data_6382 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Xenopus prion protein. ; _BMRB_accession_number 6382 _BMRB_flat_file_name bmr6382.str _Entry_type original _Submission_date 2004-11-10 _Accession_date 2004-11-10 _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 Perez Daniel R. . 2 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 800 "13C chemical shifts" 416 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-08 original BMRB . stop_ _Original_release_date 2004-11-10 save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignment of the Xenopus leavis prion protein fragment xlPrP(98-226) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . 2 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 260 _Page_last 260 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'prion protein' _Abbreviation_common 'prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prion protein' $prion_protein_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic yes _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prion_protein_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common prion _Name_variant 'prion protein' _Abbreviation_common 'prion protein' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GSGYNKQWKPPKSKTNMKSV AIGAAAGAIGGYMLGNAVGR MSYQFNNPMESRYYNDYYNQ MPNRVYRPMYRGEEYVSEDR FVRDCYNMSVTEYIIKPAEG KNNSELNQLDTTVKSQIIRE MCITEYRRGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 97 GLY 2 98 SER 3 99 GLY 4 100 TYR 5 101 ASN 6 102 LYS 7 103 GLN 8 104 TRP 9 105 LYS 10 106 PRO 11 107 PRO 12 108 LYS 13 109 SER 14 110 LYS 15 111 THR 16 112 ASN 17 113 MET 18 114 LYS 19 115 SER 20 116 VAL 21 117 ALA 22 118 ILE 23 119 GLY 24 120 ALA 25 121 ALA 26 122 ALA 27 123 GLY 28 124 ALA 29 125 ILE 30 126 GLY 31 127 GLY 32 128 TYR 33 129 MET 34 130 LEU 35 131 GLY 36 132 ASN 37 133 ALA 38 134 VAL 39 135 GLY 40 136 ARG 41 137 MET 42 138 SER 43 139 TYR 44 140 GLN 45 141 PHE 46 142 ASN 47 143 ASN 48 144 PRO 49 145 MET 50 146 GLU 51 147 SER 52 148 ARG 53 149 TYR 54 150 TYR 55 151 ASN 56 152 ASP 57 153 TYR 58 154 TYR 59 155 ASN 60 156 GLN 61 157 MET 62 158 PRO 63 159 ASN 64 160 ARG 65 161 VAL 66 162 TYR 67 163 ARG 68 164 PRO 69 165 MET 70 166 TYR 71 167 ARG 72 168 GLY 73 169 GLU 74 170 GLU 75 171 TYR 76 172 VAL 77 173 SER 78 174 GLU 79 175 ASP 80 176 ARG 81 177 PHE 82 178 VAL 83 179 ARG 84 180 ASP 85 181 CYS 86 182 TYR 87 183 ASN 88 184 MET 89 185 SER 90 186 VAL 91 187 THR 92 188 GLU 93 189 TYR 94 190 ILE 95 191 ILE 96 192 LYS 97 193 PRO 98 194 ALA 99 195 GLU 100 196 GLY 101 197 LYS 102 198 ASN 103 199 ASN 104 200 SER 105 201 GLU 106 202 LEU 107 203 ASN 108 204 GLN 109 205 LEU 110 206 ASP 111 207 THR 112 208 THR 113 209 VAL 114 210 LYS 115 211 SER 116 212 GLN 117 213 ILE 118 214 ILE 119 215 ARG 120 216 GLU 121 217 MET 122 218 CYS 123 219 ILE 124 220 THR 125 221 GLU 126 222 TYR 127 223 ARG 128 224 ARG 129 225 GLY 130 226 SER stop_ _Sequence_homology_query_date 2010-09-18 _Sequence_homology_query_revised_last_date 2009-10-07 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 1XU0 'Solution Structure Of Xenopus Leavis Prion Protein' 100.00 130 100.00 100.00 1.76e-70 EMBL CAC86159 'prion protein [Xenopus laevis]' 99.23 216 99.22 99.22 1.75e-69 GB AAH94089 'Prnp protein [Xenopus laevis]' 99.23 216 100.00 100.00 5.77e-70 GB AAV54126 'prion protein [Xenopus laevis]' 99.23 171 100.00 100.00 1.53e-69 REF NP_001082180 'prion protein [Xenopus laevis]' 99.23 216 99.22 99.22 1.75e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $prion_protein_polypeptide 'African clawed frog' 8355 Eukaryota Metazoa Xenopus leavis 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 $prion_protein_polypeptide 'recombinant technology' 'E. coli' Eschericia coli BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion_protein_polypeptide 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HCcH_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCcH TOCSY' _Sample_label $sample_1 save_ save_HCcH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCcH COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.1 pH temperature 293.15 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HNCACB CBCACONH 'HCcH TOCSY' 'HCcH COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'prion protein' _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 98 2 SER N N 115.3 0.4 1 2 98 2 SER H H 8.61 0.02 1 3 98 2 SER CA C 58.5 0.4 1 4 98 2 SER HA H 4.36 0.02 1 5 98 2 SER CB C 64.2 0.4 1 6 98 2 SER HB2 H 3.72 0.02 2 7 98 2 SER HB3 H 3.69 0.02 2 8 99 3 GLY N N 110.5 0.4 1 9 99 3 GLY H H 8.41 0.02 1 10 99 3 GLY CA C 45.4 0.4 1 11 99 3 GLY HA2 H 3.77 0.02 1 12 99 3 GLY HA3 H 3.77 0.02 1 13 100 4 TYR N N 120.0 0.4 1 14 100 4 TYR H H 8.02 0.02 1 15 100 4 TYR CA C 58.2 0.4 1 16 100 4 TYR HA H 4.38 0.02 1 17 100 4 TYR CB C 39.0 0.4 1 18 100 4 TYR HB2 H 2.79 0.02 2 19 100 4 TYR HB3 H 2.85 0.02 2 20 100 4 TYR HD1 H 6.93 0.02 1 21 100 4 TYR HD2 H 6.93 0.02 1 22 100 4 TYR HE1 H 6.66 0.02 1 23 100 4 TYR HE2 H 6.66 0.02 1 24 100 4 TYR CD1 C 132.3 0.4 1 25 100 4 TYR CE1 C 117.3 0.4 1 26 101 5 ASN N N 121.1 0.4 1 27 101 5 ASN H H 8.21 0.02 1 28 101 5 ASN CA C 53.1 0.4 1 29 101 5 ASN HA H 4.49 0.02 1 30 101 5 ASN CB C 39.0 0.4 1 31 101 5 ASN HB2 H 2.54 0.02 2 32 101 5 ASN HB3 H 2.62 0.02 2 33 101 5 ASN ND2 N 112.3 0.4 1 34 101 5 ASN HD21 H 7.44 0.02 2 35 101 5 ASN HD22 H 6.79 0.02 2 36 102 6 LYS N N 121.7 0.4 1 37 102 6 LYS H H 8.11 0.02 1 38 102 6 LYS CA C 57.0 0.4 1 39 102 6 LYS HA H 4.06 0.02 1 40 102 6 LYS CB C 33.1 0.4 1 41 102 6 LYS HB2 H 1.59 0.02 2 42 102 6 LYS HB3 H 1.66 0.02 2 43 102 6 LYS CG C 25.1 0.4 1 44 102 6 LYS HG2 H 1.23 0.02 2 45 102 6 LYS HG3 H 1.26 0.02 2 46 102 6 LYS CD C 29.2 0.4 1 47 102 6 LYS HD2 H 1.53 0.02 1 48 102 6 LYS HD3 H 1.53 0.02 1 49 102 6 LYS CE C 42.3 0.4 1 50 102 6 LYS HE2 H 2.81 0.02 1 51 102 6 LYS HE3 H 2.81 0.02 1 52 103 7 GLN N N 120.1 0.4 1 53 103 7 GLN H H 8.18 0.02 1 54 103 7 GLN CA C 55.9 0.4 1 55 103 7 GLN HA H 4.19 0.02 1 56 103 7 GLN CB C 29.5 0.4 1 57 103 7 GLN HB2 H 1.82 0.02 2 58 103 7 GLN HB3 H 1.93 0.02 2 59 103 7 GLN CG C 34.1 0.4 1 60 103 7 GLN HG2 H 2.18 0.02 1 61 103 7 GLN HG3 H 2.18 0.02 1 62 103 7 GLN NE2 N 112.1 0.4 1 63 103 7 GLN HE21 H 7.41 0.02 2 64 103 7 GLN HE22 H 6.76 0.02 2 65 104 8 TRP N N 123.5 0.4 1 66 104 8 TRP H H 8.11 0.02 1 67 104 8 TRP CA C 58.3 0.4 1 68 104 8 TRP HA H 4.38 0.02 1 69 104 8 TRP CB C 29.8 0.4 1 70 104 8 TRP HB2 H 3.07 0.02 1 71 104 8 TRP HB3 H 3.07 0.02 1 72 104 8 TRP CD1 C 126.4 0.4 1 73 104 8 TRP CE3 C 119.8 0.4 1 74 104 8 TRP NE1 N 129.1 0.4 1 75 104 8 TRP HD1 H 7.11 0.02 1 76 104 8 TRP HE3 H 7.39 0.02 1 77 104 8 TRP CZ3 C 121.0 0.4 1 78 104 8 TRP HE1 H 9.98 0.02 1 79 104 8 TRP HZ3 H 6.97 0.02 1 80 104 8 TRP CH2 C 123.6 0.4 1 81 104 8 TRP HZ2 H 7.34 0.02 1 82 104 8 TRP HH2 H 7.10 0.02 1 83 105 9 LYS N N 125.7 0.4 1 84 105 9 LYS H H 7.59 0.02 1 85 105 9 LYS CA C 53.2 0.4 1 86 105 9 LYS HA H 4.26 0.02 1 87 105 9 LYS CB C 33.5 0.4 1 88 105 9 LYS HB2 H 1.31 0.02 2 89 105 9 LYS HB3 H 1.46 0.02 2 90 105 9 LYS CG C 24.6 0.4 1 91 105 9 LYS HG2 H 1.11 0.02 2 92 105 9 LYS HG3 H 1.15 0.02 2 93 105 9 LYS CE C 42.2 0.4 1 94 105 9 LYS HE2 H 2.77 0.02 1 95 105 9 LYS HE3 H 2.77 0.02 1 96 106 10 PRO CD C 50.8 0.4 1 97 106 10 PRO CA C 62.9 0.4 1 98 106 10 PRO HA H 4.23 0.02 1 99 106 10 PRO CB C 32.4 0.4 1 100 106 10 PRO HB2 H 1.78 0.02 2 101 106 10 PRO HB3 H 2.14 0.02 2 102 106 10 PRO CG C 27.6 0.4 1 103 106 10 PRO HG2 H 1.90 0.02 1 104 106 10 PRO HG3 H 1.90 0.02 1 105 106 10 PRO HD2 H 3.53 0.02 2 106 106 10 PRO HD3 H 3.60 0.02 2 107 107 11 PRO CD C 50.5 0.4 1 108 107 11 PRO CA C 61.3 0.4 1 109 107 11 PRO HA H 4.05 0.02 1 110 107 11 PRO CB C 31.0 0.4 1 111 107 11 PRO HB2 H 1.66 0.02 2 112 107 11 PRO HB3 H 2.13 0.02 2 113 107 11 PRO CG C 27.5 0.4 1 114 107 11 PRO HG2 H 1.79 0.02 1 115 107 11 PRO HG3 H 1.79 0.02 1 116 107 11 PRO HD2 H 3.26 0.02 2 117 107 11 PRO HD3 H 3.29 0.02 2 118 108 12 LYS N N 121.3 0.4 1 119 108 12 LYS H H 8.29 0.02 1 120 108 12 LYS CA C 56.6 0.4 1 121 108 12 LYS HA H 4.11 0.02 1 122 108 12 LYS CB C 33.2 0.4 1 123 108 12 LYS HB2 H 1.60 0.02 2 124 108 12 LYS HB3 H 1.66 0.02 2 125 108 12 LYS CG C 25.1 0.4 1 126 108 12 LYS HG2 H 1.27 0.02 2 127 108 12 LYS HG3 H 1.31 0.02 2 128 108 12 LYS CD C 29.2 0.4 1 129 108 12 LYS HD2 H 1.53 0.02 1 130 108 12 LYS HD3 H 1.53 0.02 1 131 108 12 LYS CE C 42.2 0.4 1 132 108 12 LYS HE2 H 2.84 0.02 1 133 108 12 LYS HE3 H 2.84 0.02 1 134 109 13 SER N N 117.1 0.4 1 135 109 13 SER H H 8.23 0.02 1 136 109 13 SER CA C 58.3 0.4 1 137 109 13 SER HA H 4.29 0.02 1 138 109 13 SER CB C 64.2 0.4 1 139 109 13 SER HB2 H 3.69 0.02 2 140 109 13 SER HB3 H 3.73 0.02 2 141 110 14 LYS N N 123.3 0.4 1 142 110 14 LYS H H 8.42 0.02 1 143 110 14 LYS CA C 56.7 0.4 1 144 110 14 LYS HA H 4.26 0.02 1 145 110 14 LYS CB C 33.3 0.4 1 146 110 14 LYS HB2 H 1.63 0.02 2 147 110 14 LYS HB3 H 1.75 0.02 2 148 110 14 LYS CG C 25.1 0.4 1 149 110 14 LYS HG2 H 1.29 0.02 2 150 110 14 LYS HG3 H 1.34 0.02 2 151 110 14 LYS CD C 29.2 0.4 1 152 110 14 LYS HD2 H 1.55 0.02 1 153 110 14 LYS HD3 H 1.55 0.02 1 154 110 14 LYS CE C 42.4 0.4 1 155 110 14 LYS HE2 H 2.86 0.02 1 156 110 14 LYS HE3 H 2.86 0.02 1 157 111 15 THR N N 114.9 0.4 1 158 111 15 THR H H 8.07 0.02 1 159 111 15 THR CA C 62.1 0.4 1 160 111 15 THR HA H 4.17 0.02 1 161 111 15 THR CB C 69.9 0.4 1 162 111 15 THR HB H 4.03 0.02 1 163 111 15 THR HG2 H 1.04 0.02 1 164 111 15 THR CG2 C 21.8 0.4 1 165 112 16 ASN N N 121.1 0.4 1 166 112 16 ASN H H 8.40 0.02 1 167 112 16 ASN CA C 53.3 0.4 1 168 112 16 ASN HA H 4.58 0.02 1 169 112 16 ASN CB C 39.0 0.4 1 170 112 16 ASN HB2 H 2.62 0.02 2 171 112 16 ASN HB3 H 2.71 0.02 2 172 112 16 ASN ND2 N 112.3 0.4 1 173 112 16 ASN HD21 H 7.50 0.02 2 174 112 16 ASN HD22 H 6.79 0.02 2 175 113 17 MET N N 121.0 0.4 1 176 113 17 MET H H 8.25 0.02 1 177 113 17 MET CA C 55.8 0.4 1 178 113 17 MET HA H 4.32 0.02 1 179 113 17 MET CB C 33.1 0.4 1 180 113 17 MET HB2 H 1.85 0.02 2 181 113 17 MET HB3 H 1.96 0.02 2 182 113 17 MET CG C 32.2 0.4 1 183 113 17 MET HG2 H 2.38 0.02 2 184 113 17 MET HG3 H 2.46 0.02 2 185 113 17 MET HE H 1.95 0.02 1 186 113 17 MET CE C 17.1 0.4 1 187 114 18 LYS N N 122.4 0.4 1 188 114 18 LYS H H 8.26 0.02 1 189 114 18 LYS CA C 56.6 0.4 1 190 114 18 LYS HA H 4.19 0.02 1 191 114 18 LYS CB C 33.3 0.4 1 192 114 18 LYS HB2 H 1.63 0.02 2 193 114 18 LYS HB3 H 1.70 0.02 2 194 114 18 LYS CG C 25.1 0.4 1 195 114 18 LYS HG2 H 1.28 0.02 2 196 114 18 LYS HG3 H 1.32 0.02 2 197 114 18 LYS CD C 29.2 0.4 1 198 114 18 LYS HD2 H 1.53 0.02 1 199 114 18 LYS HD3 H 1.53 0.02 1 200 114 18 LYS CE C 42.2 0.4 1 201 114 18 LYS HE2 H 2.85 0.02 1 202 114 18 LYS HE3 H 2.85 0.02 1 203 115 19 SER N N 117.0 0.4 1 204 115 19 SER H H 8.19 0.02 1 205 115 19 SER CA C 58.4 0.4 1 206 115 19 SER HA H 4.33 0.02 1 207 115 19 SER CB C 64.1 0.4 1 208 115 19 SER HB2 H 3.70 0.02 1 209 115 19 SER HB3 H 3.70 0.02 1 210 116 20 VAL N N 121.5 0.4 1 211 116 20 VAL H H 8.05 0.02 1 212 116 20 VAL CA C 62.3 0.4 1 213 116 20 VAL HA H 4.01 0.02 1 214 116 20 VAL CB C 33.1 0.4 1 215 116 20 VAL HB H 1.94 0.02 1 216 116 20 VAL HG1 H 0.79 0.02 2 217 116 20 VAL HG2 H 0.78 0.02 2 218 116 20 VAL CG1 C 21.4 0.4 1 219 116 20 VAL CG2 C 20.6 0.4 1 220 117 21 ALA N N 127.7 0.4 1 221 117 21 ALA H H 8.23 0.02 1 222 117 21 ALA CA C 52.5 0.4 1 223 117 21 ALA HA H 4.21 0.02 1 224 117 21 ALA HB H 1.21 0.02 1 225 117 21 ALA CB C 19.5 0.4 1 226 118 22 ILE N N 120.5 0.4 1 227 118 22 ILE H H 8.08 0.02 1 228 118 22 ILE CA C 61.5 0.4 1 229 118 22 ILE HA H 4.01 0.02 1 230 118 22 ILE CB C 39.1 0.4 1 231 118 22 ILE HB H 1.71 0.02 1 232 118 22 ILE HG2 H 0.77 0.02 1 233 118 22 ILE CG2 C 17.7 0.4 1 234 118 22 ILE CG1 C 27.7 0.4 1 235 118 22 ILE HG12 H 1.06 0.02 2 236 118 22 ILE HG13 H 1.35 0.02 2 237 118 22 ILE HD1 H 0.71 0.02 1 238 118 22 ILE CD1 C 13.2 0.4 1 239 119 23 GLY N N 112.5 0.4 1 240 119 23 GLY H H 8.37 0.02 1 241 119 23 GLY CA C 45.5 0.4 1 242 119 23 GLY HA2 H 3.79 0.02 1 243 119 23 GLY HA3 H 3.79 0.02 1 244 120 24 ALA N N 123.7 0.4 1 245 120 24 ALA H H 8.06 0.02 1 246 120 24 ALA CA C 52.7 0.4 1 247 120 24 ALA HA H 4.15 0.02 1 248 120 24 ALA HB H 1.23 0.02 1 249 120 24 ALA CB C 19.6 0.4 1 250 121 25 ALA N N 122.9 0.4 1 251 121 25 ALA H H 8.16 0.02 1 252 121 25 ALA CA C 52.8 0.4 1 253 121 25 ALA HA H 4.14 0.02 1 254 121 25 ALA HB H 1.24 0.02 1 255 121 25 ALA CB C 19.5 0.4 1 256 122 26 ALA N N 122.7 0.4 1 257 122 26 ALA H H 8.09 0.02 1 258 122 26 ALA CA C 52.9 0.4 1 259 122 26 ALA HA H 4.13 0.02 1 260 122 26 ALA HB H 1.24 0.02 1 261 122 26 ALA CB C 19.4 0.4 1 262 123 27 GLY N N 108.2 0.4 1 263 123 27 GLY H H 8.32 0.02 1 264 123 27 GLY CA C 45.5 0.4 1 265 123 27 GLY HA2 H 3.81 0.02 1 266 123 27 GLY HA3 H 3.81 0.02 1 267 124 28 ALA N N 122.9 0.4 1 268 124 28 ALA H H 8.03 0.02 1 269 124 28 ALA CA C 52.7 0.4 1 270 124 28 ALA HA H 4.25 0.02 1 271 124 28 ALA HB H 1.28 0.02 1 272 124 28 ALA CB C 20.1 0.4 1 273 125 29 ILE N N 120.2 0.4 1 274 125 29 ILE H H 8.14 0.02 1 275 125 29 ILE CA C 62.0 0.4 1 276 125 29 ILE HA H 3.79 0.02 1 277 125 29 ILE CB C 39.3 0.4 1 278 125 29 ILE HB H 1.52 0.02 1 279 125 29 ILE HG2 H 0.35 0.02 1 280 125 29 ILE CG2 C 17.9 0.4 1 281 125 29 ILE CG1 C 28.9 0.4 1 282 125 29 ILE HG12 H 0.58 0.02 2 283 125 29 ILE HG13 H 1.34 0.02 2 284 125 29 ILE HD1 H 0.59 0.02 1 285 125 29 ILE CD1 C 13.4 0.4 1 286 126 30 GLY N N 114.6 0.4 1 287 126 30 GLY H H 8.77 0.02 1 288 126 30 GLY CA C 45.4 0.4 1 289 126 30 GLY HA2 H 3.45 0.02 2 290 126 30 GLY HA3 H 3.98 0.02 2 291 127 31 GLY N N 107.6 0.4 1 292 127 31 GLY H H 7.30 0.02 1 293 127 31 GLY CA C 44.7 0.4 1 294 127 31 GLY HA2 H 3.63 0.02 2 295 127 31 GLY HA3 H 3.97 0.02 2 296 128 32 TYR N N 114.8 0.4 1 297 128 32 TYR H H 8.17 0.02 1 298 128 32 TYR CA C 56.7 0.4 1 299 128 32 TYR HA H 5.14 0.02 1 300 128 32 TYR CB C 43.8 0.4 1 301 128 32 TYR HB2 H 2.51 0.02 2 302 128 32 TYR HB3 H 2.58 0.02 2 303 128 32 TYR HD1 H 6.57 0.02 1 304 128 32 TYR HD2 H 6.57 0.02 1 305 128 32 TYR HE1 H 6.33 0.02 1 306 128 32 TYR HE2 H 6.33 0.02 1 307 128 32 TYR CD1 C 132.1 0.4 1 308 128 32 TYR CE1 C 117.3 0.4 1 309 129 33 MET N N 119.5 0.4 1 310 129 33 MET H H 8.89 0.02 1 311 129 33 MET CA C 54.1 0.4 1 312 129 33 MET HA H 4.71 0.02 1 313 129 33 MET CB C 36.5 0.4 1 314 129 33 MET HB2 H 1.90 0.02 1 315 129 33 MET HB3 H 1.90 0.02 1 316 129 33 MET CG C 31.8 0.4 1 317 129 33 MET HG2 H 2.30 0.02 2 318 129 33 MET HG3 H 2.37 0.02 2 319 129 33 MET HE H 1.96 0.02 1 320 129 33 MET CE C 17.3 0.4 1 321 130 34 LEU N N 125.9 0.4 1 322 130 34 LEU H H 8.62 0.02 1 323 130 34 LEU CA C 55.7 0.4 1 324 130 34 LEU HA H 3.94 0.02 1 325 130 34 LEU CB C 42.6 0.4 1 326 130 34 LEU HB2 H 1.23 0.02 1 327 130 34 LEU HB3 H 1.23 0.02 1 328 130 34 LEU CG C 27.1 0.4 1 329 130 34 LEU HG H 1.16 0.02 1 330 130 34 LEU HD1 H 0.24 0.02 2 331 130 34 LEU HD2 H 0.08 0.02 2 332 130 34 LEU CD1 C 24.1 0.4 1 333 130 34 LEU CD2 C 23.9 0.4 1 334 131 35 GLY N N 111.3 0.4 1 335 131 35 GLY H H 8.68 0.02 1 336 131 35 GLY CA C 44.3 0.4 1 337 131 35 GLY HA2 H 3.84 0.02 2 338 131 35 GLY HA3 H 4.01 0.02 2 339 132 36 ASN N N 117.7 0.4 1 340 132 36 ASN H H 8.71 0.02 1 341 132 36 ASN CA C 53.2 0.4 1 342 132 36 ASN HA H 4.48 0.02 1 343 132 36 ASN CB C 39.1 0.4 1 344 132 36 ASN HB2 H 2.57 0.02 2 345 132 36 ASN HB3 H 2.67 0.02 2 346 132 36 ASN ND2 N 113.1 0.4 1 347 132 36 ASN HD21 H 7.61 0.02 2 348 132 36 ASN HD22 H 6.94 0.02 2 349 133 37 ALA N N 123.8 0.4 1 350 133 37 ALA H H 8.49 0.02 1 351 133 37 ALA CA C 52.7 0.4 1 352 133 37 ALA HA H 4.45 0.02 1 353 133 37 ALA HB H 1.15 0.02 1 354 133 37 ALA CB C 18.6 0.4 1 355 134 38 VAL N N 121.2 0.4 1 356 134 38 VAL H H 8.56 0.02 1 357 134 38 VAL CA C 62.2 0.4 1 358 134 38 VAL HA H 4.09 0.02 1 359 134 38 VAL CB C 33.8 0.4 1 360 134 38 VAL HB H 2.06 0.02 1 361 134 38 VAL HG1 H 0.95 0.02 2 362 134 38 VAL HG2 H 0.96 0.02 2 363 134 38 VAL CG1 C 20.9 0.4 1 364 134 38 VAL CG2 C 22.1 0.4 1 365 135 39 GLY N N 111.4 0.4 1 366 135 39 GLY H H 8.31 0.02 1 367 135 39 GLY CA C 44.7 0.4 1 368 135 39 GLY HA2 H 3.69 0.02 2 369 135 39 GLY HA3 H 4.02 0.02 2 370 136 40 ARG N N 121.0 0.4 1 371 136 40 ARG H H 8.18 0.02 1 372 136 40 ARG CA C 57.3 0.4 1 373 136 40 ARG HA H 4.12 0.02 1 374 136 40 ARG CB C 30.3 0.4 1 375 136 40 ARG HB2 H 1.35 0.02 2 376 136 40 ARG HB3 H 1.51 0.02 2 377 136 40 ARG CG C 27.4 0.4 1 378 136 40 ARG HG2 H 1.25 0.02 1 379 136 40 ARG HG3 H 1.25 0.02 1 380 136 40 ARG CD C 43.5 0.4 1 381 136 40 ARG HD2 H 2.63 0.02 2 382 136 40 ARG HD3 H 2.78 0.02 2 383 136 40 ARG NE N 107.5 0.4 1 384 136 40 ARG HE H 6.78 0.02 1 385 137 41 MET N N 124.7 0.4 1 386 137 41 MET H H 8.19 0.02 1 387 137 41 MET CA C 54.7 0.4 1 388 137 41 MET HA H 4.46 0.02 1 389 137 41 MET CB C 35.1 0.4 1 390 137 41 MET HB2 H 1.54 0.02 2 391 137 41 MET HB3 H 1.57 0.02 2 392 137 41 MET CG C 32.0 0.4 1 393 137 41 MET HG2 H 2.30 0.02 1 394 137 41 MET HG3 H 2.30 0.02 1 395 137 41 MET HE H 1.84 0.02 1 396 137 41 MET CE C 17.3 0.4 1 397 138 42 SER N N 117.0 0.4 1 398 138 42 SER H H 8.31 0.02 1 399 138 42 SER CA C 57.2 0.4 1 400 138 42 SER HA H 4.45 0.02 1 401 138 42 SER CB C 62.9 0.4 1 402 138 42 SER HB2 H 3.61 0.02 2 403 138 42 SER HB3 H 3.66 0.02 2 404 139 43 TYR N N 123.0 0.4 1 405 139 43 TYR H H 7.41 0.02 1 406 139 43 TYR CA C 57.8 0.4 1 407 139 43 TYR HA H 4.11 0.02 1 408 139 43 TYR CB C 40.3 0.4 1 409 139 43 TYR HB2 H 1.89 0.02 2 410 139 43 TYR HB3 H 2.03 0.02 2 411 139 43 TYR HD1 H 6.22 0.02 1 412 139 43 TYR HD2 H 6.22 0.02 1 413 139 43 TYR HE1 H 6.44 0.02 1 414 139 43 TYR HE2 H 6.44 0.02 1 415 139 43 TYR CD1 C 131.8 0.4 1 416 139 43 TYR CE1 C 117.3 0.4 1 417 140 44 GLN N N 122.8 0.4 1 418 140 44 GLN H H 8.03 0.02 1 419 140 44 GLN CA C 54.7 0.4 1 420 140 44 GLN HA H 4.21 0.02 1 421 140 44 GLN CB C 29.2 0.4 1 422 140 44 GLN HB2 H 1.62 0.02 2 423 140 44 GLN HB3 H 1.76 0.02 2 424 140 44 GLN CG C 33.9 0.4 1 425 140 44 GLN HG2 H 2.10 0.02 1 426 140 44 GLN HG3 H 2.10 0.02 1 427 140 44 GLN NE2 N 112.7 0.4 1 428 140 44 GLN HE21 H 7.35 0.02 2 429 140 44 GLN HE22 H 6.67 0.02 2 430 141 45 PHE CA C 58.3 0.4 1 431 141 45 PHE HA H 4.44 0.02 1 432 141 45 PHE CB C 40.7 0.4 1 433 141 45 PHE HB2 H 2.73 0.02 2 434 141 45 PHE HB3 H 3.59 0.02 2 435 141 45 PHE HD1 H 7.16 0.02 1 436 141 45 PHE HD2 H 7.16 0.02 1 437 141 45 PHE HE1 H 7.07 0.02 1 438 141 45 PHE HE2 H 7.07 0.02 1 439 141 45 PHE CD1 C 131.3 0.4 1 440 141 45 PHE CE1 C 130.5 0.4 1 441 141 45 PHE CZ C 128.7 0.4 1 442 141 45 PHE HZ H 6.36 0.02 1 443 142 46 ASN N N 118.1 0.4 1 444 142 46 ASN H H 8.73 0.02 1 445 142 46 ASN CA C 55.3 0.4 1 446 142 46 ASN HA H 4.44 0.02 1 447 142 46 ASN CB C 39.3 0.4 1 448 142 46 ASN HB2 H 2.96 0.02 2 449 142 46 ASN HB3 H 2.72 0.02 2 450 142 46 ASN ND2 N 114.0 0.4 1 451 142 46 ASN HD21 H 7.92 0.02 2 452 142 46 ASN HD22 H 6.85 0.02 2 453 143 47 ASN N N 113.2 0.4 1 454 143 47 ASN H H 7.53 0.02 1 455 143 47 ASN CA C 51.6 0.4 1 456 143 47 ASN HA H 5.00 0.02 1 457 143 47 ASN CB C 40.0 0.4 1 458 143 47 ASN HB2 H 2.73 0.02 1 459 143 47 ASN HB3 H 2.73 0.02 1 460 143 47 ASN ND2 N 115.1 0.4 1 461 143 47 ASN HD21 H 7.72 0.02 2 462 143 47 ASN HD22 H 6.76 0.02 2 463 144 48 PRO CD C 51.8 0.4 1 464 144 48 PRO CA C 65.2 0.4 1 465 144 48 PRO HA H 4.40 0.02 1 466 144 48 PRO CB C 32.6 0.4 1 467 144 48 PRO HB2 H 1.86 0.02 2 468 144 48 PRO HB3 H 2.35 0.02 2 469 144 48 PRO CG C 28.0 0.4 1 470 144 48 PRO HG2 H 1.92 0.02 2 471 144 48 PRO HG3 H 2.03 0.02 2 472 144 48 PRO HD2 H 3.75 0.02 2 473 144 48 PRO HD3 H 3.81 0.02 2 474 145 49 MET N N 117.7 0.4 1 475 145 49 MET H H 8.30 0.02 1 476 145 49 MET CA C 59.0 0.4 1 477 145 49 MET HA H 4.12 0.02 1 478 145 49 MET CB C 31.9 0.4 1 479 145 49 MET HB2 H 1.93 0.02 2 480 145 49 MET HB3 H 2.07 0.02 2 481 145 49 MET CG C 32.7 0.4 1 482 145 49 MET HG2 H 2.47 0.02 2 483 145 49 MET HG3 H 2.53 0.02 2 484 145 49 MET HE H 2.00 0.02 1 485 145 49 MET CE C 17.3 0.4 1 486 146 50 GLU N N 119.7 0.4 1 487 146 50 GLU H H 7.74 0.02 1 488 146 50 GLU CA C 58.9 0.4 1 489 146 50 GLU HA H 3.54 0.02 1 490 146 50 GLU CB C 29.8 0.4 1 491 146 50 GLU HB2 H 1.51 0.02 2 492 146 50 GLU HB3 H 1.55 0.02 2 493 146 50 GLU CG C 36.4 0.4 1 494 146 50 GLU HG2 H 2.23 0.02 2 495 146 50 GLU HG3 H 2.25 0.02 2 496 147 51 SER N N 111.6 0.4 1 497 147 51 SER H H 7.11 0.02 1 498 147 51 SER CA C 61.6 0.4 1 499 147 51 SER HA H 3.84 0.02 1 500 147 51 SER CB C 62.9 0.4 1 501 147 51 SER HB2 H 3.98 0.02 1 502 147 51 SER HB3 H 3.98 0.02 1 503 148 52 ARG N N 120.6 0.4 1 504 148 52 ARG H H 7.97 0.02 1 505 148 52 ARG CA C 59.4 0.4 1 506 148 52 ARG HA H 3.97 0.02 1 507 148 52 ARG CB C 30.3 0.4 1 508 148 52 ARG HB2 H 1.83 0.02 1 509 148 52 ARG HB3 H 1.83 0.02 1 510 148 52 ARG CG C 27.4 0.4 1 511 148 52 ARG HG2 H 1.57 0.02 2 512 148 52 ARG HG3 H 1.65 0.02 2 513 148 52 ARG CD C 43.8 0.4 1 514 148 52 ARG HD2 H 3.13 0.02 1 515 148 52 ARG HD3 H 3.13 0.02 1 516 148 52 ARG NE N 108.9 0.4 1 517 148 52 ARG HE H 7.42 0.02 1 518 149 53 TYR N N 120.3 0.4 1 519 149 53 TYR H H 7.61 0.02 1 520 149 53 TYR CA C 62.8 0.4 1 521 149 53 TYR HA H 4.11 0.02 1 522 149 53 TYR CB C 39.1 0.4 1 523 149 53 TYR HB2 H 2.95 0.02 2 524 149 53 TYR HB3 H 3.03 0.02 2 525 149 53 TYR HD1 H 6.84 0.02 1 526 149 53 TYR HD2 H 6.84 0.02 1 527 149 53 TYR HE1 H 6.39 0.02 1 528 149 53 TYR HE2 H 6.39 0.02 1 529 149 53 TYR CD1 C 132.1 0.4 1 530 149 53 TYR CE1 C 117.3 0.4 1 531 150 54 TYR N N 117.2 0.4 1 532 150 54 TYR H H 8.12 0.02 1 533 150 54 TYR CA C 62.3 0.4 1 534 150 54 TYR HA H 3.82 0.02 1 535 150 54 TYR CB C 39.4 0.4 1 536 150 54 TYR HB2 H 2.84 0.02 2 537 150 54 TYR HB3 H 2.80 0.02 2 538 150 54 TYR HD1 H 7.17 0.02 1 539 150 54 TYR HD2 H 7.17 0.02 1 540 150 54 TYR HE1 H 6.95 0.02 1 541 150 54 TYR HE2 H 6.95 0.02 1 542 150 54 TYR CD1 C 132.5 0.4 1 543 150 54 TYR CE1 C 117.3 0.4 1 544 151 55 ASN N N 112.0 0.4 1 545 151 55 ASN H H 7.61 0.02 1 546 151 55 ASN CA C 56.9 0.4 1 547 151 55 ASN HA H 4.05 0.02 1 548 151 55 ASN CB C 39.5 0.4 1 549 151 55 ASN HB2 H 2.66 0.02 2 550 151 55 ASN HB3 H 2.71 0.02 2 551 151 55 ASN ND2 N 113.8 0.4 1 552 151 55 ASN HD21 H 7.53 0.02 2 553 151 55 ASN HD22 H 7.00 0.02 2 554 152 56 ASP N N 119.7 0.4 1 555 152 56 ASP H H 8.53 0.02 1 556 152 56 ASP CA C 56.8 0.4 1 557 152 56 ASP HA H 4.07 0.02 1 558 152 56 ASP CB C 40.2 0.4 1 559 152 56 ASP HB2 H 1.73 0.02 2 560 152 56 ASP HB3 H 2.33 0.02 2 561 153 57 TYR N N 116.6 0.4 1 562 153 57 TYR H H 7.89 0.02 1 563 153 57 TYR CA C 57.7 0.4 1 564 153 57 TYR HA H 4.41 0.02 1 565 153 57 TYR CB C 36.6 0.4 1 566 153 57 TYR HB2 H 1.86 0.02 2 567 153 57 TYR HB3 H 2.90 0.02 2 568 153 57 TYR HD1 H 6.40 0.02 1 569 153 57 TYR HD2 H 6.40 0.02 1 570 153 57 TYR HE1 H 6.54 0.02 1 571 153 57 TYR HE2 H 6.54 0.02 1 572 153 57 TYR CD1 C 132.9 0.4 1 573 153 57 TYR CE1 C 116.7 0.4 1 574 154 58 TYR N N 122.2 0.4 1 575 154 58 TYR H H 6.87 0.02 1 576 154 58 TYR CA C 62.6 0.4 1 577 154 58 TYR HA H 3.57 0.02 1 578 154 58 TYR CB C 38.9 0.4 1 579 154 58 TYR HB2 H 2.37 0.02 2 580 154 58 TYR HB3 H 2.98 0.02 2 581 154 58 TYR HD1 H 6.64 0.02 1 582 154 58 TYR HD2 H 6.64 0.02 1 583 154 58 TYR HE1 H 6.70 0.02 1 584 154 58 TYR HE2 H 6.70 0.02 1 585 154 58 TYR CD1 C 132.2 0.4 1 586 154 58 TYR CE1 C 117.4 0.4 1 587 155 59 ASN N N 115.6 0.4 1 588 155 59 ASN H H 8.31 0.02 1 589 155 59 ASN CA C 55.3 0.4 1 590 155 59 ASN HA H 4.07 0.02 1 591 155 59 ASN CB C 37.5 0.4 1 592 155 59 ASN HB2 H 2.55 0.02 2 593 155 59 ASN HB3 H 2.60 0.02 2 594 155 59 ASN ND2 N 111.8 0.4 1 595 155 59 ASN HD21 H 7.49 0.02 2 596 155 59 ASN HD22 H 6.79 0.02 2 597 156 60 GLN N N 116.4 0.4 1 598 156 60 GLN H H 8.01 0.02 1 599 156 60 GLN CA C 55.5 0.4 1 600 156 60 GLN HA H 4.33 0.02 1 601 156 60 GLN CB C 29.4 0.4 1 602 156 60 GLN HB2 H 1.97 0.02 2 603 156 60 GLN HB3 H 2.23 0.02 2 604 156 60 GLN CG C 34.3 0.4 1 605 156 60 GLN HG2 H 2.30 0.02 2 606 156 60 GLN HG3 H 2.19 0.02 2 607 156 60 GLN NE2 N 111.6 0.4 1 608 156 60 GLN HE21 H 7.42 0.02 2 609 156 60 GLN HE22 H 6.70 0.02 2 610 157 61 MET N N 119.5 0.4 1 611 157 61 MET H H 7.38 0.02 1 612 157 61 MET CA C 52.1 0.4 1 613 157 61 MET HA H 4.72 0.02 1 614 157 61 MET CB C 33.1 0.4 1 615 157 61 MET HB2 H 2.03 0.02 1 616 157 61 MET HB3 H 2.03 0.02 1 617 157 61 MET CG C 33.7 0.4 1 618 157 61 MET HG2 H 2.88 0.02 2 619 157 61 MET HG3 H 2.50 0.02 2 620 157 61 MET HE H 2.07 0.02 1 621 157 61 MET CE C 20.9 0.4 1 622 158 62 PRO CD C 50.1 0.4 1 623 158 62 PRO CA C 63.0 0.4 1 624 158 62 PRO HA H 4.02 0.02 1 625 158 62 PRO CB C 31.5 0.4 1 626 158 62 PRO HB2 H 1.00 0.02 2 627 158 62 PRO HB3 H 1.11 0.02 2 628 158 62 PRO CG C 27.2 0.4 1 629 158 62 PRO HG2 H 1.27 0.02 2 630 158 62 PRO HG3 H 1.49 0.02 2 631 158 62 PRO HD2 H 3.42 0.02 2 632 158 62 PRO HD3 H 3.56 0.02 2 633 159 63 ASN N N 117.3 0.4 1 634 159 63 ASN H H 8.33 0.02 1 635 159 63 ASN CA C 52.4 0.4 1 636 159 63 ASN HA H 4.71 0.02 1 637 159 63 ASN CB C 40.0 0.4 1 638 159 63 ASN HB2 H 2.45 0.02 2 639 159 63 ASN HB3 H 3.13 0.02 2 640 159 63 ASN ND2 N 110.0 0.4 1 641 159 63 ASN HD21 H 7.43 0.02 2 642 159 63 ASN HD22 H 6.75 0.02 2 643 160 64 ARG N N 113.8 0.4 1 644 160 64 ARG H H 7.07 0.02 1 645 160 64 ARG CA C 54.9 0.4 1 646 160 64 ARG HA H 4.58 0.02 1 647 160 64 ARG CB C 26.3 0.4 1 648 160 64 ARG HB2 H 1.30 0.02 2 649 160 64 ARG HB3 H 1.42 0.02 2 650 160 64 ARG CG C 35.4 0.4 1 651 160 64 ARG HG2 H 1.29 0.02 2 652 160 64 ARG HG3 H 1.58 0.02 2 653 160 64 ARG CD C 44.8 0.4 1 654 160 64 ARG HD2 H 2.97 0.02 2 655 160 64 ARG HD3 H 3.01 0.02 2 656 160 64 ARG NE N 107.9 0.4 1 657 160 64 ARG HE H 7.15 0.02 1 658 161 65 VAL N N 114.5 0.4 1 659 161 65 VAL H H 8.89 0.02 1 660 161 65 VAL CA C 60.2 0.4 1 661 161 65 VAL HA H 4.68 0.02 1 662 161 65 VAL CB C 35.7 0.4 1 663 161 65 VAL HB H 2.46 0.02 1 664 161 65 VAL HG1 H 1.12 0.02 2 665 161 65 VAL HG2 H 0.67 0.02 2 666 161 65 VAL CG1 C 25.1 0.4 1 667 161 65 VAL CG2 C 18.0 0.4 1 668 162 66 TYR N N 118.3 0.4 1 669 162 66 TYR H H 7.29 0.02 1 670 162 66 TYR CA C 59.1 0.4 1 671 162 66 TYR HA H 4.03 0.02 1 672 162 66 TYR CB C 39.5 0.4 1 673 162 66 TYR HB2 H 2.23 0.02 2 674 162 66 TYR HB3 H 2.44 0.02 2 675 162 66 TYR HD1 H 6.58 0.02 1 676 162 66 TYR HD2 H 6.58 0.02 1 677 162 66 TYR HE1 H 6.25 0.02 1 678 162 66 TYR HE2 H 6.25 0.02 1 679 162 66 TYR CD1 C 131.0 0.4 1 680 162 66 TYR CE1 C 117.5 0.4 1 681 163 67 ARG N N 122.2 0.4 1 682 163 67 ARG H H 8.86 0.02 1 683 163 67 ARG CA C 52.8 0.4 1 684 163 67 ARG HA H 4.29 0.02 1 685 163 67 ARG CB C 31.9 0.4 1 686 163 67 ARG HB2 H 1.79 0.02 1 687 163 67 ARG HB3 H 1.79 0.02 1 688 163 67 ARG CG C 27.5 0.4 1 689 163 67 ARG HG2 H 1.78 0.02 2 690 163 67 ARG HG3 H 1.71 0.02 2 691 163 67 ARG CD C 44.1 0.4 1 692 163 67 ARG HD2 H 3.04 0.02 2 693 163 67 ARG HD3 H 3.10 0.02 2 694 163 67 ARG NE N 107.9 0.4 1 695 163 67 ARG HE H 7.03 0.02 1 696 164 68 PRO CD C 50.6 0.4 1 697 164 68 PRO CA C 62.1 0.4 1 698 164 68 PRO HA H 3.69 0.02 1 699 164 68 PRO CB C 32.0 0.4 1 700 164 68 PRO HB2 H 0.96 0.02 2 701 164 68 PRO HB3 H 1.26 0.02 2 702 164 68 PRO CG C 28.4 0.4 1 703 164 68 PRO HG2 H 1.76 0.02 2 704 164 68 PRO HG3 H 1.65 0.02 2 705 164 68 PRO HD2 H 3.08 0.02 2 706 164 68 PRO HD3 H 2.62 0.02 2 707 165 69 MET N N 119.1 0.4 1 708 165 69 MET H H 7.59 0.02 1 709 165 69 MET CA C 53.7 0.4 1 710 165 69 MET HA H 4.34 0.02 1 711 165 69 MET CB C 33.4 0.4 1 712 165 69 MET HB2 H 1.36 0.02 2 713 165 69 MET HB3 H 1.69 0.02 2 714 165 69 MET CG C 31.4 0.4 1 715 165 69 MET HG2 H 2.08 0.02 2 716 165 69 MET HG3 H 2.10 0.02 2 717 165 69 MET HE H 1.80 0.02 1 718 165 69 MET CE C 17.0 0.4 1 719 166 70 TYR N N 122.6 0.4 1 720 166 70 TYR H H 8.44 0.02 1 721 166 70 TYR CA C 58.4 0.4 1 722 166 70 TYR HA H 4.60 0.02 1 723 166 70 TYR CB C 40.1 0.4 1 724 166 70 TYR HB2 H 2.57 0.02 2 725 166 70 TYR HB3 H 2.88 0.02 2 726 166 70 TYR HD1 H 6.90 0.02 1 727 166 70 TYR HD2 H 6.90 0.02 1 728 166 70 TYR HE1 H 6.55 0.02 1 729 166 70 TYR HE2 H 6.55 0.02 1 730 166 70 TYR CD1 C 132.3 0.4 1 731 166 70 TYR CE1 C 117.1 0.4 1 732 167 71 ARG N N 121.5 0.4 1 733 167 71 ARG H H 8.69 0.02 1 734 167 71 ARG CA C 56.7 0.4 1 735 167 71 ARG HA H 4.21 0.02 1 736 167 71 ARG CB C 31.0 0.4 1 737 167 71 ARG HB2 H 1.64 0.02 2 738 167 71 ARG HB3 H 1.73 0.02 2 739 167 71 ARG CG C 27.9 0.4 1 740 167 71 ARG HG2 H 1.46 0.02 1 741 167 71 ARG HG3 H 1.46 0.02 1 742 167 71 ARG CD C 43.5 0.4 1 743 167 71 ARG HD2 H 3.04 0.02 1 744 167 71 ARG HD3 H 3.04 0.02 1 745 167 71 ARG NE N 107.8 0.4 1 746 167 71 ARG HE H 7.08 0.02 1 747 168 72 GLY N N 110.4 0.4 1 748 168 72 GLY H H 8.60 0.02 1 749 168 72 GLY CA C 45.8 0.4 1 750 168 72 GLY HA2 H 3.79 0.02 2 751 168 72 GLY HA3 H 3.97 0.02 2 752 169 73 GLU N N 117.7 0.4 1 753 169 73 GLU H H 8.22 0.02 1 754 169 73 GLU CA C 56.1 0.4 1 755 169 73 GLU HA H 4.26 0.02 1 756 169 73 GLU CB C 29.6 0.4 1 757 169 73 GLU HB2 H 1.78 0.02 2 758 169 73 GLU HB3 H 2.00 0.02 2 759 169 73 GLU CG C 35.3 0.4 1 760 169 73 GLU HG2 H 2.15 0.02 2 761 169 73 GLU HG3 H 2.14 0.02 2 762 170 74 GLU N N 120.7 0.4 1 763 170 74 GLU H H 8.05 0.02 1 764 170 74 GLU CA C 56.8 0.4 1 765 170 74 GLU HA H 4.10 0.02 1 766 170 74 GLU CB C 30.2 0.4 1 767 170 74 GLU HB2 H 1.81 0.02 1 768 170 74 GLU HB3 H 1.81 0.02 1 769 170 74 GLU CG C 35.3 0.4 1 770 170 74 GLU HG2 H 2.10 0.02 2 771 170 74 GLU HG3 H 2.15 0.02 2 772 171 75 TYR N N 121.6 0.4 1 773 171 75 TYR H H 8.29 0.02 1 774 171 75 TYR CA C 58.2 0.4 1 775 171 75 TYR HA H 4.38 0.02 1 776 171 75 TYR CB C 38.9 0.4 1 777 171 75 TYR HB2 H 2.70 0.02 2 778 171 75 TYR HB3 H 2.91 0.02 2 779 171 75 TYR HD1 H 6.95 0.02 1 780 171 75 TYR HD2 H 6.95 0.02 1 781 171 75 TYR HE1 H 6.65 0.02 1 782 171 75 TYR HE2 H 6.65 0.02 1 783 171 75 TYR CD1 C 132.5 0.4 1 784 171 75 TYR CE1 C 117.2 0.4 1 785 172 76 VAL N N 126.5 0.4 1 786 172 76 VAL H H 7.84 0.02 1 787 172 76 VAL CA C 61.5 0.4 1 788 172 76 VAL HA H 3.76 0.02 1 789 172 76 VAL CB C 33.9 0.4 1 790 172 76 VAL HB H 1.71 0.02 1 791 172 76 VAL HG1 H 0.58 0.02 2 792 172 76 VAL HG2 H 0.43 0.02 2 793 172 76 VAL CG1 C 21.5 0.4 1 794 172 76 VAL CG2 C 20.4 0.4 1 795 173 77 SER N N 121.9 0.4 1 796 173 77 SER H H 8.10 0.02 1 797 173 77 SER CA C 57.3 0.4 1 798 173 77 SER HA H 4.16 0.02 1 799 173 77 SER CB C 65.2 0.4 1 800 173 77 SER HB2 H 3.85 0.02 2 801 173 77 SER HB3 H 4.12 0.02 2 802 174 78 GLU N N 122.7 0.4 1 803 174 78 GLU H H 8.57 0.02 1 804 174 78 GLU CA C 59.9 0.4 1 805 174 78 GLU HA H 2.07 0.02 1 806 174 78 GLU CB C 29.2 0.4 1 807 174 78 GLU HB2 H 1.55 0.02 2 808 174 78 GLU HB3 H 1.47 0.02 2 809 174 78 GLU CG C 33.1 0.4 1 810 174 78 GLU HG2 H 1.50 0.02 1 811 174 78 GLU HG3 H 1.50 0.02 1 812 175 79 ASP N N 113.9 0.4 1 813 175 79 ASP H H 8.07 0.02 1 814 175 79 ASP CA C 57.4 0.4 1 815 175 79 ASP HA H 3.98 0.02 1 816 175 79 ASP CB C 41.1 0.4 1 817 175 79 ASP HB2 H 2.39 0.02 1 818 175 79 ASP HB3 H 2.39 0.02 1 819 176 80 ARG N N 120.3 0.4 1 820 176 80 ARG H H 7.33 0.02 1 821 176 80 ARG CA C 59.3 0.4 1 822 176 80 ARG HA H 3.78 0.02 1 823 176 80 ARG CB C 30.9 0.4 1 824 176 80 ARG HB2 H 1.52 0.02 2 825 176 80 ARG HB3 H 1.62 0.02 2 826 176 80 ARG CG C 27.0 0.4 1 827 176 80 ARG HG2 H 1.52 0.02 1 828 176 80 ARG HG3 H 1.52 0.02 1 829 176 80 ARG CD C 44.1 0.4 1 830 176 80 ARG HD2 H 2.89 0.02 2 831 176 80 ARG HD3 H 3.02 0.02 2 832 176 80 ARG NE N 109.9 0.4 1 833 176 80 ARG HE H 7.66 0.02 1 834 177 81 PHE N N 118.2 0.4 1 835 177 81 PHE H H 7.85 0.02 1 836 177 81 PHE CA C 60.7 0.4 1 837 177 81 PHE HA H 4.59 0.02 1 838 177 81 PHE CB C 41.0 0.4 1 839 177 81 PHE HB2 H 2.97 0.02 2 840 177 81 PHE HB3 H 3.01 0.02 2 841 177 81 PHE HD1 H 7.29 0.02 1 842 177 81 PHE HD2 H 7.29 0.02 1 843 177 81 PHE HE1 H 7.61 0.02 1 844 177 81 PHE HE2 H 7.61 0.02 1 845 177 81 PHE CD1 C 132.6 0.4 1 846 177 81 PHE CE1 C 130.9 0.4 1 847 177 81 PHE CZ C 127.9 0.4 1 848 177 81 PHE HZ H 7.11 0.02 1 849 178 82 VAL N N 117.5 0.4 1 850 178 82 VAL H H 9.18 0.02 1 851 178 82 VAL CA C 68.4 0.4 1 852 178 82 VAL HA H 3.42 0.02 1 853 178 82 VAL CB C 31.7 0.4 1 854 178 82 VAL HB H 2.07 0.02 1 855 178 82 VAL HG1 H 1.00 0.02 2 856 178 82 VAL HG2 H 0.85 0.02 2 857 178 82 VAL CG1 C 25.7 0.4 1 858 178 82 VAL CG2 C 21.2 0.4 1 859 179 83 ARG N N 119.9 0.4 1 860 179 83 ARG H H 7.74 0.02 1 861 179 83 ARG CA C 60.4 0.4 1 862 179 83 ARG HA H 3.97 0.02 1 863 179 83 ARG CB C 27.4 0.4 1 864 179 83 ARG HB2 H 1.66 0.02 2 865 179 83 ARG HB3 H 1.49 0.02 2 866 179 83 ARG CG C 30.2 0.4 1 867 179 83 ARG HG2 H 1.90 0.02 2 868 179 83 ARG HG3 H 1.84 0.02 2 869 179 83 ARG CD C 43.7 0.4 1 870 179 83 ARG HD2 H 3.11 0.02 1 871 179 83 ARG HD3 H 3.11 0.02 1 872 179 83 ARG NE N 108.4 0.4 1 873 179 83 ARG HE H 7.15 0.02 1 874 180 84 ASP N N 119.1 0.4 1 875 180 84 ASP H H 8.14 0.02 1 876 180 84 ASP CA C 58.0 0.4 1 877 180 84 ASP HA H 4.57 0.02 1 878 180 84 ASP CB C 39.6 0.4 1 879 180 84 ASP HB2 H 2.48 0.02 2 880 180 84 ASP HB3 H 2.73 0.02 2 881 181 85 CYS N N 122.4 0.4 1 882 181 85 CYS H H 9.01 0.02 1 883 181 85 CYS CA C 59.5 0.4 1 884 181 85 CYS HA H 4.56 0.02 1 885 181 85 CYS CB C 40.0 0.4 1 886 181 85 CYS HB2 H 2.77 0.02 2 887 181 85 CYS HB3 H 3.29 0.02 2 888 182 86 TYR N N 127.6 0.4 1 889 182 86 TYR H H 9.80 0.02 1 890 182 86 TYR CA C 62.4 0.4 1 891 182 86 TYR HA H 3.81 0.02 1 892 182 86 TYR CB C 39.6 0.4 1 893 182 86 TYR HB2 H 2.90 0.02 2 894 182 86 TYR HB3 H 3.25 0.02 2 895 182 86 TYR HD1 H 6.85 0.02 1 896 182 86 TYR HD2 H 6.85 0.02 1 897 182 86 TYR HE1 H 6.97 0.02 1 898 182 86 TYR HE2 H 6.97 0.02 1 899 182 86 TYR CD1 C 132.2 0.4 1 900 182 86 TYR CE1 C 118.0 0.4 1 901 183 87 ASN N N 117.2 0.4 1 902 183 87 ASN H H 8.89 0.02 1 903 183 87 ASN CA C 56.4 0.4 1 904 183 87 ASN HA H 4.25 0.02 1 905 183 87 ASN CB C 37.8 0.4 1 906 183 87 ASN HB2 H 2.72 0.02 2 907 183 87 ASN HB3 H 2.88 0.02 2 908 183 87 ASN ND2 N 111.4 0.4 1 909 183 87 ASN HD21 H 7.88 0.02 2 910 183 87 ASN HD22 H 6.76 0.02 2 911 184 88 MET N N 118.4 0.4 1 912 184 88 MET H H 7.49 0.02 1 913 184 88 MET CA C 57.5 0.4 1 914 184 88 MET HA H 4.01 0.02 1 915 184 88 MET CB C 32.8 0.4 1 916 184 88 MET HB2 H 1.39 0.02 2 917 184 88 MET HB3 H 1.46 0.02 2 918 184 88 MET CG C 32.7 0.4 1 919 184 88 MET HG2 H 1.41 0.02 1 920 184 88 MET HG3 H 1.41 0.02 1 921 184 88 MET HE H 1.21 0.02 1 922 184 88 MET CE C 17.6 0.4 1 923 185 89 SER N N 114.3 0.4 1 924 185 89 SER H H 8.13 0.02 1 925 185 89 SER CA C 63.5 0.4 1 926 185 89 SER HA H 3.97 0.02 1 927 185 89 SER CB C 65.0 0.4 1 928 185 89 SER HB2 H 3.84 0.02 2 929 185 89 SER HB3 H 4.20 0.02 2 930 185 89 SER HG H 5.22 0.02 1 931 186 90 VAL N N 120.7 0.4 1 932 186 90 VAL H H 9.07 0.02 1 933 186 90 VAL CA C 67.3 0.4 1 934 186 90 VAL HA H 3.44 0.02 1 935 186 90 VAL CB C 31.6 0.4 1 936 186 90 VAL HB H 1.84 0.02 1 937 186 90 VAL HG1 H 0.39 0.02 2 938 186 90 VAL HG2 H 0.59 0.02 2 939 186 90 VAL CG1 C 22.0 0.4 1 940 186 90 VAL CG2 C 21.4 0.4 1 941 187 91 THR N N 119.0 0.4 1 942 187 91 THR H H 7.50 0.02 1 943 187 91 THR CA C 67.7 0.4 1 944 187 91 THR HA H 3.69 0.02 1 945 187 91 THR CB C 68.4 0.4 1 946 187 91 THR HB H 4.21 0.02 1 947 187 91 THR HG2 H 0.95 0.02 1 948 187 91 THR CG2 C 21.7 0.4 1 949 188 92 GLU N N 116.5 0.4 1 950 188 92 GLU H H 7.33 0.02 1 951 188 92 GLU CA C 58.4 0.4 1 952 188 92 GLU HA H 3.75 0.02 1 953 188 92 GLU CB C 29.5 0.4 1 954 188 92 GLU HB2 H 1.12 0.02 2 955 188 92 GLU HB3 H 1.45 0.02 2 956 188 92 GLU CG C 33.3 0.4 1 957 188 92 GLU HG2 H 1.83 0.02 2 958 188 92 GLU HG3 H 1.84 0.02 2 959 189 93 TYR N N 111.9 0.4 1 960 189 93 TYR H H 8.18 0.02 1 961 189 93 TYR CA C 58.1 0.4 1 962 189 93 TYR HA H 4.82 0.02 1 963 189 93 TYR CB C 39.7 0.4 1 964 189 93 TYR HB2 H 2.71 0.02 2 965 189 93 TYR HB3 H 3.05 0.02 2 966 189 93 TYR HD1 H 7.07 0.02 1 967 189 93 TYR HD2 H 7.07 0.02 1 968 189 93 TYR HE1 H 6.96 0.02 1 969 189 93 TYR HE2 H 6.96 0.02 1 970 189 93 TYR CD1 C 131.4 0.4 1 971 189 93 TYR CE1 C 117.3 0.4 1 972 190 94 ILE N N 117.9 0.4 1 973 190 94 ILE H H 8.20 0.02 1 974 190 94 ILE CA C 63.1 0.4 1 975 190 94 ILE HA H 4.14 0.02 1 976 190 94 ILE CB C 39.2 0.4 1 977 190 94 ILE HB H 2.04 0.02 1 978 190 94 ILE HG2 H 0.76 0.02 1 979 190 94 ILE CG2 C 17.9 0.4 1 980 190 94 ILE CG1 C 28.1 0.4 1 981 190 94 ILE HG12 H 0.88 0.02 2 982 190 94 ILE HG13 H 1.34 0.02 2 983 190 94 ILE HD1 H 0.81 0.02 1 984 190 94 ILE CD1 C 14.6 0.4 1 985 191 95 ILE N N 121.7 0.4 1 986 191 95 ILE H H 7.98 0.02 1 987 191 95 ILE CA C 63.9 0.4 1 988 191 95 ILE HA H 3.72 0.02 1 989 191 95 ILE CB C 37.8 0.4 1 990 191 95 ILE HB H 2.01 0.02 1 991 191 95 ILE HG2 H 0.77 0.02 1 992 191 95 ILE CG2 C 17.1 0.4 1 993 191 95 ILE CG1 C 27.9 0.4 1 994 191 95 ILE HG12 H 1.07 0.02 2 995 191 95 ILE HG13 H 1.35 0.02 2 996 191 95 ILE HD1 H 0.66 0.02 1 997 191 95 ILE CD1 C 11.7 0.4 1 998 192 96 LYS N N 121.3 0.4 1 999 192 96 LYS H H 8.53 0.02 1 1000 192 96 LYS CA C 59.8 0.4 1 1001 192 96 LYS HA H 4.13 0.02 1 1002 192 96 LYS CB C 30.7 0.4 1 1003 192 96 LYS HB2 H 1.69 0.02 2 1004 192 96 LYS HB3 H 1.72 0.02 2 1005 192 96 LYS CG C 26.1 0.4 1 1006 192 96 LYS HG2 H 1.22 0.02 2 1007 192 96 LYS HG3 H 1.33 0.02 2 1008 192 96 LYS CD C 29.5 0.4 1 1009 192 96 LYS HD2 H 1.46 0.02 1 1010 192 96 LYS HD3 H 1.46 0.02 1 1011 192 96 LYS CE C 42.0 0.4 1 1012 192 96 LYS HE2 H 2.69 0.02 2 1013 192 96 LYS HE3 H 2.74 0.02 2 1014 193 97 PRO CD C 50.7 0.4 1 1015 193 97 PRO CA C 64.8 0.4 1 1016 193 97 PRO HA H 4.24 0.02 1 1017 193 97 PRO CB C 31.6 0.4 1 1018 193 97 PRO HB2 H 1.60 0.02 2 1019 193 97 PRO HB3 H 2.18 0.02 2 1020 193 97 PRO CG C 28.4 0.4 1 1021 193 97 PRO HG2 H 1.75 0.02 2 1022 193 97 PRO HG3 H 1.81 0.02 2 1023 193 97 PRO HD2 H 3.53 0.02 2 1024 193 97 PRO HD3 H 3.04 0.02 2 1025 194 98 ALA N N 119.2 0.4 1 1026 194 98 ALA H H 7.31 0.02 1 1027 194 98 ALA CA C 52.8 0.4 1 1028 194 98 ALA HA H 4.13 0.02 1 1029 194 98 ALA HB H 1.33 0.02 1 1030 194 98 ALA CB C 19.4 0.4 1 1031 195 99 GLU N N 119.1 0.4 1 1032 195 99 GLU H H 7.75 0.02 1 1033 195 99 GLU CA C 57.8 0.4 1 1034 195 99 GLU HA H 4.00 0.02 1 1035 195 99 GLU CB C 29.1 0.4 1 1036 195 99 GLU HB2 H 1.92 0.02 2 1037 195 99 GLU HB3 H 1.95 0.02 2 1038 195 99 GLU CG C 35.1 0.4 1 1039 195 99 GLU HG2 H 2.23 0.02 2 1040 195 99 GLU HG3 H 2.38 0.02 2 1041 196 100 GLY N N 110.2 0.4 1 1042 196 100 GLY H H 8.46 0.02 1 1043 196 100 GLY CA C 45.6 0.4 1 1044 196 100 GLY HA2 H 3.72 0.02 2 1045 196 100 GLY HA3 H 3.90 0.02 2 1046 197 101 LYS N N 119.6 0.4 1 1047 197 101 LYS H H 7.72 0.02 1 1048 197 101 LYS CA C 55.9 0.4 1 1049 197 101 LYS HA H 4.28 0.02 1 1050 197 101 LYS CB C 33.4 0.4 1 1051 197 101 LYS HB2 H 1.67 0.02 1 1052 197 101 LYS HB3 H 1.67 0.02 1 1053 197 101 LYS CG C 25.2 0.4 1 1054 197 101 LYS HG2 H 1.21 0.02 2 1055 197 101 LYS HG3 H 1.29 0.02 2 1056 197 101 LYS CE C 42.3 0.4 1 1057 197 101 LYS HE2 H 2.85 0.02 1 1058 197 101 LYS HE3 H 2.85 0.02 1 1059 198 102 ASN N N 119.2 0.4 1 1060 198 102 ASN H H 8.45 0.02 1 1061 198 102 ASN CA C 53.4 0.4 1 1062 198 102 ASN HA H 4.54 0.02 1 1063 198 102 ASN CB C 39.0 0.4 1 1064 198 102 ASN HB2 H 2.64 0.02 2 1065 198 102 ASN HB3 H 2.70 0.02 2 1066 198 102 ASN ND2 N 113.0 0.4 1 1067 198 102 ASN HD21 H 7.53 0.02 2 1068 198 102 ASN HD22 H 6.87 0.02 2 1069 199 103 ASN N N 119.3 0.4 1 1070 199 103 ASN H H 8.47 0.02 1 1071 199 103 ASN CA C 54.2 0.4 1 1072 199 103 ASN HA H 4.52 0.02 1 1073 199 103 ASN CB C 39.0 0.4 1 1074 199 103 ASN HB2 H 2.65 0.02 2 1075 199 103 ASN HB3 H 2.69 0.02 2 1076 199 103 ASN ND2 N 112.1 0.4 1 1077 199 103 ASN HD21 H 7.51 0.02 2 1078 199 103 ASN HD22 H 6.80 0.02 2 1079 200 104 SER N N 115.7 0.4 1 1080 200 104 SER H H 8.25 0.02 1 1081 200 104 SER CA C 59.5 0.4 1 1082 200 104 SER HA H 4.23 0.02 1 1083 200 104 SER CB C 64.0 0.4 1 1084 200 104 SER HB2 H 3.77 0.02 2 1085 200 104 SER HB3 H 3.89 0.02 2 1086 201 105 GLU N N 121.2 0.4 1 1087 201 105 GLU H H 8.31 0.02 1 1088 201 105 GLU CA C 57.5 0.4 1 1089 201 105 GLU HA H 4.11 0.02 1 1090 201 105 GLU CB C 29.6 0.4 1 1091 201 105 GLU HB2 H 1.91 0.02 2 1092 201 105 GLU HB3 H 1.98 0.02 2 1093 201 105 GLU CG C 35.4 0.4 1 1094 201 105 GLU HG2 H 2.20 0.02 2 1095 201 105 GLU HG3 H 2.24 0.02 2 1096 202 106 LEU N N 121.1 0.4 1 1097 202 106 LEU H H 7.80 0.02 1 1098 202 106 LEU CA C 56.0 0.4 1 1099 202 106 LEU HA H 4.10 0.02 1 1100 202 106 LEU CB C 42.3 0.4 1 1101 202 106 LEU HB2 H 1.38 0.02 2 1102 202 106 LEU HB3 H 1.51 0.02 2 1103 202 106 LEU CG C 27.3 0.4 1 1104 202 106 LEU HG H 1.51 0.02 1 1105 202 106 LEU HD1 H 0.79 0.02 2 1106 202 106 LEU HD2 H 0.73 0.02 2 1107 202 106 LEU CD1 C 25.2 0.4 1 1108 202 106 LEU CD2 C 23.9 0.4 1 1109 203 107 ASN N N 119.5 0.4 1 1110 203 107 ASN H H 8.25 0.02 1 1111 203 107 ASN CA C 54.1 0.4 1 1112 203 107 ASN HA H 4.46 0.02 1 1113 203 107 ASN CB C 39.1 0.4 1 1114 203 107 ASN HB2 H 2.62 0.02 2 1115 203 107 ASN HB3 H 2.73 0.02 2 1116 203 107 ASN ND2 N 112.0 0.4 1 1117 203 107 ASN HD21 H 7.63 0.02 2 1118 203 107 ASN HD22 H 6.70 0.02 2 1119 204 108 GLN N N 123.3 0.4 1 1120 204 108 GLN H H 8.49 0.02 1 1121 204 108 GLN CA C 59.1 0.4 1 1122 204 108 GLN HA H 3.88 0.02 1 1123 204 108 GLN CB C 28.5 0.4 1 1124 204 108 GLN HB2 H 1.95 0.02 1 1125 204 108 GLN HB3 H 1.95 0.02 1 1126 204 108 GLN CG C 34.0 0.4 1 1127 204 108 GLN HG2 H 2.24 0.02 2 1128 204 108 GLN HG3 H 2.29 0.02 2 1129 204 108 GLN NE2 N 111.9 0.4 1 1130 204 108 GLN HE21 H 7.31 0.02 2 1131 204 108 GLN HE22 H 6.76 0.02 2 1132 205 109 LEU N N 122.3 0.4 1 1133 205 109 LEU H H 7.83 0.02 1 1134 205 109 LEU CA C 57.8 0.4 1 1135 205 109 LEU HA H 3.86 0.02 1 1136 205 109 LEU CB C 41.7 0.4 1 1137 205 109 LEU HB2 H 1.11 0.02 2 1138 205 109 LEU HB3 H 1.16 0.02 2 1139 205 109 LEU CG C 26.9 0.4 1 1140 205 109 LEU HG H 0.79 0.02 1 1141 205 109 LEU HD1 H 0.62 0.02 2 1142 205 109 LEU HD2 H 0.60 0.02 2 1143 205 109 LEU CD1 C 25.0 0.4 1 1144 205 109 LEU CD2 C 26.4 0.4 1 1145 206 110 ASP N N 117.3 0.4 1 1146 206 110 ASP H H 7.42 0.02 1 1147 206 110 ASP CA C 58.6 0.4 1 1148 206 110 ASP HA H 3.79 0.02 1 1149 206 110 ASP CB C 42.9 0.4 1 1150 206 110 ASP HB2 H 2.50 0.02 2 1151 206 110 ASP HB3 H 2.53 0.02 2 1152 207 111 THR N N 112.3 0.4 1 1153 207 111 THR H H 7.74 0.02 1 1154 207 111 THR CA C 67.2 0.4 1 1155 207 111 THR HA H 3.69 0.02 1 1156 207 111 THR CB C 69.1 0.4 1 1157 207 111 THR HB H 4.11 0.02 1 1158 207 111 THR HG2 H 1.09 0.02 1 1159 207 111 THR CG2 C 22.3 0.4 1 1160 208 112 THR N N 119.8 0.4 1 1161 208 112 THR H H 8.37 0.02 1 1162 208 112 THR CA C 66.7 0.4 1 1163 208 112 THR HA H 3.99 0.02 1 1164 208 112 THR CB C 68.7 0.4 1 1165 208 112 THR HB H 4.18 0.02 1 1166 208 112 THR HG2 H 1.20 0.02 1 1167 208 112 THR CG2 C 22.1 0.4 1 1168 209 113 VAL N N 123.6 0.4 1 1169 209 113 VAL H H 8.35 0.02 1 1170 209 113 VAL CA C 68.0 0.4 1 1171 209 113 VAL HA H 3.61 0.02 1 1172 209 113 VAL CB C 31.9 0.4 1 1173 209 113 VAL HB H 2.07 0.02 1 1174 209 113 VAL HG1 H 1.07 0.02 2 1175 209 113 VAL HG2 H 0.86 0.02 2 1176 209 113 VAL CG1 C 22.3 0.4 1 1177 209 113 VAL CG2 C 24.5 0.4 1 1178 210 114 LYS N N 116.9 0.4 1 1179 210 114 LYS H H 8.26 0.02 1 1180 210 114 LYS CA C 61.3 0.4 1 1181 210 114 LYS HA H 3.84 0.02 1 1182 210 114 LYS CB C 34.2 0.4 1 1183 210 114 LYS HB2 H 1.85 0.02 2 1184 210 114 LYS HB3 H 1.40 0.02 2 1185 210 114 LYS CG C 25.2 0.4 1 1186 210 114 LYS HG2 H 1.13 0.02 2 1187 210 114 LYS HG3 H 1.33 0.02 2 1188 210 114 LYS CE C 42.2 0.4 1 1189 210 114 LYS HE2 H 2.77 0.02 1 1190 210 114 LYS HE3 H 2.77 0.02 1 1191 211 115 SER N N 112.9 0.4 1 1192 211 115 SER H H 8.46 0.02 1 1193 211 115 SER CA C 63.2 0.4 1 1194 211 115 SER HA H 3.93 0.02 1 1195 211 115 SER CB C 63.2 0.4 1 1196 211 115 SER HB2 H 4.11 0.02 2 1197 211 115 SER HB3 H 4.13 0.02 2 1198 212 116 GLN N N 119.1 0.4 1 1199 212 116 GLN H H 7.71 0.02 1 1200 212 116 GLN CA C 59.9 0.4 1 1201 212 116 GLN HA H 4.00 0.02 1 1202 212 116 GLN CB C 35.8 0.4 1 1203 212 116 GLN HB2 H 2.18 0.02 2 1204 212 116 GLN HB3 H 2.52 0.02 2 1205 212 116 GLN CG C 30.3 0.4 1 1206 212 116 GLN HG2 H 2.00 0.02 2 1207 212 116 GLN HG3 H 2.19 0.02 2 1208 212 116 GLN NE2 N 112.4 0.4 1 1209 212 116 GLN HE21 H 7.48 0.02 2 1210 212 116 GLN HE22 H 6.87 0.02 2 1211 213 117 ILE N N 115.6 0.4 1 1212 213 117 ILE H H 8.10 0.02 1 1213 213 117 ILE CA C 64.4 0.4 1 1214 213 117 ILE HA H 3.52 0.02 1 1215 213 117 ILE CB C 37.5 0.4 1 1216 213 117 ILE HB H 1.71 0.02 1 1217 213 117 ILE HG2 H 0.63 0.02 1 1218 213 117 ILE CG2 C 18.5 0.4 1 1219 213 117 ILE CG1 C 27.5 0.4 1 1220 213 117 ILE HG12 H 1.32 0.02 2 1221 213 117 ILE HG13 H 1.44 0.02 2 1222 213 117 ILE HD1 H 0.75 0.02 1 1223 213 117 ILE CD1 C 14.9 0.4 1 1224 214 118 ILE N N 122.2 0.4 1 1225 214 118 ILE H H 8.42 0.02 1 1226 214 118 ILE CA C 66.4 0.4 1 1227 214 118 ILE HA H 3.53 0.02 1 1228 214 118 ILE CB C 38.2 0.4 1 1229 214 118 ILE HB H 1.93 0.02 1 1230 214 118 ILE HG2 H 1.00 0.02 1 1231 214 118 ILE CG2 C 20.3 0.4 1 1232 214 118 ILE CG1 C 31.1 0.4 1 1233 214 118 ILE HG12 H 0.67 0.02 2 1234 214 118 ILE HG13 H 1.86 0.02 2 1235 214 118 ILE HD1 H 0.68 0.02 1 1236 214 118 ILE CD1 C 15.6 0.4 1 1237 215 119 ARG N N 119.0 0.4 1 1238 215 119 ARG H H 7.94 0.02 1 1239 215 119 ARG CA C 62.0 0.4 1 1240 215 119 ARG HA H 3.68 0.02 1 1241 215 119 ARG CB C 29.6 0.4 1 1242 215 119 ARG HB2 H 1.80 0.02 1 1243 215 119 ARG HB3 H 1.80 0.02 1 1244 215 119 ARG CG C 28.0 0.4 1 1245 215 119 ARG HG2 H 1.26 0.02 2 1246 215 119 ARG HG3 H 1.37 0.02 2 1247 215 119 ARG CD C 42.9 0.4 1 1248 215 119 ARG HD2 H 2.87 0.02 2 1249 215 119 ARG HD3 H 2.96 0.02 2 1250 215 119 ARG NE N 106.9 0.4 1 1251 215 119 ARG HE H 6.96 0.02 1 1252 216 120 GLU N N 115.2 0.4 1 1253 216 120 GLU H H 7.60 0.02 1 1254 216 120 GLU CA C 59.4 0.4 1 1255 216 120 GLU HA H 3.97 0.02 1 1256 216 120 GLU CB C 30.1 0.4 1 1257 216 120 GLU HB2 H 1.85 0.02 2 1258 216 120 GLU HB3 H 1.93 0.02 2 1259 216 120 GLU CG C 34.4 0.4 1 1260 216 120 GLU HG2 H 2.19 0.02 2 1261 216 120 GLU HG3 H 2.20 0.02 2 1262 217 121 MET N N 120.4 0.4 1 1263 217 121 MET H H 9.01 0.02 1 1264 217 121 MET CA C 60.7 0.4 1 1265 217 121 MET HA H 3.98 0.02 1 1266 217 121 MET CB C 35.8 0.4 1 1267 217 121 MET HB2 H 1.88 0.02 2 1268 217 121 MET HB3 H 2.33 0.02 2 1269 217 121 MET CG C 34.3 0.4 1 1270 217 121 MET HG2 H 2.32 0.02 2 1271 217 121 MET HG3 H 2.90 0.02 2 1272 217 121 MET HE H 1.67 0.02 1 1273 217 121 MET CE C 17.3 0.4 1 1274 218 122 CYS N N 119.4 0.4 1 1275 218 122 CYS H H 8.80 0.02 1 1276 218 122 CYS CA C 59.2 0.4 1 1277 218 122 CYS HA H 4.46 0.02 1 1278 218 122 CYS CB C 40.3 0.4 1 1279 218 122 CYS HB2 H 3.00 0.02 2 1280 218 122 CYS HB3 H 3.57 0.02 2 1281 219 123 ILE N N 122.2 0.4 1 1282 219 123 ILE H H 8.12 0.02 1 1283 219 123 ILE CA C 66.8 0.4 1 1284 219 123 ILE HA H 3.50 0.02 1 1285 219 123 ILE CB C 38.9 0.4 1 1286 219 123 ILE HB H 1.89 0.02 1 1287 219 123 ILE HG2 H 0.78 0.02 1 1288 219 123 ILE CG2 C 17.1 0.4 1 1289 219 123 ILE CG1 C 30.5 0.4 1 1290 219 123 ILE HG12 H 0.90 0.02 2 1291 219 123 ILE HG13 H 1.83 0.02 2 1292 219 123 ILE HD1 H 0.72 0.02 1 1293 219 123 ILE CD1 C 14.5 0.4 1 1294 220 124 THR N N 116.5 0.4 1 1295 220 124 THR H H 8.06 0.02 1 1296 220 124 THR CA C 67.5 0.4 1 1297 220 124 THR HA H 3.73 0.02 1 1298 220 124 THR CB C 69.1 0.4 1 1299 220 124 THR HB H 4.29 0.02 1 1300 220 124 THR HG2 H 1.13 0.02 1 1301 220 124 THR CG2 C 21.9 0.4 1 1302 221 125 GLU N N 120.8 0.4 1 1303 221 125 GLU H H 8.51 0.02 1 1304 221 125 GLU CA C 59.1 0.4 1 1305 221 125 GLU HA H 3.93 0.02 1 1306 221 125 GLU CB C 29.5 0.4 1 1307 221 125 GLU HB2 H 2.29 0.02 2 1308 221 125 GLU HB3 H 2.45 0.02 2 1309 221 125 GLU CG C 36.3 0.4 1 1310 221 125 GLU HG2 H 2.38 0.02 2 1311 221 125 GLU HG3 H 2.40 0.02 2 1312 222 126 TYR N N 120.3 0.4 1 1313 222 126 TYR H H 7.88 0.02 1 1314 222 126 TYR CA C 61.9 0.4 1 1315 222 126 TYR HA H 2.88 0.02 1 1316 222 126 TYR CB C 37.7 0.4 1 1317 222 126 TYR HB2 H 2.65 0.02 2 1318 222 126 TYR HB3 H 2.88 0.02 2 1319 222 126 TYR HD1 H 6.37 0.02 1 1320 222 126 TYR HD2 H 6.37 0.02 1 1321 222 126 TYR HE1 H 6.52 0.02 1 1322 222 126 TYR HE2 H 6.52 0.02 1 1323 222 126 TYR CD1 C 131.9 0.4 1 1324 222 126 TYR CE1 C 117.3 0.4 1 1325 223 127 ARG N N 115.6 0.4 1 1326 223 127 ARG H H 7.70 0.02 1 1327 223 127 ARG CA C 57.9 0.4 1 1328 223 127 ARG HA H 3.75 0.02 1 1329 223 127 ARG CB C 30.6 0.4 1 1330 223 127 ARG HB2 H 1.71 0.02 2 1331 223 127 ARG HB3 H 1.86 0.02 2 1332 223 127 ARG CG C 28.7 0.4 1 1333 223 127 ARG HG2 H 1.59 0.02 2 1334 223 127 ARG HG3 H 1.89 0.02 2 1335 223 127 ARG CD C 43.9 0.4 1 1336 223 127 ARG HD2 H 2.96 0.02 2 1337 223 127 ARG HD3 H 3.06 0.02 2 1338 223 127 ARG NE N 108.9 0.4 1 1339 223 127 ARG HE H 7.57 0.02 1 1340 224 128 ARG N N 119.3 0.4 1 1341 224 128 ARG H H 7.68 0.02 1 1342 224 128 ARG CA C 57.9 0.4 1 1343 224 128 ARG HA H 4.04 0.02 1 1344 224 128 ARG CB C 30.9 0.4 1 1345 224 128 ARG HB2 H 1.64 0.02 2 1346 224 128 ARG HB3 H 1.78 0.02 2 1347 224 128 ARG CG C 27.6 0.4 1 1348 224 128 ARG HG2 H 1.67 0.02 2 1349 224 128 ARG HG3 H 1.57 0.02 2 1350 224 128 ARG CD C 44.1 0.4 1 1351 224 128 ARG HD2 H 3.02 0.02 2 1352 224 128 ARG HD3 H 3.06 0.02 2 1353 224 128 ARG NE N 107.7 0.4 1 1354 224 128 ARG HE H 7.16 0.02 1 1355 225 129 GLY N N 108.3 0.4 1 1356 225 129 GLY H H 7.67 0.02 1 1357 225 129 GLY CA C 45.5 0.4 1 1358 225 129 GLY HA2 H 3.85 0.02 2 1359 225 129 GLY HA3 H 3.76 0.02 2 1360 226 130 SER N N 120.5 0.4 1 1361 226 130 SER H H 7.71 0.02 1 1362 226 130 SER CA C 60.0 0.4 1 1363 226 130 SER HA H 4.07 0.02 1 1364 226 130 SER CB C 65.1 0.4 1 1365 226 130 SER HB2 H 3.63 0.02 2 1366 226 130 SER HB3 H 3.69 0.02 2 stop_ save_