 0.02 1 507 . 82 ASP H H 8.349 0.02 1 508 . 82 ASP N N 119.209 0.2 1 509 . 83 ASP CA C 54.564 0.2 1 510 . 83 ASP CB C 36.151 0.2 1 511 . 83 ASP HA H 4.466 0.02 1 512 . 83 ASP HB2 H 2.321 0.02 2 513 . 83 ASP H H 8.54 0.02 1 514 . 83 ASP N N 122.44 0.2 1 515 . 84 TRP H H 9.02 0.02 1 516 . 84 TRP N N 124.251 0.2 1 517 . 85 LEU CA C 54.864 0.2 1 518 . 85 LEU CB C 37.829 0.2 1 519 . 85 LEU CD1 C 23.675 0.2 1 520 . 85 LEU CD2 C 18.754 0.2 1 521 . 85 LEU HA H 3.912 0.02 1 522 . 85 LEU HB2 H 2.188 0.02 1 523 . 85 LEU HB3 H 1.42 0.02 1 524 . 85 LEU HD1 H 1.144 0.02 2 525 . 85 LEU HD2 H 0.964 0.02 2 526 . 85 LEU HG H 2.445 0.02 1 527 . 85 LEU H H 8.02 0.02 1 528 . 86 SER CA C 59.096 0.2 1 529 . 86 SER CB C 59.577 0.2 1 530 . 86 SER HA H 5.073 0.02 1 531 . 86 SER HB2 H 3.978 0.02 1 532 . 86 SER HB3 H 3.824 0.02 1 533 . 86 SER H H 8.343 0.02 1 534 . 86 SER N N 115.053 0.2 1 535 . 87 LEU CA C 55.519 0.2 1 536 . 87 LEU CB C 39.363 0.2 1 537 . 87 LEU CD1 C 20.855 0.2 2 538 . 87 LEU HA H 4.212 0.02 1 539 . 87 LEU HD1 H 1.044 0.02 4 540 . 87 LEU H H 8.07 0.02 1 541 . 87 LEU N N 123.656 0.2 1 542 . 88 VAL CA C 63.005 0.2 1 543 . 88 VAL CB C 28.854 0.2 1 544 . 88 VAL CG1 C 19.136 0.2 1 545 . 88 VAL CG2 C 18.649 0.2 1 546 . 88 VAL HA H 3.088 0.02 1 547 . 88 VAL HB H 2.089 0.02 1 548 . 88 VAL HG1 H 1.117 0.02 2 549 . 88 VAL HG2 H 0.388 0.02 2 550 . 88 VAL H H 8.208 0.02 1 551 . 88 VAL N N 116.999 0.2 1 552 . 89 LYS HG2 H 1.724 0.02 4 553 . 89 LYS CA C 56.755 0.2 1 554 . 89 LYS CB C 30.009 0.2 1 555 . 89 LYS HA H 4.073 0.02 1 556 . 89 LYS HB2 H 2.047 0.02 2 557 . 89 LYS HE2 H 3.089 0.02 2 558 . 89 LYS H H 7.797 0.02 1 559 . 89 LYS N N 117.527 0.2 1 560 . 90 ILE CA C 61.432 0.2 1 561 . 90 ILE CB C 35.709 0.2 1 562 . 90 ILE HA H 3.99 0.02 1 563 . 90 ILE H H 8.029 0.02 1 564 . 90 ILE N N 116.641 0.2 1 565 . 91 LYS CA C 55.325 0.2 1 566 . 91 LYS CB C 26.98 0.2 1 567 . 91 LYS CD C 23.74 0.2 1 568 . 91 LYS CG C 20.82 0.2 1 569 . 91 LYS HA H 4.017 0.02 1 570 . 91 LYS HB2 H 1.549 0.02 1 571 . 91 LYS HB3 H 1.303 0.02 1 572 . 91 LYS HD2 H 1.691 0.02 2 573 . 91 LYS HE2 H 2.985 0.02 1 574 . 91 LYS HE3 H 2.858 0.02 1 575 . 91 LYS HG2 H 1.495 0.02 1 576 . 91 LYS HG3 H 1.164 0.02 1 577 . 91 LYS H H 8.919 0.02 1 578 . 91 LYS N N 120.14 0.2 1 579 . 92 PHE CA C 55.96 0.2 1 580 . 92 PHE CB C 34.197 0.2 1 581 . 92 PHE HA H 4.706 0.02 1 582 . 92 PHE HB2 H 3.323 0.02 1 583 . 92 PHE HB3 H 2.968 0.02 1 584 . 92 PHE H H 7.24 0.02 1 585 . 92 PHE N N 111.521 0.2 1 586 . 93 ARG CA C 55.078 0.2 1 587 . 93 ARG CB C 27.962 0.2 1 588 . 93 ARG HA H 4.495 0.02 1 589 . 93 ARG HB2 H 2.155 0.02 2 590 . 93 ARG HD2 H 3.393 0.02 1 591 . 93 ARG HD3 H 3.338 0.02 1 592 . 93 ARG HG2 H 1.909 0.02 1 593 . 93 ARG HG3 H 1.775 0.02 1 594 . 93 ARG H H 7.407 0.02 1 595 . 93 ARG N N 118.382 0.2 1 596 . 94 GLU CA C 55.499 0.2 1 597 . 94 GLU CB C 27.798 0.2 1 598 . 94 GLU HA H 4.292 0.02 1 599 . 94 GLU HB2 H 2.241 0.02 2 600 . 94 GLU HG2 H 2.598 0.02 1 601 . 94 GLU HG3 H 2.498 0.02 1 602 . 94 GLU H H 8.637 0.02 1 603 . 94 GLU N N 117.495 0.2 1 604 . 95 GLU HA H 3.655 0.02 1 605 . 95 GLU H H 8.114 0.02 1 606 . 95 GLU N N 119.474 0.2 1 607 . 96 PRO CA C 60.869 0.2 1 608 . 96 PRO CB C 28.62 0.2 1 609 . 96 PRO CD C 46.816 0.2 1 610 . 96 PRO CG C 24.461 0.2 1 611 . 96 PRO HA H 4.684 0.02 1 612 . 96 PRO HB2 H 2.46 0.02 1 613 . 96 PRO HB3 H 2.369 0.02 1 614 . 96 PRO HD2 H 3.659 0.02 1 615 . 96 PRO HD3 H 3.529 0.02 1 616 . 96 PRO HG2 H 2.236 0.02 1 617 . 96 PRO HG3 H 2.139 0.02 1 618 . 97 GLY CA C 42.51 0.2 1 619 . 97 GLY HA2 H 4.435 0.02 1 620 . 97 GLY HA3 H 3.962 0.02 1 621 . 97 GLY H H 9.158 0.02 1 622 . 97 GLY N N 112.365 0.2 1 623 . 98 CYS CA C 55.112 0.2 1 624 . 98 CYS CB C 26.499 0.2 1 625 . 98 CYS HA H 4.963 0.02 1 626 . 98 CYS HB2 H 3.359 0.02 1 627 . 98 CYS HB3 H 3.284 0.02 1 628 . 98 CYS H H 8.24 0.02 1 629 . 98 CYS N N 117.596 0.2 1 630 . 99 CYS CA C 52.652 0.2 1 631 . 99 CYS HA H 5.414 0.02 1 632 . 99 CYS HB2 H 2.888 0.02 1 633 . 99 CYS HB3 H 2.497 0.02 1 634 . 99 CYS H H 7.394 0.02 1 635 . 99 CYS N N 117.151 0.2 1 636 . 100 ILE CA C 57.985 0.2 1 637 . 100 ILE CB C 37.899 0.2 1 638 . 100 ILE CD1 C 10.818 0.2 1 639 . 100 ILE HA H 4.88 0.02 1 640 . 100 ILE HB H 2.143 0.02 1 641 . 100 ILE HD1 H 0.465 0.02 1 642 . 100 ILE HG2 H 1.22 0.02 1 643 . 100 ILE H H 8.39 0.02 1 644 . 100 ILE N N 128.25 0.2 1 645 . 101 ALA CA C 46.678 0.2 1 646 . 101 ALA CB C 19.428 0.2 1 647 . 101 ALA HA H 6.122 0.02 1 648 . 101 ALA HB H 1.595 0.02 1 649 . 101 ALA H H 9.28 0.02 1 650 . 101 ALA N N 129.823 0.2 1 651 . 102 VAL CA C 56.369 0.2 1 652 . 102 VAL CB C 32.812 0.2 1 653 . 102 VAL CG1 C 18.998 0.2 1 654 . 102 VAL CG2 C 18.088 0.2 1 655 . 102 VAL HA H 5.615 0.02 1 656 . 102 VAL HB H 1.953 0.02 1 657 . 102 VAL HG1 H 1.089 0.02 4 658 . 102 VAL H H 9.059 0.02 1 659 . 102 VAL N N 118.496 0.2 1 660 . 103 HIS CA C 52.551 0.2 1 661 . 103 HIS CB C 30.356 0.2 1 662 . 103 HIS H H 8.314 0.02 1 663 . 103 HIS N N 116.91 0.2 1 664 . 104 CYS CA C 54.84 0.2 1 665 . 104 CYS CB C 36.36 0.2 1 666 . 104 CYS H H 8.543 0.02 1 667 . 104 CYS N N 121.882 0.2 1 668 . 106 ALA CA C 50.306 0.2 1 669 . 106 ALA CB C 15.055 0.2 1 670 . 107 GLY H H 8.338 0.02 1 671 . 107 GLY N N 108.938 0.2 1 672 . 112 PRO CA C 62.585 0.2 1 673 . 112 PRO CB C 28.563 0.2 1 674 . 112 PRO CG C 26.035 0.2 1 675 . 112 PRO HA H 4.102 0.02 1 676 . 112 PRO HB2 H 1.718 0.02 1 677 . 112 PRO HB3 H 1.572 0.02 1 678 . 112 PRO HD2 H 3.761 0.02 1 679 . 112 PRO HD3 H 3.507 0.02 1 680 . 112 PRO HG2 H 2.08 0.02 2 681 . 113 VAL CA C 64.203 0.2 1 682 . 113 VAL CB C 28.956 0.2 1 683 . 113 VAL CG2 C 17.672 0.2 1 684 . 113 VAL HA H 3.788 0.02 1 685 . 113 VAL HB H 2.516 0.02 1 686 . 113 VAL HG1 H 1.371 0.02 2 687 . 113 VAL HG2 H 1.134 0.02 2 688 . 113 VAL H H 7.372 0.02 1 689 . 113 VAL N N 116.247 0.2 1 690 . 114 LEU CA C 54.684 0.2 1 691 . 114 LEU CB C 36.024 0.2 1 692 . 114 LEU CD1 C 21.525 0.2 1 693 . 114 LEU CD2 C 18.104 0.2 1 694 . 114 LEU HA H 3.765 0.02 1 695 . 114 LEU HB2 H 1.045 0.02 1 696 . 114 LEU HB3 H -0.093 0.02 1 697 . 114 LEU HD1 H 0.325 0.02 2 698 . 114 LEU HD2 H 0.187 0.02 2 699 . 114 LEU HG H 1.258 0.02 1 700 . 114 LEU H H 7.543 0.02 1 701 . 114 LEU N N 116.052 0.2 1 702 . 115 VAL CA C 64.125 0.2 1 703 . 115 VAL CG2 C 17.845 0.2 1 704 . 115 VAL HA H 3.141 0.02 1 705 . 115 VAL HB H 2.028 0.02 1 706 . 115 VAL HG2 H 0.829 0.02 2 707 . 115 VAL H H 6.898 0.02 1 708 . 115 VAL N N 118.04 0.2 1 709 . 116 ALA CA C 52.977 0.2 1 710 . 116 ALA CB C 15.29 0.2 1 711 . 116 ALA HA H 3.982 0.02 1 712 . 116 ALA HB H 1.599 0.02 1 713 . 116 ALA H H 8.416 0.02 1 714 . 116 ALA N N 120.622 0.2 1 715 . 117 LEU CA C 55.64 0.2 1 716 . 117 LEU CB C 39.798 0.2 1 717 . 117 LEU CD1 C 22.993 0.2 1 718 . 117 LEU CD2 C 18.793 0.2 1 719 . 117 LEU HA H 3.946 0.02 1 720 . 117 LEU HB2 H 2.129 0.02 1 721 . 117 LEU HB3 H 1.394 0.02 1 722 . 117 LEU HD1 H 0.88 0.02 2 723 . 117 LEU HD2 H 0.258 0.02 2 724 . 117 LEU HG H 1.847 0.02 1 725 . 117 LEU H H 8.152 0.02 1 726 . 117 LEU N N 115.562 0.2 1 727 . 118 ALA CA C 52.468 0.2 1 728 . 118 ALA CB C 16.06 0.2 1 729 . 118 ALA HA H 4.211 0.02 1 730 . 118 ALA HB H 1.86 0.02 1 731 . 118 ALA H H 7.732 0.02 1 732 . 118 ALA N N 119.165 0.2 1 733 . 119 LEU CA C 54.293 0.2 1 734 . 119 LEU CB C 35.858 0.2 1 735 . 119 LEU CD1 C 22.011 0.2 1 736 . 119 LEU CD2 C 19.774 0.2 1 737 . 119 LEU CG C 23.514 0.2 1 738 . 119 LEU HA H 4.001 0.02 1 739 . 119 LEU HB2 H 2.053 0.02 1 740 . 119 LEU HB3 H 1.583 0.02 1 741 . 119 LEU HD1 H 1.027 0.02 2 742 . 119 LEU HD2 H 0.856 0.02 2 743 . 119 LEU HG H 2.096 0.02 1 744 . 119 LEU H H 7.901 0.02 1 745 . 119 LEU N N 117.188 0.2 1 746 . 120 ILE CA C 61.06 0.2 1 747 . 120 ILE CB C 36.47 0.2 1 748 . 120 ILE CD1 C 11.526 0.2 1 749 . 120 ILE CG2 C 13.864 0.2 1 750 . 120 ILE HA H 3.964 0.02 1 751 . 120 ILE HB H 1.806 0.02 1 752 . 120 ILE HD1 H 1.032 0.02 1 753 . 120 ILE HG12 H 1.985 0.02 1 754 . 120 ILE HG13 H 1.887 0.02 1 755 . 120 ILE HG2 H 1.312 0.02 1 756 . 120 ILE H H 8.509 0.02 1 757 . 120 ILE N N 120.903 0.2 1 758 . 121 GLU CA C 56.728 0.2 1 759 . 121 GLU CB C 25.836 0.2 1 760 . 121 GLU CG C 32.83 0.2 1 761 . 121 GLU HA H 4.476 0.02 1 762 . 121 GLU HB2 H 2.738 0.02 4 763 . 121 GLU H H 8.801 0.02 1 764 . 121 GLU N N 121.735 0.2 1 765 . 122 GLY CA C 42.307 0.2 1 766 . 122 GLY HA2 H 4.484 0.02 1 767 . 122 GLY HA3 H 3.727 0.02 1 768 . 122 GLY H H 8.228 0.02 1 769 . 122 GLY N N 106.009 0.2 1 770 . 123 GLY CA C 42.174 0.2 1 771 . 123 GLY HA2 H 4.3 0.02 1 772 . 123 GLY HA3 H 3.796 0.02 1 773 . 123 GLY H H 7.951 0.02 1 774 . 123 GLY N N 107.614 0.2 1 775 . 124 MET CA C 53.923 0.2 1 776 . 124 MET CB C 30.816 0.2 1 777 . 124 MET CG C 29.816 0.2 1 778 . 124 MET HA H 4.49 0.02 1 779 . 124 MET HB2 H 1.625 0.02 1 780 . 124 MET HB3 H 1.49 0.02 1 781 . 124 MET HG2 H 2.422 0.02 1 782 . 124 MET HG3 H 2.273 0.02 1 783 . 124 MET H H 8.598 0.02 1 784 . 124 MET N N 123.528 0.2 1 785 . 125 LYS CA C 53.898 0.2 1 786 . 125 LYS CB C 29.94 0.2 1 787 . 125 LYS CD C 25.869 0.2 1 788 . 125 LYS CG C 21.963 0.2 1 789 . 125 LYS HA H 4.453 0.02 1 790 . 125 LYS HB2 H 2.182 0.02 1 791 . 125 LYS HB3 H 1.953 0.02 1 792 . 125 LYS HD2 H 1.925 0.02 2 793 . 125 LYS HE2 H 3.2 0.02 2 794 . 125 LYS HG2 H 1.785 0.02 2 795 . 125 LYS H H 8.869 0.02 1 796 . 125 LYS N N 123.825 0.2 1 797 . 126 TYR CA C 58.439 0.2 1 798 . 126 TYR CB C 35.067 0.2 1 799 . 126 TYR HA H 4.142 0.02 1 800 . 126 TYR HB2 H 3.381 0.02 1 801 . 126 TYR HB3 H 3.055 0.02 1 802 . 126 TYR H H 9.325 0.02 1 803 . 126 TYR N N 124.369 0.2 1 804 . 127 GLU CA C 57.104 0.2 1 805 . 127 GLU CB C 25.959 0.2 1 806 . 127 GLU CG C 33.577 0.2 1 807 . 127 GLU HA H 3.328 0.02 1 808 . 127 GLU HB2 H 1.918 0.02 1 809 . 127 GLU HB3 H 1.885 0.02 1 810 . 127 GLU HG2 H 2.39 0.02 1 811 . 127 GLU HG3 H 2.194 0.02 1 812 . 127 GLU H H 9.392 0.02 1 813 . 127 GLU N N 118.759 0.2 1 814 . 128 ASP CA C 53.615 0.2 1 815 . 128 ASP CB C 37.358 0.2 1 816 . 128 ASP HA H 4.553 0.02 1 817 . 128 ASP HB3 H 2.802 0.02 1 818 . 128 ASP HB2 H 2.779 0.02 1 819 . 128 ASP H H 6.945 0.02 1 820 . 128 ASP N N 118.507 0.2 1 821 . 129 ALA CA C 52.469 0.2 1 822 . 129 ALA CB C 15.42 0.2 1 823 . 129 ALA HA H 4.325 0.02 1 824 . 129 ALA HB H 1.381 0.02 1 825 . 129 ALA H H 8.464 0.02 1 826 . 129 ALA N N 125.449 0.2 1 827 . 130 VAL CA C 63.346 0.2 1 828 . 130 VAL CB C 28.629 0.2 1 829 . 130 VAL CG1 C 18.753 0.2 1 830 . 130 VAL CG2 C 17.523 0.2 1 831 . 130 VAL HA H 3.622 0.02 1 832 . 130 VAL HB H 1.823 0.02 1 833 . 130 VAL HG1 H 0.544 0.02 2 834 . 130 VAL HG2 H 0.771 0.02 2 835 . 130 VAL H H 8.031 0.02 1 836 . 130 VAL N N 114.914 0.2 1 837 . 131 GLN CA C 55.955 0.2 1 838 . 131 GLN CB C 25.587 0.2 1 839 . 131 GLN CG C 30.467 0.2 1 840 . 131 GLN HA H 4.2 0.02 1 841 . 131 GLN HB2 H 2.345 0.02 2 842 . 131 GLN HG2 H 2.618 0.02 2 843 . 131 GLN H H 7.653 0.02 1 844 . 131 GLN N N 118.882 0.2 1 845 . 132 PHE CA C 57.3 0.2 1 846 . 132 PHE CB C 36.715 0.2 1 847 . 132 PHE HA H 4.46 0.02 1 848 . 132 PHE HB2 H 3.553 0.02 1 849 . 132 PHE HB3 H 3.2 0.02 1 850 . 132 PHE H H 8.587 0.02 1 851 . 132 PHE N N 120.489 0.2 1 852 . 133 ILE CA C 61.812 0.2 1 853 . 133 ILE CB C 35.188 0.2 1 854 . 133 ILE CG2 C 13.661 0.2 1 855 . 133 ILE HA H 3.685 0.02 1 856 . 133 ILE HB H 2.139 0.02 1 857 . 133 ILE HD1 H 1.08 0.02 1 858 . 133 ILE HG12 H 0.628 0.02 2 859 . 133 ILE HG2 H 0.781 0.02 1 860 . 133 ILE H H 7.743 0.02 1 861 . 133 ILE N N 115.817 0.2 1 862 . 134 ARG CA C 56.127 0.2 1 863 . 134 ARG CB C 27.958 0.2 1 864 . 134 ARG CD C 41.171 0.2 1 865 . 134 ARG HA H 4.424 0.02 1 866 . 134 ARG HB2 H 2.032 0.02 4 867 . 134 ARG HD2 H 3.359 0.02 2 868 . 134 ARG H H 8.89 0.02 1 869 . 134 ARG N N 120.08 0.2 1 870 . 135 GLN CA C 54.935 0.2 1 871 . 135 GLN CG C 30.988 0.2 1 872 . 135 GLN HA H 4.168 0.02 1 873 . 135 GLN HB2 H 2.352 0.02 1 874 . 135 GLN HB3 H 2.24 0.02 1 875 . 135 GLN HG2 H 2.668 0.02 2 876 . 135 GLN H H 8.122 0.02 1 877 . 135 GLN N N 116.492 0.2 1 878 . 136 LYS CE C 39.281 0.2 1 879 . 136 LYS HA H 4.447 0.02 1 880 . 136 LYS HE2 H 3.152 0.02 1 881 . 136 LYS HE3 H 2.875 0.02 1 882 . 136 LYS H H 7.485 0.02 1 883 . 136 LYS N N 116.34 0.2 1 884 . 137 ARG H H 8.083 0.02 1 885 . 137 ARG N N 120.671 0.2 1 886 . 139 GLY CA C 42.641 0.2 1 887 . 139 GLY HA2 H 4.199 0.02 1 888 . 139 GLY HA3 H 3.966 0.02 1 889 . 140 ALA CA C 50.947 0.2 1 890 . 140 ALA CB C 16.023 0.2 1 891 . 140 ALA HA H 3.857 0.02 1 892 . 140 ALA HB H 0.927 0.02 1 893 . 140 ALA H H 7.618 0.02 1 894 . 140 ALA N N 120.962 0.2 1 895 . 141 PHE CA C 54.212 0.2 1 896 . 141 PHE CB C 38.552 0.2 1 897 . 141 PHE HA H 5.148 0.02 1 898 . 141 PHE HB2 H 3.234 0.02 2 899 . 141 PHE H H 8.119 0.02 1 900 . 141 PHE N N 110.759 0.2 1 901 . 142 ASN CA C 47.775 0.2 1 902 . 142 ASN CB C 36.273 0.2 1 903 . 142 ASN HA H 5.117 0.02 1 904 . 142 ASN HB2 H 3.022 0.02 1 905 . 142 ASN HB3 H 3.509 0.02 1 906 . 142 ASN H H 8.149 0.02 1 907 . 142 ASN N N 119.245 0.2 1 908 . 146 LEU CA C 55.474 0.2 1 909 . 146 LEU CB C 38.187 0.2 1 910 . 147 LEU CA C 55.083 0.2 1 911 . 147 LEU CB C 39.131 0.2 1 912 . 147 LEU H H 7.72 0.02 1 913 . 147 LEU N N 119.429 0.2 1 914 . 148 TYR CA C 57.652 0.2 1 915 . 148 TYR CB C 34.958 0.2 1 916 . 148 TYR H H 7.557 0.02 1 917 . 148 TYR N N 117.992 0.2 1 918 . 149 LEU CA C 54.221 0.2 1 919 . 149 LEU CB C 39.468 0.2 1 920 . 149 LEU CD1 C 19.831 0.2 1 921 . 149 LEU CD2 C 23.28 0.2 1 922 . 149 LEU HA H 3.806 0.02 1 923 . 149 LEU HB2 H 2.073 0.02 1 924 . 149 LEU HB3 H 1.33 0.02 1 925 . 149 LEU HD1 H 0.88 0.02 2 926 . 149 LEU HD2 H 0.626 0.02 2 927 . 149 LEU H H 8.084 0.02 1 928 . 149 LEU N N 119.481 0.2 1 929 . 150 GLU CA C 55.256 0.2 1 930 . 150 GLU CB C 26.298 0.2 1 931 . 150 GLU CG C 32.756 0.2 1 932 . 150 GLU HA H 2.641 0.02 1 933 . 150 GLU HB2 H 1.708 0.02 2 934 . 150 GLU HG2 H 2.02 0.02 2 935 . 150 GLU H H 8.154 0.02 1 936 . 150 GLU N N 120.197 0.2 1 937 . 151 LYS CA C 52.71 0.2 1 938 . 151 LYS CB C 29.741 0.2 1 939 . 151 LYS CD C 25.292 0.2 1 940 . 151 LYS CG C 21.581 0.2 1 941 . 151 LYS HA H 4.225 0.02 1 942 . 151 LYS HB2 H 1.988 0.02 1 943 . 151 LYS HB3 H 1.853 0.02 1 944 . 151 LYS HD2 H 1.732 0.02 2 945 . 151 LYS HE2 H 3.051 0.02 2 946 . 151 LYS HG2 H 1.715 0.02 2 947 . 151 LYS H H 7.148 0.02 1 948 . 151 LYS N N 114.37 0.2 1 949 . 152 TYR CA C 56.952 0.2 1 950 . 152 TYR CB C 34.889 0.2 1 951 . 152 TYR HA H 4.034 0.02 1 952 . 152 TYR HB2 H 2.943 0.02 1 953 . 152 TYR HB3 H 2.801 0.02 1 954 . 152 TYR H H 7.294 0.02 1 955 . 152 TYR N N 122.987 0.2 1 956 . 153 ARG CA C 48.331 0.2 1 957 . 153 ARG CB C 27.005 0.2 1 958 . 153 ARG HA H 4.843 0.02 1 959 . 153 ARG HB2 H 1.714 0.02 2 960 . 153 ARG HD2 H 3.266 0.02 2 961 . 153 ARG HG2 H 1.645 0.02 2 962 . 153 ARG H H 7.778 0.02 1 963 . 153 ARG N N 130.202 0.2 1 964 . 160 PHE CA C 55.38 0.2 1 965 . 160 PHE CB C 25.523 0.2 1 966 . 161 LYS CA C 53.637 0.2 1 967 . 161 LYS CB C 30.466 0.2 1 968 . 161 LYS H H 7.493 0.02 1 969 . 161 LYS N N 116.373 0.2 1 970 . 162 ASP CA C 51.554 0.2 1 971 . 162 ASP CB C 38.542 0.2 1 972 . 162 ASP H H 8.443 0.02 1 973 . 162 ASP N N 121.968 0.2 1 974 . 163 SER CA C 55.417 0.2 1 975 . 163 SER CB C 61.406 0.2 1 976 . 163 SER H H 8.271 0.02 1 977 . 163 SER N N 115.827 0.2 1 978 . 164 ASN CA C 52.375 0.2 1 979 . 164 ASN CB C 38.233 0.2 1 980 . 164 ASN H H 8.241 0.02 1 981 . 164 ASN N N 125.968 0.2 1 982 . 165 GLY CA C 42.809 0.2 1 983 . 165 GLY H H 8.474 0.02 1 984 . 165 GLY N N 114.547 0.2 1 985 . 166 HIS H H 7.83 0.02 1 986 . 166 HIS N N 125.654 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 28 58 126 162 '220,220,220' '243,243,243,244' 352 '539,539,539' 552 '657,657,657' 762 866 stop_ save_