data_4818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Resonance Assignments for the N-Terminal Domain of the MAPK Phosphatase MKP3 ; _BMRB_accession_number 4818 _BMRB_flat_file_name bmr4818.str _Entry_type original _Submission_date 2000-09-04 _Accession_date 2000-09-05 _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 Farooq Amjad . . 2 Zeng Lei . . 3 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 752 "13C chemical shifts" 498 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-08 update BMRB 'delete outliers of 22 TRP CZ2 6.84, 22 TRP CZ3 6.76' 2001-11-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N Resonance Assignments of the ERK2 Binding Domain of the MAPK Phosphatase MKP-3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21151325 _PubMed_ID 11256818 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Farooq Amjad . . 2 Zeng Lei . . 3 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 196 _Year 2001 _Details . loop_ _Keyword 'MAPK Phosphatases' NMR 'Resonance Assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_MKP-3 _Saveframe_category molecular_system _Mol_system_name 'N-Terminal Domain of MKP-3' _Abbreviation_common MKP-3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MKP-3 N-Terminal Domain' $MKP-3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'Regulatory domain involved in the inactivation of the MAP kinase ERK2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MKP-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Mitogen-Activated Protein Kinase Phosphatase 3' _Abbreviation_common MKP-3 _Molecular_mass 17000 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MIDTLRPVPFASEMAISKTV AWLNEQLELGNERLLLMDCR PQELYESSHIESAINVAIPG IMLRRLQKGNLPVRALFTRG EDRDRFTRRCGTDTVVLYDE SSSDWNENTGGESLLGLLLK KLKDEGCRAFYLEGGFSKFQ AEFSLHCETNLDGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ASP 4 THR 5 LEU 6 ARG 7 PRO 8 VAL 9 PRO 10 PHE 11 ALA 12 SER 13 GLU 14 MET 15 ALA 16 ILE 17 SER 18 LYS 19 THR 20 VAL 21 ALA 22 TRP 23 LEU 24 ASN 25 GLU 26 GLN 27 LEU 28 GLU 29 LEU 30 GLY 31 ASN 32 GLU 33 ARG 34 LEU 35 LEU 36 LEU 37 MET 38 ASP 39 CYS 40 ARG 41 PRO 42 GLN 43 GLU 44 LEU 45 TYR 46 GLU 47 SER 48 SER 49 HIS 50 ILE 51 GLU 52 SER 53 ALA 54 ILE 55 ASN 56 VAL 57 ALA 58 ILE 59 PRO 60 GLY 61 ILE 62 MET 63 LEU 64 ARG 65 ARG 66 LEU 67 GLN 68 LYS 69 GLY 70 ASN 71 LEU 72 PRO 73 VAL 74 ARG 75 ALA 76 LEU 77 PHE 78 THR 79 ARG 80 GLY 81 GLU 82 ASP 83 ARG 84 ASP 85 ARG 86 PHE 87 THR 88 ARG 89 ARG 90 CYS 91 GLY 92 THR 93 ASP 94 THR 95 VAL 96 VAL 97 LEU 98 TYR 99 ASP 100 GLU 101 SER 102 SER 103 SER 104 ASP 105 TRP 106 ASN 107 GLU 108 ASN 109 THR 110 GLY 111 GLY 112 GLU 113 SER 114 LEU 115 LEU 116 GLY 117 LEU 118 LEU 119 LEU 120 LYS 121 LYS 122 LEU 123 LYS 124 ASP 125 GLU 126 GLY 127 CYS 128 ARG 129 ALA 130 PHE 131 TYR 132 LEU 133 GLU 134 GLY 135 GLY 136 PHE 137 SER 138 LYS 139 PHE 140 GLN 141 ALA 142 GLU 143 PHE 144 SER 145 LEU 146 HIS 147 CYS 148 GLU 149 THR 150 ASN 151 LEU 152 ASP 153 GLY 154 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 PDB 1HZM "Structure Of Erk2 Binding Domain Of Mapk Phosphatase Mkp-3: Structural Insights Into Mkp-3 Activation By Erk2" 99.35 154 100.00 100.00 2.45e-107 DBJ BAA31968 "DUSP6 [Homo sapiens]" 100.00 381 100.00 100.00 3.60e-106 DBJ BAA34369 "DUSP6 [Homo sapiens]" 100.00 381 100.00 100.00 3.60e-106 DBJ BAD38886 "dual specificity phosphatase 6 [Homo sapiens]" 86.36 133 100.00 100.00 3.27e-91 DBJ BAG70079 "dual specificity phosphatase 6 isoform a [Homo sapiens]" 100.00 381 99.35 99.35 2.19e-105 DBJ BAG70207 "dual specificity phosphatase 6 isoform a [Homo sapiens]" 100.00 381 99.35 99.35 2.19e-105 EMBL CAA63813 "protein-tyrosine-phosphatase [Homo sapiens]" 100.00 381 100.00 100.00 3.60e-106 GB AAH03143 "Dual specificity phosphatase 6 [Homo sapiens]" 100.00 381 100.00 100.00 3.60e-106 GB AAH03562 "Dual specificity phosphatase 6 [Homo sapiens]" 100.00 381 100.00 100.00 3.60e-106 GB AAH05047 "Dual specificity phosphatase 6 [Homo sapiens]" 100.00 381 99.35 100.00 8.50e-106 GB AAH37236 "Dual specificity phosphatase 6 [Homo sapiens]" 100.00 381 99.35 100.00 8.50e-106 GB AAI05539 "Dual specificity phosphatase 6 [Bos taurus]" 100.00 381 98.05 100.00 1.20e-104 REF NP_001039660 "dual specificity protein phosphatase 6 [Bos taurus]" 100.00 381 98.05 100.00 1.20e-104 REF NP_001244721 "dual specificity protein phosphatase 6 [Macaca mulatta]" 100.00 381 98.70 100.00 2.36e-105 REF NP_001254771 "dual specificity protein phosphatase 6 [Sus scrofa]" 100.00 381 98.70 100.00 2.36e-105 REF NP_001937 "dual specificity protein phosphatase 6 isoform a [Homo sapiens]" 100.00 381 99.35 100.00 8.50e-106 REF XP_001165821 "PREDICTED: dual specificity protein phosphatase 6 [Pan troglodytes]" 100.00 381 98.70 100.00 2.36e-105 SP Q16828 "RecName: Full=Dual specificity protein phosphatase 6; AltName: Full=Dual specificity protein phosphatase PYST1; AltName: Full=M" 100.00 381 99.35 100.00 8.50e-106 SP Q2KJ36 "RecName: Full=Dual specificity protein phosphatase 6 [Bos taurus]" 100.00 381 98.05 100.00 1.20e-104 TPG DAA30092 "TPA: dual specificity protein phosphatase 6 [Bos taurus]" 100.00 381 98.05 100.00 1.20e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MKP-3 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 $MKP-3 '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 $MKP-3 . mM 0.4 0.6 '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label $sample_1 save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 298 1 K 'ionic strength' 0.1 0.02 M 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 . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MKP-3 N-Terminal Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET H H 8.20 . 1 2 . 1 MET HA H 4.43 . 1 3 . 1 MET HB2 H 2.03 . 1 4 . 1 MET HB3 H 2.08 . 1 5 . 1 MET HG2 H 2.56 . 1 6 . 1 MET HG3 H 2.64 . 1 7 . 1 MET CA C 55.82 . 1 8 . 1 MET CB C 31.43 . 1 9 . 1 MET CG C 32.40 . 1 10 . 1 MET N N 120.22 . 1 11 . 2 ILE H H 8.19 . 1 12 . 2 ILE HA H 4.15 . 1 13 . 2 ILE HB H 1.84 . 1 14 . 2 ILE HG12 H 1.18 . 1 15 . 2 ILE HG13 H 1.43 . 1 16 . 2 ILE HG2 H 0.94 . 1 17 . 2 ILE HD1 H 0.92 . 1 18 . 2 ILE CA C 60.53 . 1 19 . 2 ILE CB C 38.15 . 1 20 . 2 ILE CG1 C 26.66 . 1 21 . 2 ILE CG2 C 16.90 . 1 22 . 2 ILE CD1 C 12.35 . 1 23 . 2 ILE N N 121.64 . 1 24 . 3 ASP H H 8.38 . 1 25 . 3 ASP HA H 4.64 . 1 26 . 3 ASP HB2 H 2.60 . 1 27 . 3 ASP HB3 H 2.71 . 1 28 . 3 ASP CA C 54.80 . 1 29 . 3 ASP CB C 41.62 . 1 30 . 3 ASP N N 124.14 . 1 31 . 4 THR H H 8.04 . 1 32 . 4 THR HA H 4.24 . 1 33 . 4 THR HB H 4.27 . 1 34 . 4 THR HG2 H 1.18 . 1 35 . 4 THR CA C 61.38 . 1 36 . 4 THR CB C 68.66 . 1 37 . 4 THR CG2 C 21.11 . 1 38 . 4 THR N N 114.14 . 1 39 . 5 LEU H H 8.18 . 1 40 . 5 LEU HA H 4.31 . 1 41 . 5 LEU HB2 H 1.57 . 1 42 . 5 LEU HB3 H 1.67 . 1 43 . 5 LEU HG H 1.59 . 1 44 . 5 LEU HD1 H 0.87 . 1 45 . 5 LEU HD2 H 0.87 . 1 46 . 5 LEU CA C 54.54 . 1 47 . 5 LEU CB C 41.28 . 1 48 . 5 LEU CG C 26.31 . 1 49 . 5 LEU CD1 C 24.54 . 1 50 . 5 LEU CD2 C 23.01 . 1 51 . 5 LEU N N 123.83 . 1 52 . 6 ARG H H 8.31 . 1 53 . 6 ARG HA H 4.60 . 1 54 . 6 ARG HD3 H 2.71 . 1 55 . 6 ARG CA C 54.21 . 1 56 . 6 ARG CB C 41.09 . 1 57 . 6 ARG N N 120.71 . 1 58 . 7 PRO HA H 4.65 . 1 59 . 7 PRO HB2 H 2.10 . 1 60 . 7 PRO HB3 H 2.31 . 1 61 . 7 PRO HG3 H 2.01 . 1 62 . 7 PRO HD2 H 3.65 . 1 63 . 7 PRO HD3 H 3.80 . 1 64 . 7 PRO CA C 61.41 . 1 65 . 7 PRO CB C 31.41 . 1 66 . 7 PRO CG C 26.82 . 1 67 . 7 PRO CD C 49.96 . 1 68 . 9 PRO HA H 4.50 . 1 69 . 9 PRO HB2 H 1.89 . 1 70 . 9 PRO HB3 H 2.28 . 1 71 . 9 PRO HG3 H 2.02 . 1 72 . 9 PRO HD2 H 3.68 . 1 73 . 9 PRO HD3 H 3.81 . 1 74 . 9 PRO CA C 62.35 . 1 75 . 9 PRO CB C 31.36 . 1 76 . 9 PRO CG C 26.75 . 1 77 . 9 PRO CD C 49.91 . 1 78 . 10 PHE H H 8.21 . 1 79 . 10 PHE HA H 4.56 . 1 80 . 10 PHE HB3 H 3.09 . 1 81 . 10 PHE HD1 H 7.26 . 3 82 . 10 PHE HE1 H 7.16 . 3 83 . 10 PHE HZ H 7.01 . 1 84 . 10 PHE CA C 57.16 . 1 85 . 10 PHE CB C 38.69 . 1 86 . 10 PHE CD1 C 132.51 . 3 87 . 10 PHE CE1 C 132.22 . 3 88 . 10 PHE CZ C 132.60 . 1 89 . 10 PHE N N 120.19 . 1 90 . 11 ALA H H 8.18 . 1 91 . 11 ALA HA H 4.27 . 1 92 . 11 ALA HB H 1.34 . 1 93 . 11 ALA CA C 51.87 . 1 94 . 11 ALA CB C 19.46 . 1 95 . 11 ALA N N 125.50 . 1 96 . 12 SER H H 8.20 . 1 97 . 12 SER HA H 4.37 . 1 98 . 12 SER HB2 H 3.88 . 1 99 . 12 SER HB3 H 3.86 . 1 100 . 12 SER CA C 58.11 . 1 101 . 12 SER CB C 62.95 . 1 102 . 12 SER N N 114.87 . 1 103 . 13 GLU H H 8.48 . 1 104 . 13 GLU HA H 4.32 . 1 105 . 13 GLU HB2 H 1.97 . 1 106 . 13 GLU HB3 H 2.08 . 1 107 . 13 GLU HG2 H 2.32 . 1 108 . 13 GLU HG3 H 2.28 . 1 109 . 13 GLU CA C 56.26 . 1 110 . 13 GLU CB C 28.85 . 1 111 . 13 GLU CG C 35.95 . 1 112 . 13 GLU N N 122.27 . 1 113 . 14 MET H H 8.21 . 1 114 . 14 MET HA H 4.46 . 1 115 . 14 MET HB2 H 1.99 . 1 116 . 14 MET HB3 H 2.13 . 1 117 . 14 MET HG2 H 2.58 . 1 118 . 14 MET HG3 H 2.65 . 1 119 . 14 MET HE H 2.11 . 1 120 . 14 MET CA C 54.80 . 1 121 . 14 MET CB C 32.40 . 1 122 . 14 MET CG C 31.41 . 1 123 . 14 MET CE C 16.16 . 1 124 . 14 MET N N 120.19 . 1 125 . 15 ALA H H 8.13 . 1 126 . 15 ALA HA H 4.45 . 1 127 . 15 ALA HB H 1.46 . 1 128 . 15 ALA CA C 51.86 . 1 129 . 15 ALA CB C 18.44 . 1 130 . 15 ALA N N 124.77 . 1 131 . 16 ILE H H 8.36 . 1 132 . 16 ILE HA H 4.60 . 1 133 . 16 ILE HB H 2.17 . 1 134 . 16 ILE HG12 H 1.34 . 1 135 . 16 ILE HG13 H 1.46 . 1 136 . 16 ILE HG2 H 1.00 . 1 137 . 16 ILE HD1 H 0.88 . 1 138 . 16 ILE CA C 60.33 . 1 139 . 16 ILE CB C 39.25 . 1 140 . 16 ILE CG1 C 26.57 . 1 141 . 16 ILE CG2 C 17.43 . 1 142 . 16 ILE CD1 C 13.66 . 1 143 . 16 ILE N N 115.71 . 1 144 . 17 SER H H 7.67 . 1 145 . 17 SER HA H 5.11 . 1 146 . 17 SER HB2 H 3.00 . 1 147 . 17 SER HB3 H 3.32 . 1 148 . 17 SER CA C 54.73 . 1 149 . 17 SER CB C 66.14 . 1 150 . 17 SER N N 114.46 . 1 151 . 18 LYS H H 8.27 . 1 152 . 18 LYS HA H 4.42 . 1 153 . 18 LYS HB3 H 2.26 . 1 154 . 18 LYS HE2 H 3.00 . 1 155 . 18 LYS HE3 H 3.34 . 1 156 . 18 LYS CA C 51.41 . 1 157 . 18 LYS CB C 35.70 . 1 158 . 18 LYS CG C 22.73 . 1 159 . 18 LYS CD C 26.54 . 1 160 . 18 LYS CE C 39.75 . 1 161 . 18 LYS N N 117.00 . 1 162 . 19 THR H H 8.10 . 1 163 . 19 THR HA H 4.86 . 1 164 . 19 THR HB H 4.96 . 1 165 . 19 THR HG2 H 1.32 . 1 166 . 19 THR CA C 59.60 . 1 167 . 19 THR CB C 71.23 . 1 168 . 19 THR CG2 C 22.00 . 1 169 . 19 THR N N 110.08 . 1 170 . 20 VAL H H 9.52 . 1 171 . 20 VAL HA H 4.23 . 1 172 . 20 VAL HB H 2.57 . 1 173 . 20 VAL HG1 H 1.36 . 1 174 . 20 VAL HG2 H 1.42 . 1 175 . 20 VAL CA C 65.14 . 1 176 . 20 VAL CB C 30.82 . 1 177 . 20 VAL CG1 C 22.01 . 1 178 . 20 VAL CG2 C 19.42 . 1 179 . 20 VAL N N 114.14 . 1 180 . 21 ALA H H 8.18 . 1 181 . 21 ALA HA H 4.01 . 1 182 . 21 ALA HB H 1.57 . 1 183 . 21 ALA CA C 54.50 . 1 184 . 21 ALA CB C 17.57 . 1 185 . 21 ALA N N 122.48 . 1 186 . 22 TRP H H 8.21 . 1 187 . 22 TRP HA H 4.03 . 1 188 . 22 TRP HB2 H 3.24 . 1 189 . 22 TRP HB3 H 3.56 . 1 190 . 22 TRP HD1 H 7.32 . 1 191 . 22 TRP HE1 H 10.22 . 1 192 . 22 TRP HE3 H 7.36 . 1 193 . 22 TRP HZ2 H 6.82 . 1 194 . 22 TRP HZ3 H 6.75 . 1 195 . 22 TRP HH2 H 6.61 . 1 196 . 22 TRP CA C 61.10 . 1 197 . 22 TRP CB C 27.83 . 1 198 . 22 TRP CD1 C 128.91 . 1 199 . 22 TRP CE3 C 114.86 . 1 200 . 22 TRP CH2 C 121.51 . 1 201 . 22 TRP N N 121.70 . 1 202 . 22 TRP NE1 N 130.71 . 1 203 . 23 LEU H H 8.25 . 1 204 . 23 LEU HA H 4.00 . 1 205 . 23 LEU HB2 H 1.20 . 1 206 . 23 LEU HB3 H 1.93 . 1 207 . 23 LEU HD1 H 1.08 . 1 208 . 23 LEU HD2 H 1.07 . 1 209 . 23 LEU CA C 57.78 . 1 210 . 23 LEU CB C 40.52 . 1 211 . 23 LEU CG C 27.39 . 1 212 . 23 LEU CD1 C 21.49 . 1 213 . 23 LEU CD2 C 23.26 . 1 214 . 23 LEU N N 119.46 . 1 215 . 24 ASN H H 8.40 . 1 216 . 24 ASN HA H 3.76 . 1 217 . 24 ASN HB3 H 1.39 . 1 218 . 24 ASN CA C 58.79 . 1 219 . 24 ASN CB C 38.49 . 1 220 . 24 ASN N N 116.64 . 1 221 . 25 GLU H H 7.52 . 1 222 . 25 GLU HA H 3.71 . 1 223 . 25 GLU HB2 H 1.96 . 1 224 . 25 GLU HB3 H 1.92 . 1 225 . 25 GLU HG2 H 1.97 . 1 226 . 25 GLU HG3 H 2.18 . 1 227 . 25 GLU CA C 58.70 . 1 228 . 25 GLU CB C 28.89 . 1 229 . 25 GLU CG C 35.70 . 1 230 . 25 GLU N N 117.00 . 1 231 . 26 GLN H H 7.58 . 1 232 . 26 GLN HA H 3.54 . 1 233 . 26 GLN HB2 H 1.36 . 1 234 . 26 GLN HB3 H 1.60 . 1 235 . 26 GLN HG3 H 2.00 . 1 236 . 26 GLN HE21 H 5.85 . 1 237 . 26 GLN HE22 H 6.66 . 1 238 . 26 GLN CA C 56.96 . 1 239 . 26 GLN CB C 27.07 . 1 240 . 26 GLN CG C 32.20 . 1 241 . 26 GLN N N 115.19 . 1 242 . 26 GLN NE2 N 114.04 . 1 243 . 27 LEU H H 7.83 . 1 244 . 27 LEU HA H 3.94 . 1 245 . 27 LEU HB3 H 1.55 . 1 246 . 27 LEU HG H 1.26 . 1 247 . 27 LEU HD1 H 0.72 . 1 248 . 27 LEU HD2 H 0.67 . 1 249 . 27 LEU CA C 56.00 . 1 250 . 27 LEU CB C 41.33 . 1 251 . 27 LEU CG C 29.33 . 1 252 . 27 LEU CD1 C 24.79 . 1 253 . 27 LEU CD2 C 26.16 . 1 254 . 27 LEU N N 118.42 . 1 255 . 28 GLU H H 8.23 . 1 256 . 28 GLU HA H 3.90 . 1 257 . 28 GLU HB3 H 2.08 . 1 258 . 28 GLU HG2 H 2.45 . 1 259 . 28 GLU HG3 H 2.59 . 1 260 . 28 GLU CA C 58.04 . 1 261 . 28 GLU CB C 28.81 . 1 262 . 28 GLU CG C 35.95 . 1 263 . 28 GLU N N 120.60 . 1 264 . 29 LEU H H 7.90 . 1 265 . 29 LEU HA H 4.14 . 1 266 . 29 LEU HB2 H 1.48 . 1 267 . 29 LEU HB3 H 1.65 . 1 268 . 29 LEU HG H 1.44 . 1 269 . 29 LEU HD1 H 0.75 . 1 270 . 29 LEU HD2 H 0.77 . 1 271 . 29 LEU CA C 54.85 . 1 272 . 29 LEU CB C 41.74 . 1 273 . 29 LEU CG C 27.11 . 1 274 . 29 LEU CD1 C 22.25 . 1 275 . 29 LEU CD2 C 24.85 . 1 276 . 29 LEU N N 117.37 . 1 277 . 30 GLY H H 7.52 . 1 278 . 30 GLY HA2 H 3.73 . 1 279 . 30 GLY HA3 H 3.90 . 1 280 . 30 GLY CA C 45.34 . 1 281 . 30 GLY N N 107.69 . 1 282 . 31 ASN H H 7.63 . 1 283 . 31 ASN HA H 4.33 . 1 284 . 31 ASN HB2 H 2.56 . 1 285 . 31 ASN HB3 H 2.58 . 1 286 . 31 ASN HD21 H 6.78 . 1 287 . 31 ASN HD22 H 7.51 . 1 288 . 31 ASN CA C 51.77 . 1 289 . 31 ASN CB C 37.51 . 1 290 . 31 ASN N N 116.96 . 1 291 . 31 ASN ND2 N 114.25 . 1 292 . 32 GLU H H 8.90 . 1 293 . 32 GLU HA H 4.31 . 1 294 . 32 GLU HB2 H 1.97 . 1 295 . 32 GLU HB3 H 1.93 . 1 296 . 32 GLU HG2 H 2.20 . 1 297 . 32 GLU HG3 H 2.39 . 1 298 . 32 GLU CA C 56.26 . 1 299 . 32 GLU CB C 28.85 . 1 300 . 32 GLU CG C 35.95 . 1 301 . 32 GLU N N 126.02 . 1 302 . 33 ARG H H 8.53 . 1 303 . 33 ARG HA H 4.56 . 1 304 . 33 ARG HB2 H 1.75 . 1 305 . 33 ARG HB3 H 1.77 . 1 306 . 33 ARG HG2 H 1.51 . 1 307 . 33 ARG HG3 H 1.61 . 1 308 . 33 ARG HD3 H 3.20 . 1 309 . 33 ARG HE H 7.20 . 0 310 . 33 ARG CA C 53.47 . 1 311 . 33 ARG CB C 29.60 . 1 312 . 33 ARG CG C 26.21 . 1 313 . 33 ARG CD C 42.81 . 1 314 . 33 ARG N N 121.44 . 1 315 . 34 LEU H H 7.41 . 1 316 . 34 LEU HA H 5.02 . 1 317 . 34 LEU HB2 H 1.18 . 1 318 . 34 LEU HB3 H 1.45 . 1 319 . 34 LEU HG H 1.30 . 1 320 . 34 LEU HD1 H 0.76 . 1 321 . 34 LEU HD2 H 0.67 . 1 322 . 34 LEU CA C 53.15 . 1 323 . 34 LEU CB C 44.36 . 1 324 . 34 LEU CG C 26.48 . 1 325 . 34 LEU CD1 C 24.03 . 1 326 . 34 LEU CD2 C 24.79 . 1 327 . 34 LEU N N 122.69 . 1 328 . 35 LEU H H 9.03 . 1 329 . 35 LEU HA H 4.62 . 1 330 . 35 LEU HB2 H 1.58 . 1 331 . 35 LEU HB3 H 1.73 . 1 332 . 35 LEU HG H 1.50 . 1 333 . 35 LEU HD1 H 1.00 . 1 334 . 35 LEU HD2 H 0.77 . 1 335 . 35 LEU CA C 53.47 . 1 336 . 35 LEU CB C 43.06 . 1 337 . 35 LEU CG C 25.55 . 1 338 . 35 LEU CD1 C 21.37 . 1 339 . 35 LEU CD2 C 25.04 . 1 340 . 35 LEU N N 129.46 . 1 341 . 36 LEU H H 8.95 . 1 342 . 36 LEU HA H 5.35 . 1 343 . 36 LEU HB2 H 1.51 . 1 344 . 36 LEU HB3 H 1.82 . 1 345 . 36 LEU HG H 1.60 . 1 346 . 36 LEU HD1 H 0.92 . 1 347 . 36 LEU HD2 H 0.97 . 1 348 . 36 LEU CA C 52.70 . 1 349 . 36 LEU CB C 43.63 . 1 350 . 36 LEU CG C 27.33 . 1 351 . 36 LEU CD1 C 25.80 . 1 352 . 36 LEU CD2 C 25.55 . 1 353 . 36 LEU N N 127.37 . 1 354 . 37 MET H H 9.24 . 1 355 . 37 MET HA H 4.96 . 1 356 . 37 MET HB2 H 1.69 . 1 357 . 37 MET HB3 H 1.87 . 1 358 . 37 MET HG2 H 2.21 . 1 359 . 37 MET HG3 H 2.27 . 1 360 . 37 MET HE H 1.84 . 1 361 . 37 MET CA C 53.78 . 1 362 . 37 MET CB C 35.45 . 1 363 . 37 MET CG C 31.39 . 1 364 . 37 MET CE C 16.92 . 1 365 . 37 MET N N 123.00 . 1 366 . 38 ASP H H 9.00 . 1 367 . 38 ASP HA H 3.42 . 1 368 . 38 ASP HB2 H 2.20 . 1 369 . 38 ASP HB3 H 2.26 . 1 370 . 38 ASP CA C 51.44 . 1 371 . 38 ASP CB C 42.30 . 1 372 . 38 ASP N N 124.14 . 1 373 . 39 CYS H H 8.71 . 1 374 . 39 CYS HA H 4.84 . 1 375 . 39 CYS HB2 H 2.69 . 1 376 . 39 CYS HB3 H 2.86 . 1 377 . 39 CYS CA C 57.52 . 1 378 . 39 CYS CB C 26.82 . 1 379 . 39 CYS N N 124.46 . 1 380 . 40 ARG H H 7.97 . 1 381 . 40 ARG HA H 4.28 . 1 382 . 40 ARG CA C 54.27 . 1 383 . 40 ARG CB C 29.17 . 1 384 . 40 ARG N N 120.93 . 1 385 . 41 PRO HA H 4.38 . 1 386 . 41 PRO HB2 H 1.84 . 1 387 . 41 PRO HB3 H 2.24 . 1 388 . 41 PRO HG3 H 1.98 . 1 389 . 41 PRO HD2 H 3.67 . 1 390 . 41 PRO HD3 H 3.85 . 1 391 . 41 PRO CA C 62.60 . 1 392 . 41 PRO CB C 31.39 . 1 393 . 41 PRO CG C 26.74 . 1 394 . 41 PRO CD C 50.42 . 1 395 . 42 GLN H H 8.71 . 1 396 . 42 GLN HA H 4.19 . 1 397 . 42 GLN HB3 H 2.08 . 1 398 . 42 GLN HG2 H 2.31 . 1 399 . 42 GLN HG3 H 2.38 . 1 400 . 42 GLN HE21 H 6.74 . 1 401 . 42 GLN HE22 H 7.77 . 1 402 . 42 GLN CA C 58.72 . 1 403 . 42 GLN CB C 28.34 . 1 404 . 42 GLN CG C 32.40 . 1 405 . 42 GLN N N 123.94 . 1 406 . 42 GLN NE2 N 111.85 . 1 407 . 43 GLU H H 9.49 . 1 408 . 43 GLU HA H 4.09 . 1 409 . 43 GLU HB3 H 1.97 . 1 410 . 43 GLU HG3 H 2.32 . 1 411 . 43 GLU CA C 58.88 . 1 412 . 43 GLU CB C 28.85 . 1 413 . 43 GLU CG C 35.50 . 1 414 . 43 GLU N N 116.54 . 1 415 . 44 LEU H H 7.27 . 1 416 . 44 LEU HA H 4.24 . 1 417 . 44 LEU HB3 H 1.79 . 1 418 . 44 LEU HG H 1.54 . 1 419 . 44 LEU HD1 H 0.94 . 1 420 . 44 LEU HD2 H 0.96 . 1 421 . 44 LEU CA C 56.51 . 1 422 . 44 LEU CB C 40.27 . 1 423 . 44 LEU CG C 28.04 . 1 424 . 44 LEU CD1 C 23.27 . 1 425 . 44 LEU CD2 C 22.76 . 1 426 . 44 LEU N N 119.35 . 1 427 . 45 TYR H H 7.62 . 1 428 . 45 TYR HA H 4.21 . 1 429 . 45 TYR HB2 H 2.06 . 1 430 . 45 TYR HB3 H 3.85 . 1 431 . 45 TYR CA C 60.84 . 1 432 . 45 TYR CB C 29.80 . 1 433 . 45 TYR N N 121.02 . 1 434 . 46 GLU H H 8.96 . 1 435 . 46 GLU HA H 3.86 . 1 436 . 46 GLU HB3 H 2.03 . 1 437 . 46 GLU HG2 H 2.40 . 1 438 . 46 GLU HG3 H 2.54 . 1 439 . 46 GLU CA C 58.12 . 1 440 . 46 GLU CB C 28.85 . 1 441 . 46 GLU CG C 36.05 . 1 442 . 46 GLU N N 118.52 . 1 443 . 47 SER H H 7.05 . 1 444 . 47 SER HA H 4.20 . 1 445 . 47 SER HB3 H 4.01 . 1 446 . 47 SER CA C 60.91 . 1 447 . 47 SER CB C 62.85 . 1 448 . 47 SER N N 112.79 . 1 449 . 48 SER H H 7.33 . 1 450 . 48 SER HA H 4.56 . 1 451 . 48 SER HB2 H 3.86 . 1 452 . 48 SER HB3 H 4.00 . 1 453 . 48 SER CA C 58.03 . 1 454 . 48 SER CB C 62.85 . 1 455 . 48 SER N N 111.02 . 1 456 . 49 HIS H H 8.24 . 1 457 . 49 HIS HA H 4.41 . 1 458 . 49 HIS HB2 H 3.04 . 1 459 . 49 HIS HB3 H 2.99 . 1 460 . 49 HIS HD2 H 5.77 . 1 461 . 49 HIS CA C 53.74 . 1 462 . 49 HIS CB C 30.88 . 1 463 . 49 HIS CD2 C 116.34 . 1 464 . 49 HIS N N 115.81 . 1 465 . 50 ILE H H 8.37 . 1 466 . 50 ILE HA H 4.17 . 1 467 . 50 ILE HB H 1.56 . 1 468 . 50 ILE HG13 H 0.60 . 1 469 . 50 ILE HG2 H 0.74 . 1 470 . 50 ILE HD1 H -0.62 . 1 471 . 50 ILE CA C 63.62 . 1 472 . 50 ILE CB C 36.72 . 1 473 . 50 ILE CG1 C 27.33 . 1 474 . 50 ILE CG2 C 16.41 . 1 475 . 50 ILE CD1 C 11.23 . 1 476 . 50 ILE N N 121.65 . 1 477 . 51 GLU H H 8.58 . 1 478 . 51 GLU HA H 4.17 . 1 479 . 51 GLU HB2 H 2.02 . 1 480 . 51 GLU HB3 H 2.14 . 1 481 . 51 GLU HG3 H 2.38 . 1 482 . 51 GLU CA C 56.76 . 1 483 . 51 GLU CB C 29.61 . 1 484 . 51 GLU CG C 34.94 . 1 485 . 51 GLU N N 128.00 . 1 486 . 52 SER H H 8.83 . 1 487 . 52 SER HA H 4.23 . 1 488 . 52 SER HB3 H 3.98 . 1 489 . 52 SER CA C 60.82 . 1 490 . 52 SER CB C 64.58 . 1 491 . 52 SER N N 118.42 . 1 492 . 53 ALA H H 8.71 . 1 493 . 53 ALA HA H 4.66 . 1 494 . 53 ALA HB H 1.71 . 1 495 . 53 ALA CA C 52.26 . 1 496 . 53 ALA CB C 21.65 . 1 497 . 53 ALA N N 124.66 . 1 498 . 54 ILE H H 8.78 . 1 499 . 54 ILE HA H 4.43 . 1 500 . 54 ILE HB H 1.80 . 1 501 . 54 ILE HG13 H 1.22 . 1 502 . 54 ILE HG2 H 0.88 . 1 503 . 54 ILE HD1 H 0.73 . 1 504 . 54 ILE CA C 59.08 . 1 505 . 54 ILE CB C 39.91 . 1 506 . 54 ILE CG1 C 25.36 . 1 507 . 54 ILE CG2 C 17.43 . 1 508 . 54 ILE CD1 C 13.62 . 1 509 . 54 ILE N N 120.50 . 1 510 . 55 ASN H H 8.95 . 1 511 . 55 ASN HA H 4.80 . 1 512 . 55 ASN HB2 H 1.77 . 1 513 . 55 ASN HB3 H 1.91 . 1 514 . 55 ASN HD21 H 6.28 . 1 515 . 55 ASN HD22 H 7.33 . 1 516 . 55 ASN CA C 51.18 . 1 517 . 55 ASN CB C 39.76 . 1 518 . 55 ASN N N 125.19 . 1 519 . 55 ASN ND2 N 113.00 . 1 520 . 56 VAL H H 7.87 . 1 521 . 56 VAL HA H 3.97 . 1 522 . 56 VAL HB H 1.69 . 1 523 . 56 VAL HG1 H 0.46 . 1 524 . 56 VAL HG2 H 0.51 . 1 525 . 56 VAL CA C 59.55 . 1 526 . 56 VAL CB C 31.71 . 1 527 . 56 VAL CG1 C 20.73 . 1 528 . 56 VAL CG2 C 20.63 . 1 529 . 56 VAL N N 124.35 . 1 530 . 57 ALA H H 7.60 . 1 531 . 57 ALA HA H 4.17 . 1 532 . 57 ALA HB H 1.14 . 1 533 . 57 ALA CA C 50.71 . 1 534 . 57 ALA CB C 18.97 . 1 535 . 57 ALA N N 126.12 . 1 536 . 58 ILE H H 7.90 . 1 537 . 58 ILE HA H 4.45 . 1 538 . 58 ILE HB H 1.80 . 1 539 . 58 ILE HG12 H 0.98 . 1 540 . 58 ILE HG13 H 1.34 . 1 541 . 58 ILE HG2 H 0.71 . 1 542 . 58 ILE HD1 H 0.60 . 1 543 . 58 ILE CA C 57.24 . 1 544 . 58 ILE CB C 38.41 . 1 545 . 58 ILE CG1 C 25.55 . 1 546 . 58 ILE CG2 C 17.43 . 1 547 . 58 ILE CD1 C 13.18 . 1 548 . 58 ILE N N 119.14 . 1 549 . 59 PRO HA H 4.54 . 1 550 . 59 PRO HB2 H 2.00 . 1 551 . 59 PRO HB3 H 2.44 . 1 552 . 59 PRO HG2 H 1.93 . 1 553 . 59 PRO HG3 H 2.07 . 1 554 . 59 PRO HD2 H 3.62 . 1 555 . 59 PRO HD3 H 4.13 . 1 556 . 59 PRO CA C 61.80 . 1 557 . 59 PRO CB C 32.40 . 1 558 . 59 PRO CG C 26.84 . 1 559 . 59 PRO CD C 50.16 . 1 560 . 60 GLY H H 8.80 . 1 561 . 60 GLY HA2 H 3.73 . 1 562 . 60 GLY HA3 H 4.00 . 1 563 . 60 GLY CA C 47.12 . 1 564 . 60 GLY N N 110.60 . 1 565 . 61 ILE H H 8.35 . 1 566 . 61 ILE HA H 4.03 . 1 567 . 61 ILE HB H 1.88 . 1 568 . 61 ILE HG12 H 1.21 . 1 569 . 61 ILE HG13 H 1.43 . 1 570 . 61 ILE HG2 H 0.91 . 1 571 . 61 ILE HD1 H 0.93 . 1 572 . 61 ILE CA C 62.72 . 1 573 . 61 ILE CB C 37.52 . 1 574 . 61 ILE CG1 C 27.52 . 1 575 . 61 ILE CG2 C 16.92 . 1 576 . 61 ILE CD1 C 13.08 . 1 577 . 61 ILE N N 118.31 . 1 578 . 62 MET H H 7.41 . 1 579 . 62 MET HA H 4.27 . 1 580 . 62 MET HB2 H 1.89 . 1 581 . 62 MET HB3 H 2.00 . 1 582 . 62 MET HG2 H 2.40 . 1 583 . 62 MET HG3 H 2.60 . 1 584 . 62 MET HE H 2.06 . 1 585 . 62 MET CA C 56.26 . 1 586 . 62 MET CB C 32.19 . 1 587 . 62 MET CG C 32.28 . 1 588 . 62 MET CE C 16.92 . 1 589 . 62 MET N N 119.14 . 1 590 . 63 LEU H H 8.05 . 1 591 . 63 LEU HA H 4.27 . 1 592 . 63 LEU HB3 H 1.59 . 1 593 . 63 LEU HD1 H 0.90 . 1 594 . 63 LEU HD2 H 0.85 . 1 595 . 63 LEU CA C 56.00 . 1 596 . 63 LEU CB C 40.21 . 1 597 . 63 LEU CG C 27.49 . 1 598 . 63 LEU CD1 C 23.01 . 1 599 . 63 LEU CD2 C 24.03 . 1 600 . 63 LEU N N 124.56 . 1 601 . 64 ARG H H 7.94 . 1 602 . 64 ARG HA H 4.41 . 1 603 . 64 ARG HB3 H 1.67 . 1 604 . 64 ARG HG3 H 1.55 . 1 605 . 64 ARG HD3 H 3.20 . 1 606 . 64 ARG CA C 58.03 . 1 607 . 64 ARG CB C 29.18 . 1 608 . 64 ARG CG C 26.52 . 1 609 . 64 ARG CD C 42.89 . 1 610 . 64 ARG N N 121.00 . 1 611 . 65 ARG H H 7.42 . 1 612 . 65 ARG HA H 4.10 . 1 613 . 65 ARG HB3 H 1.88 . 1 614 . 65 ARG HG3 H 1.66 . 1 615 . 65 ARG HD2 H 3.12 . 1 616 . 65 ARG HD3 H 3.20 . 1 617 . 65 ARG CA C 57.95 . 1 618 . 65 ARG CB C 30.37 . 1 619 . 65 ARG CG C 26.57 . 1 620 . 65 ARG CD C 42.76 . 1 621 . 65 ARG N N 117.79 . 1 622 . 66 LEU H H 8.03 . 1 623 . 66 LEU HA H 4.11 . 1 624 . 66 LEU HB2 H 1.89 . 1 625 . 66 LEU HB3 H 1.84 . 1 626 . 66 LEU HG H 1.59 . 1 627 . 66 LEU HD1 H 0.75 . 1 628 . 66 LEU HD2 H 0.80 . 1 629 . 66 LEU CA C 56.76 . 1 630 . 66 LEU CB C 41.79 . 1 631 . 66 LEU CG C 26.61 . 1 632 . 66 LEU CD1 C 25.55 . 1 633 . 66 LEU CD2 C 24.16 . 1 634 . 66 LEU N N 120.71 . 1 635 . 67 GLN H H 8.34 . 1 636 . 67 GLN HA H 4.01 . 1 637 . 67 GLN HB2 H 2.12 . 1 638 . 67 GLN HB3 H 2.23 . 1 639 . 67 GLN HG2 H 2.33 . 1 640 . 67 GLN HG3 H 2.46 . 1 641 . 67 GLN HE21 H 6.80 . 1 642 . 67 GLN HE22 H 7.45 . 1 643 . 67 GLN CA C 57.51 . 1 644 . 67 GLN CB C 28.24 . 1 645 . 67 GLN CG C 33.67 . 1 646 . 67 GLN N N 118.62 . 1 647 . 67 GLN NE2 N 111.12 . 1 648 . 68 LYS H H 7.79 . 1 649 . 68 LYS HA H 4.23 . 1 650 . 68 LYS HB2 H 1.83 . 1 651 . 68 LYS HB3 H 1.92 . 1 652 . 68 LYS HG3 H 1.49 . 1 653 . 68 LYS HD3 H 1.65 . 1 654 . 68 LYS HE3 H 3.00 . 1 655 . 68 LYS CA C 56.03 . 1 656 . 68 LYS CB C 32.20 . 1 657 . 68 LYS CG C 24.54 . 1 658 . 68 LYS CD C 28.09 . 1 659 . 68 LYS CE C 41.19 . 1 660 . 68 LYS N N 117.27 . 1 661 . 69 GLY H H 7.96 . 1 662 . 69 GLY HA2 H 3.84 . 1 663 . 69 GLY HA3 H 3.97 . 1 664 . 69 GLY CA C 45.09 . 1 665 . 69 GLY N N 121.44 . 1 666 . 70 ASN H H 8.09 . 1 667 . 70 ASN HA H 4.78 . 1 668 . 70 ASN HB2 H 2.69 . 1 669 . 70 ASN HB3 H 2.83 . 1 670 . 70 ASN HD21 H 6.86 . 1 671 . 70 ASN HD22 H 7.53 . 1 672 . 70 ASN CA C 51.94 . 1 673 . 70 ASN CB C 38.30 . 1 674 . 70 ASN N N 116.96 . 1 675 . 70 ASN ND2 N 111.54 . 1 676 . 71 LEU H H 7.81 . 1 677 . 71 LEU HA H 4.64 . 1 678 . 71 LEU HB2 H 1.16 . 1 679 . 71 LEU HB3 H 1.53 . 1 680 . 71 LEU HG H 1.53 . 1 681 . 71 LEU HD1 H 0.79 . 1 682 . 71 LEU HD2 H 0.72 . 1 683 . 71 LEU CA C 51.69 . 1 684 . 71 LEU CB C 43.57 . 1 685 . 71 LEU CG C 25.55 . 1 686 . 71 LEU CD1 C 24.03 . 1 687 . 71 LEU CD2 C 25.30 . 1 688 . 71 LEU N N 122.69 . 1 689 . 72 PRO HA H 4.44 . 1 690 . 72 PRO HB3 H 2.08 . 1 691 . 72 PRO HG3 H 1.99 . 1 692 . 72 PRO HD2 H 3.65 . 1 693 . 72 PRO HD3 H 3.85 . 1 694 . 72 PRO CA C 59.12 . 1 695 . 72 PRO CB C 32.15 . 1 696 . 72 PRO CG C 26.82 . 1 697 . 72 PRO CD C 50.32 . 1 698 . 73 VAL H H 7.89 . 1 699 . 73 VAL HA H 4.19 . 1 700 . 73 VAL HB H 1.94 . 1 701 . 73 VAL HG1 H 0.93 . 1 702 . 73 VAL HG2 H 0.94 . 1 703 . 73 VAL CA C 68.69 . 1 704 . 73 VAL CB C 30.37 . 1 705 . 73 VAL CG1 C 21.74 . 1 706 . 73 VAL CG2 C 20.22 . 1 707 . 73 VAL N N 118.21 . 1 708 . 74 ARG H H 8.71 . 1 709 . 74 ARG HA H 4.06 . 1 710 . 74 ARG HB3 H 2.05 . 1 711 . 74 ARG HG3 H 1.89 . 1 712 . 74 ARG HD3 H 3.26 . 1 713 . 74 ARG CA C 58.07 . 1 714 . 74 ARG CB C 28.92 . 1 715 . 74 ARG CG C 26.18 . 1 716 . 74 ARG CD C 42.81 . 1 717 . 74 ARG N N 114.56 . 1 718 . 75 ALA H H 7.55 . 1 719 . 75 ALA HA H 4.21 . 1 720 . 75 ALA HB H 1.39 . 1 721 . 75 ALA CA C 52.21 . 1 722 . 75 ALA CB C 18.20 . 1 723 . 75 ALA N N 119.80 . 1 724 . 76 LEU H H 7.66 . 1 725 . 76 LEU HA H 3.82 . 1 726 . 76 LEU HB2 H 0.91 . 1 727 . 76 LEU HB3 H 1.08 . 1 728 . 76 LEU HG H 0.85 . 1 729 . 76 LEU HD1 H 0.49 . 1 730 . 76 LEU HD2 H 0.52 . 1 731 . 76 LEU CA C 54.94 . 1 732 . 76 LEU CB C 40.52 . 1 733 . 76 LEU CG C 26.71 . 1 734 . 76 LEU CD1 C 22.48 . 1 735 . 76 LEU CD2 C 20.73 . 1 736 . 76 LEU N N 115.60 . 1 737 . 77 PHE H H 6.82 . 1 738 . 77 PHE HA H 4.60 . 1 739 . 77 PHE HB2 H 2.62 . 1 740 . 77 PHE HB3 H 3.16 . 1 741 . 77 PHE HD1 H 7.14 . 3 742 . 77 PHE HE1 H 6.57 . 3 743 . 77 PHE HZ H 6.40 . 1 744 . 77 PHE CA C 56.51 . 1 745 . 77 PHE CB C 39.51 . 1 746 . 77 PHE CD1 C 132.20 . 3 747 . 77 PHE CE1 C 131.50 . 3 748 . 77 PHE CZ C 129.28 . 1 749 . 77 PHE N N 114.14 . 1 750 . 78 THR H H 8.67 . 1 751 . 78 THR HA H 4.19 . 1 752 . 78 THR HB H 4.21 . 1 753 . 78 THR HG2 H 1.20 . 1 754 . 78 THR CA C 62.61 . 1 755 . 78 THR CB C 68.69 . 1 756 . 78 THR CG2 C 21.49 . 1 757 . 78 THR N N 116.12 . 1 758 . 79 ARG H H 8.38 . 1 759 . 79 ARG HA H 4.50 . 1 760 . 79 ARG HB2 H 1.83 . 1 761 . 79 ARG HB3 H 1.95 . 1 762 . 79 ARG HG2 H 1.65 . 1 763 . 79 ARG HG3 H 1.75 . 1 764 . 79 ARG HD3 H 3.25 . 1 765 . 79 ARG CA C 54.99 . 1 766 . 79 ARG CB C 30.39 . 1 767 . 79 ARG CG C 26.57 . 1 768 . 79 ARG CD C 42.80 . 1 769 . 79 ARG N N 121.64 . 1 770 . 80 GLY H H 9.14 . 1 771 . 80 GLY HA2 H 3.60 . 1 772 . 80 GLY HA3 H 4.07 . 1 773 . 80 GLY CA C 46.49 . 1 774 . 80 GLY N N 115.08 . 1 775 . 81 GLU H H 9.44 . 1 776 . 81 GLU HA H 4.11 . 1 777 . 81 GLU HB3 H 1.97 . 1 778 . 81 GLU HG3 H 2.32 . 1 779 . 81 GLU CA C 58.81 . 1 780 . 81 GLU CB C 28.85 . 1 781 . 81 GLU CG C 35.57 . 1 782 . 81 GLU N N 120.19 . 1 783 . 82 ASP H H 7.20 . 1 784 . 82 ASP HA H 4.31 . 1 785 . 82 ASP HB3 H 2.89 . 1 786 . 82 ASP CA C 56.92 . 1 787 . 82 ASP CB C 39.76 . 1 788 . 82 ASP N N 119.98 . 1 789 . 83 ARG H H 7.59 . 1 790 . 83 ARG HA H 4.32 . 1 791 . 83 ARG HD3 H 3.42 . 1 792 . 83 ARG CA C 59.26 . 1 793 . 83 ARG CB C 29.63 . 1 794 . 83 ARG CG C 26.30 . 1 795 . 83 ARG CD C 43.25 . 1 796 . 83 ARG N N 120.39 . 1 797 . 84 ASP H H 8.50 . 1 798 . 84 ASP HA H 4.30 . 1 799 . 84 ASP HB3 H 2.63 . 1 800 . 84 ASP CA C 56.42 . 1 801 . 84 ASP CB C 39.56 . 1 802 . 84 ASP N N 119.56 . 1 803 . 85 ARG H H 7.67 . 1 804 . 85 ARG HA H 3.90 . 1 805 . 85 ARG HB2 H 1.90 . 1 806 . 85 ARG HB3 H 1.93 . 1 807 . 85 ARG HG2 H 1.53 . 1 808 . 85 ARG HG3 H 1.65 . 1 809 . 85 ARG HD3 H 3.20 . 1 810 . 85 ARG CA C 58.82 . 1 811 . 85 ARG CB C 30.37 . 1 812 . 85 ARG CG C 24.64 . 1 813 . 85 ARG CD C 43.06 . 1 814 . 85 ARG N N 120.00 . 1 815 . 86 PHE H H 7.99 . 1 816 . 86 PHE HA H 3.85 . 1 817 . 86 PHE HB2 H 2.47 . 1 818 . 86 PHE HB3 H 2.69 . 1 819 . 86 PHE HD1 H 6.97 . 3 820 . 86 PHE HE1 H 7.29 . 3 821 . 86 PHE CA C 61.08 . 1 822 . 86 PHE CB C 38.75 . 1 823 . 86 PHE CD1 C 132.61 . 3 824 . 86 PHE CE1 C 131.80 . 3 825 . 86 PHE N N 117.27 . 1 826 . 87 THR H H 8.55 . 1 827 . 87 THR HA H 3.70 . 1 828 . 87 THR HB H 4.33 . 1 829 . 87 THR HG2 H 1.30 . 1 830 . 87 THR CA C 65.84 . 1 831 . 87 THR CB C 68.12 . 1 832 . 87 THR CG2 C 20.99 . 1 833 . 87 THR N N 113.83 . 1 834 . 88 ARG H H 7.88 . 1 835 . 88 ARG HA H 4.51 . 1 836 . 88 ARG HB2 H 1.89 . 1 837 . 88 ARG HB3 H 2.00 . 1 838 . 88 ARG HD3 H 3.54 . 1 839 . 88 ARG CA C 57.27 . 1 840 . 88 ARG CB C 28.85 . 1 841 . 88 ARG CG C 26.90 . 1 842 . 88 ARG CD C 44.58 . 1 843 . 88 ARG N N 119.10 . 1 844 . 89 ARG H H 7.60 . 1 845 . 89 ARG HA H 4.35 . 1 846 . 89 ARG HB3 H 1.61 . 1 847 . 89 ARG HD2 H 3.16 . 1 848 . 89 ARG HD3 H 3.10 . 1 849 . 89 ARG CA C 55.98 . 1 850 . 89 ARG CB C 30.88 . 1 851 . 89 ARG CG C 28.59 . 1 852 . 89 ARG CD C 42.05 . 1 853 . 89 ARG N N 116.40 . 1 854 . 90 CYS H H 8.17 . 1 855 . 90 CYS HA H 3.83 . 1 856 . 90 CYS HB2 H 2.03 . 1 857 . 90 CYS HB3 H 2.54 . 1 858 . 90 CYS CA C 58.07 . 1 859 . 90 CYS CB C 25.55 . 1 860 . 90 CYS N N 118.31 . 1 861 . 91 GLY H H 8.32 . 1 862 . 91 GLY HA2 H 3.81 . 1 863 . 91 GLY HA3 H 4.19 . 1 864 . 91 GLY CA C 44.58 . 1 865 . 91 GLY N N 108.10 . 1 866 . 92 THR H H 7.42 . 1 867 . 92 THR HA H 4.49 . 1 868 . 92 THR HB H 4.19 . 1 869 . 92 THR HG2 H 1.12 . 1 870 . 92 THR CA C 61.43 . 1 871 . 92 THR CB C 70.17 . 1 872 . 92 THR CG2 C 20.47 . 1 873 . 92 THR N N 108.62 . 1 874 . 93 ASP H H 7.99 . 1 875 . 93 ASP HA H 4.49 . 1 876 . 93 ASP HB2 H 2.42 . 1 877 . 93 ASP HB3 H 2.77 . 1 878 . 93 ASP CA C 54.73 . 1 879 . 93 ASP CB C 40.88 . 1 880 . 93 ASP N N 124.35 . 1 881 . 94 THR H H 8.24 . 1 882 . 94 THR HA H 4.43 . 1 883 . 94 THR HB H 4.17 . 1 884 . 94 THR HG2 H 1.27 . 1 885 . 94 THR CA C 63.24 . 1 886 . 94 THR CB C 68.69 . 1 887 . 94 THR CG2 C 21.49 . 1 888 . 94 THR N N 117.27 . 1 889 . 95 VAL H H 9.06 . 1 890 . 95 VAL HA H 4.98 . 1 891 . 95 VAL HB H 2.03 . 1 892 . 95 VAL HG1 H 1.01 . 1 893 . 95 VAL HG2 H 1.06 . 1 894 . 95 VAL CA C 60.82 . 1 895 . 95 VAL CB C 32.25 . 1 896 . 95 VAL CG1 C 21.49 . 1 897 . 95 VAL CG2 C 21.60 . 1 898 . 95 VAL N N 130.50 . 1 899 . 96 VAL H H 8.99 . 1 900 . 96 VAL HA H 4.83 . 1 901 . 96 VAL HB H 2.08 . 1 902 . 96 VAL HG1 H 0.88 . 1 903 . 96 VAL HG2 H 0.77 . 1 904 . 96 VAL CA C 59.55 . 1 905 . 96 VAL CB C 32.79 . 1 906 . 96 VAL CG1 C 21.42 . 1 907 . 96 VAL CG2 C 20.73 . 1 908 . 96 VAL N N 126.64 . 1 909 . 97 LEU H H 9.24 . 1 910 . 97 LEU HA H 5.39 . 1 911 . 97 LEU HB2 H 1.51 . 1 912 . 97 LEU HB3 H 1.63 . 1 913 . 97 LEU HG H 1.69 . 1 914 . 97 LEU HD1 H 0.83 . 1 915 . 97 LEU HD2 H 0.77 . 1 916 . 97 LEU CA C 53.21 . 1 917 . 97 LEU CB C 44.58 . 1 918 . 97 LEU CG C 28.15 . 1 919 . 97 LEU CD1 C 25.80 . 1 920 . 97 LEU CD2 C 26.82 . 1 921 . 97 LEU N N 128.62 . 1 922 . 98 TYR H H 8.86 . 1 923 . 98 TYR HA H 5.76 . 1 924 . 98 TYR HB2 H 2.94 . 1 925 . 98 TYR HB3 H 3.36 . 1 926 . 98 TYR HD1 H 6.80 . 3 927 . 98 TYR HE1 H 7.38 . 3 928 . 98 TYR CA C 55.24 . 1 929 . 98 TYR CB C 43.06 . 1 930 . 98 TYR CD1 C 135.20 . 3 931 . 98 TYR CE1 C 133.00 . 3 932 . 98 TYR N N 115.19 . 1 933 . 99 ASP H H 8.50 . 1 934 . 99 ASP CA C 50.69 . 1 935 . 99 ASP CB C 41.65 . 1 936 . 99 ASP N N 123.73 . 1 937 . 100 GLU H H 9.17 . 1 938 . 100 GLU HA H 4.63 . 1 939 . 100 GLU HB3 H 2.19 . 1 940 . 100 GLU HG2 H 2.44 . 1 941 . 100 GLU HG3 H 2.53 . 1 942 . 100 GLU CA C 61.77 . 1 943 . 100 GLU CB C 28.59 . 1 944 . 100 GLU CG C 34.94 . 1 945 . 100 GLU N N 119.87 . 1 946 . 101 SER H H 8.48 . 1 947 . 101 SER HA H 5.02 . 1 948 . 101 SER HB2 H 3.86 . 1 949 . 101 SER HB3 H 4.10 . 1 950 . 101 SER CA C 57.56 . 1 951 . 101 SER CB C 64.33 . 1 952 . 101 SER N N 109.98 . 1 953 . 102 SER H H 9.60 . 1 954 . 102 SER HA H 4.43 . 1 955 . 102 SER HB3 H 3.83 . 1 956 . 102 SER CA C 57.27 . 1 957 . 102 SER CB C 63.12 . 1 958 . 102 SER N N 121.12 . 1 959 . 103 SER H H 8.51 . 1 960 . 103 SER HA H 4.76 . 1 961 . 103 SER HB2 H 3.82 . 1 962 . 103 SER HB3 H 3.90 . 1 963 . 103 SER CA C 57.56 . 1 964 . 103 SER CB C 64.12 . 1 965 . 103 SER N N 115.39 . 1 966 . 104 ASP H H 9.11 . 1 967 . 104 ASP HA H 4.63 . 1 968 . 104 ASP HB2 H 2.60 . 1 969 . 104 ASP HB3 H 2.75 . 1 970 . 104 ASP CA C 53.69 . 1 971 . 104 ASP CB C 40.53 . 1 972 . 104 ASP N N 122.90 . 1 973 . 105 TRP H H 8.02 . 1 974 . 105 TRP HA H 4.27 . 1 975 . 105 TRP HB2 H 2.81 . 1 976 . 105 TRP HB3 H 2.77 . 1 977 . 105 TRP HD1 H 7.06 . 1 978 . 105 TRP HE1 H 9.72 . 1 979 . 105 TRP HE3 H 7.22 . 1 980 . 105 TRP HZ2 H 7.20 . 1 981 . 105 TRP HZ3 H 6.85 . 1 982 . 105 TRP HH2 H 6.99 . 1 983 . 105 TRP CA C 57.73 . 1 984 . 105 TRP CB C 29.12 . 1 985 . 105 TRP CD1 C 127.06 . 1 986 . 105 TRP CE3 C 121.51 . 1 987 . 105 TRP CZ2 C 114.49 . 1 988 . 105 TRP CZ3 C 122.25 . 1 989 . 105 TRP CH2 C 124.47 . 1 990 . 105 TRP N N 120.81 . 1 991 . 105 TRP NE1 N 127.79 . 1 992 . 106 ASN H H 7.49 . 1 993 . 106 ASN HA H 4.29 . 1 994 . 106 ASN HB2 H 2.50 . 1 995 . 106 ASN HB3 H 2.63 . 1 996 . 106 ASN HD21 H 6.86 . 1 997 . 106 ASN HD22 H 7.89 . 1 998 . 106 ASN CA C 53.16 . 1 999 . 106 ASN CB C 39.51 . 1 1000 . 106 ASN N N 121.75 . 1 1001 . 106 ASN ND2 N 110.08 . 1 1002 . 107 GLU H H 8.46 . 1 1003 . 107 GLU HA H 3.68 . 1 1004 . 107 GLU HB3 H 1.96 . 1 1005 . 107 GLU HG3 H 2.22 . 1 1006 . 107 GLU CA C 57.28 . 1 1007 . 107 GLU CB C 28.85 . 1 1008 . 107 GLU CG C 35.70 . 1 1009 . 107 GLU N N 120.50 . 1 1010 . 108 ASN H H 8.36 . 1 1011 . 108 ASN HA H 4.63 . 1 1012 . 108 ASN HB2 H 2.65 . 1 1013 . 108 ASN HB3 H 2.75 . 1 1014 . 108 ASN HD21 H 6.93 . 1 1015 . 108 ASN HD22 H 7.53 . 1 1016 . 108 ASN CA C 53.47 . 1 1017 . 108 ASN CB C 38.24 . 1 1018 . 108 ASN N N 117.17 . 1 1019 . 108 ASN ND2 N 113.21 . 1 1020 . 109 THR H H 7.79 . 1 1021 . 109 THR HA H 4.26 . 1 1022 . 109 THR HB H 4.18 . 1 1023 . 109 THR HG2 H 1.08 . 1 1024 . 109 THR CA C 61.33 . 1 1025 . 109 THR CB C 68.76 . 1 1026 . 109 THR CG2 C 20.98 . 1 1027 . 109 THR N N 111.02 . 1 1028 . 110 GLY H H 8.08 . 1 1029 . 110 GLY HA2 H 3.67 . 1 1030 . 110 GLY HA3 H 3.98 . 1 1031 . 110 GLY CA C 44.84 . 1 1032 . 110 GLY N N 111.02 . 1 1033 . 111 GLY H H 8.11 . 1 1034 . 111 GLY HA2 H 3.99 . 1 1035 . 111 GLY HA3 H 3.94 . 1 1036 . 111 GLY CA C 45.09 . 1 1037 . 111 GLY N N 108.73 . 1 1038 . 112 GLU H H 8.27 . 1 1039 . 112 GLU HA H 4.40 . 1 1040 . 112 GLU HB3 H 1.86 . 1 1041 . 112 GLU HG2 H 2.13 . 1 1042 . 112 GLU HG3 H 2.19 . 1 1043 . 112 GLU CA C 55.49 . 1 1044 . 112 GLU CB C 29.10 . 1 1045 . 112 GLU CG C 35.70 . 1 1046 . 112 GLU N N 118.42 . 1 1047 . 113 SER H H 7.84 . 1 1048 . 113 SER HA H 4.50 . 1 1049 . 113 SER HB2 H 3.95 . 1 1050 . 113 SER HB3 H 4.21 . 1 1051 . 113 SER CA C 56.13 . 1 1052 . 113 SER CB C 64.62 . 1 1053 . 113 SER N N 115.71 . 1 1054 . 114 LEU H H 8.77 . 1 1055 . 114 LEU HA H 3.95 . 1 1056 . 114 LEU HB2 H 1.59 . 1 1057 . 114 LEU HB3 H 1.71 . 1 1058 . 114 LEU HG H 1.49 . 1 1059 . 114 LEU HD1 H 0.85 . 1 1060 . 114 LEU HD2 H 0.90 . 1 1061 . 114 LEU CA C 57.78 . 1 1062 . 114 LEU CB C 40.02 . 1 1063 . 114 LEU CG C 26.31 . 1 1064 . 114 LEU CD1 C 25.55 . 1 1065 . 114 LEU CD2 C 23.79 . 1 1066 . 114 LEU N N 124.66 . 1 1067 . 115 LEU H H 8.25 . 1 1068 . 115 LEU HA H 3.80 . 1 1069 . 115 LEU CA C 58.53 . 1 1070 . 115 LEU CB C 41.79 . 1 1071 . 115 LEU CG C 25.46 . 1 1072 . 115 LEU CD1 C 24.12 . 1 1073 . 115 LEU CD2 C 24.00 . 1 1074 . 115 LEU N N 117.27 . 1 1075 . 116 GLY H H 7.93 . 1 1076 . 116 GLY HA2 H 3.38 . 1 1077 . 116 GLY HA3 H 3.88 . 1 1078 . 116 GLY CA C 46.57 . 1 1079 . 116 GLY N N 131.64 . 1 1080 . 117 LEU H H 8.31 . 1 1081 . 117 LEU HA H 4.07 . 1 1082 . 117 LEU HB3 H 1.85 . 1 1083 . 117 LEU HG H 1.34 . 1 1084 . 117 LEU HD1 H 0.81 . 1 1085 . 117 LEU HD2 H 0.75 . 1 1086 . 117 LEU CA C 57.02 . 1 1087 . 117 LEU CB C 41.89 . 1 1088 . 117 LEU CG C 26.57 . 1 1089 . 117 LEU CD1 C 23.71 . 1 1090 . 117 LEU CD2 C 24.79 . 1 1091 . 117 LEU N N 122.27 . 1 1092 . 118 LEU H H 8.40 . 1 1093 . 118 LEU HA H 3.91 . 1 1094 . 118 LEU HB2 H 1.31 . 1 1095 . 118 LEU HB3 H 1.67 . 1 1096 . 118 LEU HG H 1.67 . 1 1097 . 118 LEU HD1 H 0.72 . 1 1098 . 118 LEU HD2 H 0.62 . 1 1099 . 118 LEU CA C 56.74 . 1 1100 . 118 LEU CB C 41.29 . 1 1101 . 118 LEU CG C 26.23 . 1 1102 . 118 LEU CD1 C 24.89 . 1 1103 . 118 LEU CD2 C 24.03 . 1 1104 . 118 LEU N N 119.56 . 1 1105 . 119 LEU H H 8.63 . 1 1106 . 119 LEU HA H 3.71 . 1 1107 . 119 LEU HB3 H 1.51 . 1 1108 . 119 LEU HD1 H 0.81 . 1 1109 . 119 LEU HD2 H 0.62 . 1 1110 . 119 LEU CA C 58.03 . 1 1111 . 119 LEU CB C 41.28 . 1 1112 . 119 LEU CG C 24.30 . 1 1113 . 119 LEU CD1 C 23.87 . 1 1114 . 119 LEU CD2 C 24.79 . 1 1115 . 119 LEU N N 120.19 . 1 1116 . 120 LYS H H 7.67 . 1 1117 . 120 LYS HA H 3.94 . 1 1118 . 120 LYS HB3 H 1.95 . 1 1119 . 120 LYS CA C 59.14 . 1 1120 . 120 LYS CB C 31.86 . 1 1121 . 120 LYS CG C 24.57 . 1 1122 . 120 LYS CD C 28.61 . 1 1123 . 120 LYS CE C 41.74 . 1 1124 . 120 LYS N N 117.00 . 1 1125 . 121 LYS H H 7.91 . 1 1126 . 121 LYS HA H 4.17 . 1 1127 . 121 LYS HB3 H 1.90 . 1 1128 . 121 LYS HG3 H 1.47 . 1 1129 . 121 LYS CA C 57.82 . 1 1130 . 121 LYS CB C 31.39 . 1 1131 . 121 LYS CG C 24.14 . 1 1132 . 121 LYS CD C 27.83 . 1 1133 . 121 LYS CE C 41.65 . 1 1134 . 121 LYS N N 118.83 . 1 1135 . 122 LEU H H 8.65 . 1 1136 . 122 LEU HA H 3.97 . 1 1137 . 122 LEU HB3 H 1.89 . 1 1138 . 122 LEU HG H 1.19 . 1 1139 . 122 LEU CA C 57.70 . 1 1140 . 122 LEU CB C 40.45 . 1 1141 . 122 LEU CG C 26.68 . 1 1142 . 122 LEU CD1 C 23.36 . 1 1143 . 122 LEU CD2 C 23.26 . 1 1144 . 122 LEU N N 117.48 . 1 1145 . 123 LYS H H 8.12 . 1 1146 . 123 LYS HA H 4.21 . 1 1147 . 123 LYS HB3 H 1.98 . 1 1148 . 123 LYS HG3 H 1.63 . 1 1149 . 123 LYS HD3 H 1.63 . 1 1150 . 123 LYS HE3 H 3.24 . 1 1151 . 123 LYS CA C 57.94 . 1 1152 . 123 LYS CB C 29.12 . 1 1153 . 123 LYS CG C 25.55 . 1 1154 . 123 LYS CD C 26.59 . 1 1155 . 123 LYS CE C 42.73 . 1 1156 . 123 LYS N N 119.98 . 1 1157 . 124 ASP H H 8.62 . 1 1158 . 124 ASP HA H 4.46 . 1 1159 . 124 ASP HB2 H 2.76 . 1 1160 . 124 ASP HB3 H 3.01 . 1 1161 . 124 ASP CA C 57.27 . 1 1162 . 124 ASP CB C 39.51 . 1 1163 . 124 ASP N N 123.00 . 1 1164 . 125 GLU H H 7.65 . 1 1165 . 125 GLU CA C 56.14 . 1 1166 . 125 GLU CB C 29.13 . 1 1167 . 125 GLU CG C 36.25 . 1 1168 . 125 GLU N N 117.00 . 1 1169 . 126 GLY H H 7.96 . 1 1170 . 126 GLY HA2 H 3.76 . 1 1171 . 126 GLY HA3 H 4.26 . 1 1172 . 126 GLY CA C 44.84 . 1 1173 . 126 GLY N N 106.96 . 1 1174 . 127 CYS H H 8.15 . 1 1175 . 127 CYS HA H 4.33 . 1 1176 . 127 CYS HB2 H 2.54 . 1 1177 . 127 CYS HB3 H 2.70 . 1 1178 . 127 CYS CA C 58.03 . 1 1179 . 127 CYS CB C 27.59 . 1 1180 . 127 CYS N N 119.35 . 1 1181 . 128 ARG H H 9.15 . 1 1182 . 128 ARG HA H 4.21 . 1 1183 . 128 ARG HB3 H 1.86 . 1 1184 . 128 ARG HG2 H 1.55 . 1 1185 . 128 ARG HG3 H 1.65 . 1 1186 . 128 ARG HD2 H 3.21 . 1 1187 . 128 ARG HD3 H 3.24 . 1 1188 . 128 ARG CA C 54.84 . 1 1189 . 128 ARG CB C 29.10 . 1 1190 . 128 ARG CG C 28.09 . 1 1191 . 128 ARG CD C 42.74 . 1 1192 . 128 ARG N N 128.73 . 1 1193 . 129 ALA H H 7.00 . 1 1194 . 129 ALA HA H 5.50 . 1 1195 . 129 ALA HB H 1.03 . 1 1196 . 129 ALA CA C 49.32 . 1 1197 . 129 ALA CB C 22.01 . 1 1198 . 129 ALA N N 126.02 . 1 1199 . 130 PHE H H 8.64 . 1 1200 . 130 PHE HA H 4.97 . 1 1201 . 130 PHE HB2 H 2.27 . 1 1202 . 130 PHE HB3 H 2.81 . 1 1203 . 130 PHE HD1 H 6.83 . 3 1204 . 130 PHE HE1 H 7.19 . 3 1205 . 130 PHE CA C 55.24 . 1 1206 . 130 PHE CB C 44.33 . 1 1207 . 130 PHE CD1 C 133.00 . 3 1208 . 130 PHE CE1 C 130.40 . 3 1209 . 130 PHE N N 117.58 . 1 1210 . 131 TYR H H 8.54 . 1 1211 . 131 TYR HA H 6.28 . 1 1212 . 131 TYR HB2 H 2.67 . 1 1213 . 131 TYR HB3 H 3.13 . 1 1214 . 131 TYR HD1 H 6.85 . 3 1215 . 131 TYR HE1 H 6.72 . 3 1216 . 131 TYR CA C 53.97 . 1 1217 . 131 TYR CB C 41.54 . 1 1218 . 131 TYR CD1 C 134.10 . 3 1219 . 131 TYR CE1 C 119.57 . 3 1220 . 131 TYR N N 116.44 . 1 1221 . 132 LEU H H 8.16 . 1 1222 . 132 LEU HA H 4.25 . 1 1223 . 132 LEU HB3 H 1.69 . 1 1224 . 132 LEU HG H 1.16 . 1 1225 . 132 LEU HD1 H 0.81 . 1 1226 . 132 LEU CA C 52.74 . 1 1227 . 132 LEU CB C 45.04 . 1 1228 . 132 LEU CG C 26.33 . 1 1229 . 132 LEU CD1 C 23.48 . 1 1230 . 132 LEU CD2 C 23.38 . 1 1231 . 132 LEU N N 121.00 . 1 1232 . 133 GLU H H 9.18 . 1 1233 . 133 GLU HA H 4.25 . 1 1234 . 133 GLU CA C 58.41 . 1 1235 . 133 GLU CB C 28.83 . 1 1236 . 133 GLU CG C 35.27 . 1 1237 . 133 GLU N N 107.06 . 1 1238 . 134 GLY H H 9.29 . 1 1239 . 134 GLY HA2 H 3.53 . 1 1240 . 134 GLY HA3 H 3.47 . 1 1241 . 134 GLY CA C 44.58 . 1 1242 . 134 GLY N N 118.31 . 1 1243 . 135 GLY H H 7.91 . 1 1244 . 135 GLY HA2 H 4.15 . 1 1245 . 135 GLY HA3 H 4.27 . 1 1246 . 135 GLY CA C 45.34 . 1 1247 . 135 GLY N N 131.12 . 1 1248 . 136 PHE H H 9.56 . 1 1249 . 136 PHE HA H 4.08 . 1 1250 . 136 PHE HD1 H 6.77 . 3 1251 . 136 PHE HE1 H 7.10 . 3 1252 . 136 PHE CA C 61.63 . 1 1253 . 136 PHE CB C 39.19 . 1 1254 . 136 PHE N N 118.83 . 1 1255 . 137 SER H H 9.40 . 1 1256 . 137 SER HA H 4.07 . 1 1257 . 137 SER HB3 H 3.44 . 1 1258 . 137 SER CA C 61.41 . 1 1259 . 137 SER CB C 63.42 . 1 1260 . 137 SER N N 118.83 . 1 1261 . 138 LYS H H 7.10 . 1 1262 . 138 LYS HA H 4.15 . 1 1263 . 138 LYS HB3 H 1.81 . 1 1264 . 138 LYS HG3 H 1.48 . 1 1265 . 138 LYS HD3 H 1.57 . 1 1266 . 138 LYS CA C 58.37 . 1 1267 . 138 LYS CB C 32.88 . 1 1268 . 138 LYS CG C 24.91 . 1 1269 . 138 LYS CD C 28.82 . 1 1270 . 138 LYS CE C 41.85 . 1 1271 . 138 LYS N N 120.60 . 1 1272 . 139 PHE H H 7.77 . 1 1273 . 139 PHE HA H 3.72 . 1 1274 . 139 PHE HB2 H 2.62 . 1 1275 . 139 PHE HB3 H 2.87 . 1 1276 . 139 PHE HD1 H 6.81 . 3 1277 . 139 PHE HZ H 7.19 . 1 1278 . 139 PHE CA C 62.60 . 1 1279 . 139 PHE CB C 39.51 . 1 1280 . 139 PHE CD1 C 131.90 . 3 1281 . 139 PHE CZ C 128.97 . 1 1282 . 139 PHE N N 119.25 . 1 1283 . 140 GLN H H 8.97 . 1 1284 . 140 GLN HA H 3.39 . 1 1285 . 140 GLN HB2 H 0.98 . 1 1286 . 140 GLN HB3 H 1.40 . 1 1287 . 140 GLN HG2 H 2.04 . 1 1288 . 140 GLN HG3 H 2.12 . 1 1289 . 140 GLN HE21 H 6.83 . 1 1290 . 140 GLN HE22 H 7.36 . 1 1291 . 140 GLN CA C 57.35 . 1 1292 . 140 GLN CB C 26.62 . 1 1293 . 140 GLN CG C 32.91 . 1 1294 . 140 GLN N N 117.27 . 1 1295 . 140 GLN NE2 N 111.23 . 1 1296 . 141 ALA H H 6.87 . 1 1297 . 141 ALA HA H 3.91 . 1 1298 . 141 ALA HB H 1.42 . 1 1299 . 141 ALA CA C 53.56 . 1 1300 . 141 ALA CB C 17.76 . 1 1301 . 141 ALA N N 117.37 . 1 1302 . 142 GLU H H 6.89 . 1 1303 . 142 GLU HA H 3.89 . 1 1304 . 142 GLU HB2 H 0.91 . 1 1305 . 142 GLU HB3 H 1.14 . 1 1306 . 142 GLU HG2 H 1.65 . 1 1307 . 142 GLU HG3 H 2.02 . 1 1308 . 142 GLU CA C 56.77 . 1 1309 . 142 GLU CB C 31.39 . 1 1310 . 142 GLU CG C 35.57 . 1 1311 . 142 GLU N N 114.70 . 1 1312 . 143 PHE H H 8.30 . 1 1313 . 143 PHE HA H 4.84 . 1 1314 . 143 PHE HB2 H 1.16 . 1 1315 . 143 PHE HB3 H 2.67 . 1 1316 . 143 PHE HD1 H 6.59 . 3 1317 . 143 PHE HE1 H 7.04 . 3 1318 . 143 PHE HZ H 7.14 . 1 1319 . 143 PHE CA C 55.49 . 1 1320 . 143 PHE CB C 37.73 . 1 1321 . 143 PHE CD1 C 133.78 . 3 1322 . 143 PHE CE1 C 131.10 . 3 1323 . 143 PHE CZ C 129.30 . 1 1324 . 143 PHE N N 119.35 . 1 1325 . 144 SER H H 7.91 . 1 1326 . 144 SER HA H 4.12 . 1 1327 . 144 SER HB3 H 3.19 . 1 1328 . 144 SER CA C 62.60 . 1 1329 . 144 SER CB C 64.63 . 1 1330 . 144 SER N N 116.54 . 1 1331 . 145 LEU H H 7.89 . 1 1332 . 145 LEU HA H 3.82 . 1 1333 . 145 LEU HB2 H 1.58 . 1 1334 . 145 LEU HB3 H 1.79 . 1 1335 . 145 LEU HG H 1.53 . 1 1336 . 145 LEU HD1 H 0.83 . 1 1337 . 145 LEU CA C 57.76 . 1 1338 . 145 LEU CB C 40.27 . 1 1339 . 145 LEU CG C 26.42 . 1 1340 . 145 LEU CD1 C 23.75 . 1 1341 . 145 LEU CD2 C 23.89 . 1 1342 . 145 LEU N N 121.75 . 1 1343 . 146 HIS H H 7.89 . 1 1344 . 146 HIS HA H 4.07 . 1 1345 . 146 HIS HD2 H 6.59 . 1 1346 . 146 HIS HE1 H 6.88 . 1 1347 . 146 HIS CA C 58.29 . 1 1348 . 146 HIS CB C 29.09 . 1 1349 . 146 HIS N N 116.54 . 1 1350 . 147 CYS H H 7.68 . 1 1351 . 147 CYS HA H 5.25 . 1 1352 . 147 CYS HB2 H 2.73 . 1 1353 . 147 CYS HB3 H 3.21 . 1 1354 . 147 CYS CA C 58.10 . 1 1355 . 147 CYS CB C 28.29 . 1 1356 . 147 CYS N N 117.00 . 1 1357 . 148 GLU H H 8.97 . 1 1358 . 148 GLU HA H 4.62 . 1 1359 . 148 GLU HB2 H 1.56 . 1 1360 . 148 GLU HB3 H 1.65 . 1 1361 . 148 GLU HG3 H 1.95 . 1 1362 . 148 GLU CA C 53.47 . 1 1363 . 148 GLU CB C 32.14 . 1 1364 . 148 GLU CG C 35.17 . 1 1365 . 148 GLU N N 122.89 . 1 1366 . 149 THR H H 8.34 . 1 1367 . 149 THR HA H 4.45 . 1 1368 . 149 THR HB H 4.13 . 1 1369 . 149 THR HG2 H 1.19 . 1 1370 . 149 THR CA C 59.52 . 1 1371 . 149 THR CB C 70.33 . 1 1372 . 149 THR CG2 C 19.54 . 1 1373 . 149 THR N N 116.23 . 1 1374 . 150 ASN H H 8.49 . 1 1375 . 150 ASN HA H 4.84 . 1 1376 . 150 ASN HB2 H 2.83 . 1 1377 . 150 ASN HB3 H 2.99 . 1 1378 . 150 ASN HD21 H 6.93 . 1 1379 . 150 ASN HD22 H 7.69 . 1 1380 . 150 ASN CA C 52.45 . 1 1381 . 150 ASN CB C 38.21 . 1 1382 . 150 ASN N N 122.27 . 1 1383 . 150 ASN ND2 N 111.23 . 1 1384 . 151 LEU H H 8.42 . 1 1385 . 151 LEU HA H 4.37 . 1 1386 . 151 LEU HB3 H 1.63 . 1 1387 . 151 LEU HG H 1.20 . 1 1388 . 151 LEU HD1 H 0.90 . 1 1389 . 151 LEU HD2 H 0.82 . 1 1390 . 151 LEU CA C 55.27 . 1 1391 . 151 LEU CB C 41.76 . 1 1392 . 151 LEU CG C 26.54 . 1 1393 . 151 LEU CD1 C 24.38 . 1 1394 . 151 LEU CD2 C 23.11 . 1 1395 . 151 LEU N N 123.21 . 1 1396 . 152 ASP H H 8.12 . 1 1397 . 152 ASP HA H 4.60 . 1 1398 . 152 ASP HB2 H 3.17 . 1 1399 . 152 ASP HB3 H 3.29 . 1 1400 . 152 ASP CA C 55.94 . 1 1401 . 152 ASP CB C 41.28 . 1 1402 . 152 ASP N N 122.69 . 1 1403 . 153 GLY H H 8.28 . 1 1404 . 153 GLY HA3 H 3.97 . 1 1405 . 153 GLY CA C 45.82 . 1 1406 . 153 GLY N N 109.77 . 1 1407 . 154 SER H H 7.93 . 1 1408 . 154 SER CA C 59.83 . 1 1409 . 154 SER CB C 65.00 . 1 1410 . 154 SER N N 121.02 . 1 stop_ save_