data_6149 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of complement control protein module pair 2-3 from the C4b-binding site of complement receptor type 1 ; _BMRB_accession_number 6149 _BMRB_flat_file_name bmr6149.str _Entry_type original _Submission_date 2004-03-17 _Accession_date 2004-03-17 _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 Black Gordon . . 2 Wenzler Michael . . 3 Wang Xuefeng . . 4 Krych-Goldberg Malgorzata . . 5 Atkinson John P. . 6 Barlow Paul N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 710 "13C chemical shifts" 544 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-15 original author . stop_ _Original_release_date 2005-03-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: 1H, 15N and 13C resonance assignments of complement control protein module pair 2-3 from the C4b-binding site of complement receptor type 1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15557809 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Black Gordon . . 2 Wenzler Michael . . 3 Wang Xuefeng . . 4 Krych-Goldberg Malgorzata . . 5 Atkinson John P. . 6 Barlow Paul N. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 228 _Year 2004 _Details . loop_ _Keyword CCP 'chemical shift assignment' complement CR1 NMR stop_ save_ ################################## # Molecular system description # ################################## save_CR1_2-3 _Saveframe_category molecular_system _Mol_system_name 'complement contorl protein module pair 2-3 of complement receptor type 1' _Abbreviation_common CR1~2-3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CR1~2-3 $CR1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function C4b-binding stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CR1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Complement receptor 1' _Name_variant N115T _Abbreviation_common CR1 _Molecular_mass 14663 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; EAEAKSCRNPPDPVNGMVHV IKGIQFGSQIKYSCTKGYRL IGSSSATCIISGDTVIWDTE TPICDRIPCGLPPTITNGDF ISTNRENFHYGSVVTYRCNP GSGGRKVFELVGEPSIYCTS NDDQVGIWSGPAPQCI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 57 GLU 2 58 ALA 3 59 GLU 4 60 ALA 5 61 LYS 6 62 SER 7 63 CYS 8 64 ARG 9 65 ASN 10 66 PRO 11 67 PRO 12 68 ASP 13 69 PRO 14 70 VAL 15 71 ASN 16 72 GLY 17 73 MET 18 74 VAL 19 75 HIS 20 76 VAL 21 77 ILE 22 78 LYS 23 79 GLY 24 80 ILE 25 81 GLN 26 82 PHE 27 83 GLY 28 84 SER 29 85 GLN 30 86 ILE 31 87 LYS 32 88 TYR 33 89 SER 34 90 CYS 35 91 THR 36 92 LYS 37 93 GLY 38 94 TYR 39 95 ARG 40 96 LEU 41 97 ILE 42 98 GLY 43 99 SER 44 100 SER 45 101 SER 46 102 ALA 47 103 THR 48 104 CYS 49 105 ILE 50 106 ILE 51 107 SER 52 108 GLY 53 109 ASP 54 110 THR 55 111 VAL 56 112 ILE 57 113 TRP 58 114 ASP 59 115 THR 60 116 GLU 61 117 THR 62 118 PRO 63 119 ILE 64 120 CYS 65 121 ASP 66 122 ARG 67 123 ILE 68 124 PRO 69 125 CYS 70 126 GLY 71 127 LEU 72 128 PRO 73 129 PRO 74 130 THR 75 131 ILE 76 132 THR 77 133 ASN 78 134 GLY 79 135 ASP 80 136 PHE 81 137 ILE 82 138 SER 83 139 THR 84 140 ASN 85 141 ARG 86 142 GLU 87 143 ASN 88 144 PHE 89 145 HIS 90 146 TYR 91 147 GLY 92 148 SER 93 149 VAL 94 150 VAL 95 151 THR 96 152 TYR 97 153 ARG 98 154 CYS 99 155 ASN 100 156 PRO 101 157 GLY 102 158 SER 103 159 GLY 104 160 GLY 105 161 ARG 106 162 LYS 107 163 VAL 108 164 PHE 109 165 GLU 110 166 LEU 111 167 VAL 112 168 GLY 113 169 GLU 114 170 PRO 115 171 SER 116 172 ILE 117 173 TYR 118 174 CYS 119 175 THR 120 176 SER 121 177 ASN 122 178 ASP 123 179 ASP 124 180 GLN 125 181 VAL 126 182 GLY 127 183 ILE 128 184 TRP 129 185 SER 130 186 GLY 131 187 PRO 132 188 ALA 133 189 PRO 134 190 GLN 135 191 CYS 136 192 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-01 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 BMRB 19458 CR1_2-3 100.00 136 100.00 100.00 7.44e-94 PDB 2MCY "Cr1 Sushi Domains 2 And 3" 100.00 136 100.00 100.00 7.44e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_type _Fraction $CR1 Human 9606 Eukaryota Metazoa Homo sapiens erythrocytes surface stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $CR1 'recombinant technology' 'Pichia pastoris' Pichia pastoris . plasmid pPICZalfa 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 $CR1 0.8 mM '[U-95% 13C; U-95% 15N]' KPO4 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CR1 0.7 mM '[U-95% 15N]' KPO4 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label . save_ save_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_H(CCO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_(H)C(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Reference_correction_type _Correction_value_citation_label H2O H 1 water ppm 4.625185 internal direct cylindrical internal parallel 1 $entry_citation 'temperature, ph, ionic strength' $entry_citation DSS N 15 'methyl protons' ppm 0.00 external direct . . . 0.101329118 $entry_citation . $entry_citation DSS C 13 'methyl protons' ppm 0.00 external direct . . . 0.251449530 $entry_citation . $entry_citation 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_chemical-shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CR1~2-3 _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 58 2 ALA HA H 4.26 0.02 1 2 58 2 ALA HB H 1.32 0.02 1 3 58 2 ALA C C 177.2 0.05 1 4 58 2 ALA CA C 53 0.05 1 5 58 2 ALA CB C 19.2 0.05 1 6 59 3 GLU H H 8.44 0.02 1 7 59 3 GLU HA H 4.15 0.02 1 8 59 3 GLU HB2 H 1.93 0.02 2 9 59 3 GLU HB3 H 1.98 0.02 2 10 59 3 GLU HG2 H 2.23 0.02 1 11 59 3 GLU HG3 H 2.23 0.02 1 12 59 3 GLU C C 176.1 0.05 1 13 59 3 GLU CA C 56.9 0.05 1 14 59 3 GLU CB C 30.2 0.05 1 15 59 3 GLU CG C 36.5 0.05 1 16 59 3 GLU N N 120.2 0.05 1 17 60 4 ALA H H 8.18 0.02 1 18 60 4 ALA HA H 4.33 0.02 1 19 60 4 ALA HB H 1.37 0.02 1 20 60 4 ALA C C 177.6 0.05 1 21 60 4 ALA CA C 52.2 0.05 1 22 60 4 ALA CB C 19.5 0.05 1 23 60 4 ALA N N 125.1 0.05 1 24 61 5 LYS H H 8.24 0.02 1 25 61 5 LYS HA H 4.31 0.02 1 26 61 5 LYS HB2 H 1.63 0.02 2 27 61 5 LYS HB3 H 1.72 0.02 2 28 61 5 LYS HG2 H 1.37 0.02 2 29 61 5 LYS HG3 H 1.42 0.02 2 30 61 5 LYS HD2 H 1.58 0.02 1 31 61 5 LYS HD3 H 1.58 0.02 1 32 61 5 LYS HE2 H 2.87 0.02 1 33 61 5 LYS HE3 H 2.87 0.02 1 34 61 5 LYS C C 175.5 0.05 1 35 61 5 LYS CA C 56.3 0.05 1 36 61 5 LYS CB C 34 0.05 1 37 61 5 LYS CG C 25.4 0.05 1 38 61 5 LYS CD C 29.3 0.05 1 39 61 5 LYS CE C 42.4 0.05 1 40 61 5 LYS N N 121.2 0.05 1 41 62 6 SER H H 8.2 0.02 1 42 62 6 SER HA H 4.74 0.02 1 43 62 6 SER HB2 H 3.59 0.02 2 44 62 6 SER HB3 H 3.74 0.02 2 45 62 6 SER C C 173.7 0.05 1 46 62 6 SER CA C 57.9 0.05 1 47 62 6 SER CB C 65.7 0.05 1 48 62 6 SER N N 115.1 0.05 1 49 63 7 CYS H H 8.25 0.02 1 50 63 7 CYS HA H 4.09 0.02 1 51 63 7 CYS HB2 H 2.19 0.02 1 52 63 7 CYS HB3 H 2.19 0.02 1 53 63 7 CYS C C 173.4 0.05 1 54 63 7 CYS CA C 61 0.05 1 55 63 7 CYS CB C 41 0.05 1 56 63 7 CYS N N 122 0.05 1 57 64 8 ARG H H 8.39 0.02 1 58 64 8 ARG HA H 4.2 0.02 1 59 64 8 ARG HB2 H 1.91 0.02 1 60 64 8 ARG HB3 H 1.91 0.02 1 61 64 8 ARG HG2 H 1.72 0.02 1 62 64 8 ARG HG3 H 1.72 0.02 1 63 64 8 ARG HD2 H 3.28 0.02 1 64 64 8 ARG HD3 H 3.28 0.02 1 65 64 8 ARG C C 176.3 0.05 1 66 64 8 ARG CA C 55.9 0.05 1 67 64 8 ARG CB C 30.7 0.05 1 68 64 8 ARG CG C 27.4 0.05 1 69 64 8 ARG CD C 43.8 0.05 1 70 64 8 ARG N N 118.2 0.05 1 71 65 9 ASN H H 8.57 0.02 1 72 65 9 ASN HA H 4.7 0.02 1 73 65 9 ASN HB2 H 2.68 0.02 1 74 65 9 ASN HB3 H 2.68 0.02 1 75 65 9 ASN HD21 H 7.5 0.02 2 76 65 9 ASN HD22 H 6.79 0.02 2 77 65 9 ASN C C 174 0.05 1 78 65 9 ASN CA C 52.3 0.05 1 79 65 9 ASN CB C 38.4 0.05 1 80 65 9 ASN N N 122 0.05 1 81 65 9 ASN ND2 N 112.7 0.05 1 82 66 10 PRO HG2 H 1.36 0.02 2 83 66 10 PRO HG3 H 1.87 0.02 2 84 66 10 PRO HD2 H 3.83 0.02 2 85 66 10 PRO HD3 H 4.05 0.02 2 86 66 10 PRO CG C 27.3 0.05 1 87 66 10 PRO CD C 50.4 0.05 1 88 67 11 PRO HA H 4.48 0.02 1 89 67 11 PRO HB2 H 2.18 0.02 2 90 67 11 PRO HB3 H 1.79 0.02 2 91 67 11 PRO HD2 H 3.69 0.02 2 92 67 11 PRO HD3 H 3.82 0.02 2 93 67 11 PRO CA C 61.8 0.05 1 94 67 11 PRO CB C 32.4 0.05 1 95 67 11 PRO CD C 50.8 0.05 1 96 68 12 ASP H H 8.02 0.02 1 97 68 12 ASP HA H 4.63 0.02 1 98 68 12 ASP HB2 H 2.21 0.02 2 99 68 12 ASP HB3 H 2.67 0.02 2 100 68 12 ASP C C 175.3 0.05 1 101 68 12 ASP CA C 53 0.05 1 102 68 12 ASP CB C 40.6 0.05 1 103 68 12 ASP N N 118.5 0.05 1 104 69 13 PRO HA H 4.25 0.02 1 105 69 13 PRO HB2 H 1.28 0.02 2 106 69 13 PRO HB3 H 2.09 0.02 2 107 69 13 PRO HG2 H 1.48 0.02 2 108 69 13 PRO HG3 H 1.71 0.02 2 109 69 13 PRO C C 176.9 0.05 1 110 69 13 PRO CA C 62.2 0.05 1 111 69 13 PRO CB C 31.2 0.05 1 112 69 13 PRO CG C 27.8 0.05 1 113 70 14 VAL H H 8.11 0.02 1 114 70 14 VAL HA H 3.64 0.02 1 115 70 14 VAL HB H 1.86 0.02 1 116 70 14 VAL HG1 H 0.9 0.02 2 117 70 14 VAL HG2 H 1 0.02 2 118 70 14 VAL C C 178.1 0.05 1 119 70 14 VAL CA C 64.8 0.05 1 120 70 14 VAL CB C 30.9 0.05 1 121 70 14 VAL CG1 C 21 0.05 2 122 70 14 VAL CG2 C 22.1 0.05 2 123 70 14 VAL N N 125.5 0.05 1 124 71 15 ASN H H 8.85 0.02 1 125 71 15 ASN HA H 3.94 0.02 1 126 71 15 ASN HB2 H 1.32 0.02 2 127 71 15 ASN HB3 H 2.44 0.02 2 128 71 15 ASN HD21 H 6.82 0.02 2 129 71 15 ASN HD22 H 7.38 0.02 2 130 71 15 ASN C C 172.9 0.05 1 131 71 15 ASN CA C 55.8 0.05 1 132 71 15 ASN CB C 36.6 0.05 1 133 71 15 ASN N N 119.4 0.05 1 134 71 15 ASN ND2 N 116.8 0.05 1 135 72 16 GLY H H 7.64 0.02 1 136 72 16 GLY HA2 H 4.22 0.02 2 137 72 16 GLY HA3 H 4.4 0.02 2 138 72 16 GLY C C 171.7 0.05 1 139 72 16 GLY CA C 47 0.05 1 140 72 16 GLY N N 104.7 0.05 1 141 73 17 MET H H 8.82 0.02 1 142 73 17 MET HA H 4.97 0.02 1 143 73 17 MET HB2 H 1.77 0.02 1 144 73 17 MET HB3 H 1.77 0.02 1 145 73 17 MET HG2 H 2.54 0.02 1 146 73 17 MET HG3 H 2.54 0.02 1 147 73 17 MET C C 173.4 0.05 1 148 73 17 MET CA C 54.2 0.05 1 149 73 17 MET CB C 30.2 0.05 1 150 73 17 MET CG C 51.7 0.05 1 151 73 17 MET N N 116.2 0.05 1 152 74 18 VAL H H 8.84 0.02 1 153 74 18 VAL HA H 4.65 0.02 1 154 74 18 VAL HB H 1.79 0.02 1 155 74 18 VAL HG1 H 0.26 0.02 2 156 74 18 VAL HG2 H 0.68 0.02 2 157 74 18 VAL C C 172.6 0.05 1 158 74 18 VAL CA C 59.4 0.05 1 159 74 18 VAL CB C 35 0.05 1 160 74 18 VAL CG1 C 24.1 0.05 2 161 74 18 VAL CG2 C 18.8 0.05 2 162 74 18 VAL N N 122.8 0.05 1 163 76 20 VAL H H 8.68 0.02 1 164 76 20 VAL HA H 4.15 0.02 1 165 76 20 VAL HB H 2.05 0.02 1 166 76 20 VAL HG1 H 0.78 0.02 2 167 76 20 VAL HG2 H 0.84 0.02 2 168 76 20 VAL C C 175.9 0.05 1 169 76 20 VAL CA C 62.4 0.05 1 170 76 20 VAL CB C 31.6 0.05 1 171 76 20 VAL CG1 C 20.9 0.05 2 172 76 20 VAL CG2 C 21.7 0.05 2 173 76 20 VAL N N 126.8 0.05 1 174 77 21 ILE H H 7.81 0.02 1 175 77 21 ILE HA H 4.09 0.02 1 176 77 21 ILE HB H 1.92 0.02 1 177 77 21 ILE HG12 H 1.18 0.02 2 178 77 21 ILE HG13 H 1.44 0.02 2 179 77 21 ILE HG2 H 0.93 0.02 1 180 77 21 ILE HD1 H 0.79 0.02 1 181 77 21 ILE C C 176.5 0.05 1 182 77 21 ILE CA C 63 0.05 1 183 77 21 ILE CB C 39.1 0.05 1 184 77 21 ILE CG1 C 27.7 0.05 1 185 77 21 ILE CG2 C 17.9 0.05 1 186 77 21 ILE CD1 C 12.8 0.05 1 187 77 21 ILE N N 126.8 0.05 1 188 78 22 LYS H H 9.27 0.02 1 189 78 22 LYS HA H 4.52 0.02 1 190 78 22 LYS HB2 H 1.78 0.02 2 191 78 22 LYS HB3 H 2.03 0.02 2 192 78 22 LYS HG2 H 1.46 0.02 1 193 78 22 LYS HG3 H 1.46 0.02 1 194 78 22 LYS HD2 H 1.72 0.02 1 195 78 22 LYS HD3 H 1.72 0.02 1 196 78 22 LYS HE2 H 2.99 0.02 1 197 78 22 LYS HE3 H 2.99 0.02 1 198 78 22 LYS C C 176 0.05 1 199 78 22 LYS CA C 56 0.05 1 200 78 22 LYS CB C 33.2 0.05 1 201 78 22 LYS CG C 25.3 0.05 1 202 78 22 LYS CD C 29.4 0.05 1 203 78 22 LYS CE C 42.5 0.05 1 204 78 22 LYS N N 123.1 0.05 1 205 79 23 GLY H H 7.83 0.02 1 206 79 23 GLY HA2 H 3.91 0.02 2 207 79 23 GLY HA3 H 4.36 0.02 2 208 79 23 GLY C C 173 0.05 1 209 79 23 GLY CA C 44.9 0.05 1 210 79 23 GLY N N 108.8 0.05 1 211 80 24 ILE H H 8.03 0.02 1 212 80 24 ILE HA H 4.9 0.02 1 213 80 24 ILE HB H 2.43 0.02 1 214 80 24 ILE HG12 H 1.06 0.02 2 215 80 24 ILE HG13 H 1.27 0.02 2 216 80 24 ILE HG2 H 1.01 0.02 1 217 80 24 ILE HD1 H 0.92 0.02 1 218 80 24 ILE C C 174.3 0.05 1 219 80 24 ILE CA C 60.9 0.05 1 220 80 24 ILE CB C 38.7 0.05 1 221 80 24 ILE CG1 C 25.7 0.05 1 222 80 24 ILE CG2 C 18.7 0.05 1 223 80 24 ILE CD1 C 13.6 0.05 1 224 80 24 ILE N N 110.1 0.05 1 225 81 25 GLN H H 7.74 0.02 1 226 81 25 GLN HA H 4.54 0.02 1 227 81 25 GLN HB2 H 2.04 0.02 2 228 81 25 GLN HB3 H 2.13 0.02 2 229 81 25 GLN HG2 H 2.38 0.02 1 230 81 25 GLN HG3 H 2.38 0.02 1 231 81 25 GLN HE21 H 7.43 0.02 2 232 81 25 GLN HE22 H 6.81 0.02 2 233 81 25 GLN C C 176 0.05 1 234 81 25 GLN CA C 55.9 0.05 1 235 81 25 GLN CB C 30.1 0.05 1 236 81 25 GLN CG C 34.4 0.05 1 237 81 25 GLN N N 117.6 0.05 1 238 81 25 GLN NE2 N 111.6 0.05 1 239 82 26 PHE H H 8.29 0.02 1 240 82 26 PHE HA H 3.83 0.02 1 241 82 26 PHE HB2 H 2.82 0.02 2 242 82 26 PHE HB3 H 2.98 0.02 2 243 82 26 PHE HD1 H 7.06 0.02 1 244 82 26 PHE HD2 H 7.06 0.02 1 245 82 26 PHE HE1 H 7.4 0.02 1 246 82 26 PHE HE2 H 7.4 0.02 1 247 82 26 PHE HZ H 7.32 0.02 1 248 82 26 PHE C C 175.4 0.05 1 249 82 26 PHE CA C 59.7 0.05 1 250 82 26 PHE CB C 39.4 0.05 1 251 82 26 PHE CD1 C 131.5 0.05 1 252 82 26 PHE CD2 C 131.5 0.05 1 253 82 26 PHE CE1 C 131.5 0.05 1 254 82 26 PHE CE2 C 131.5 0.05 1 255 82 26 PHE N N 120.3 0.05 1 256 83 27 GLY H H 8.65 0.02 1 257 83 27 GLY HA2 H 3.2 0.02 2 258 83 27 GLY HA3 H 3.93 0.02 2 259 83 27 GLY C C 174.5 0.05 1 260 83 27 GLY CA C 44.6 0.05 1 261 83 27 GLY N N 117.3 0.05 1 262 84 28 SER H H 8.32 0.02 1 263 84 28 SER HA H 4.37 0.02 1 264 84 28 SER HB2 H 3.9 0.02 1 265 84 28 SER HB3 H 3.9 0.02 1 266 84 28 SER C C 172.2 0.05 1 267 84 28 SER CA C 60.1 0.05 1 268 84 28 SER CB C 64.5 0.05 1 269 84 28 SER N N 117.5 0.05 1 270 85 29 GLN H H 8.1 0.02 1 271 85 29 GLN HA H 5.81 0.02 1 272 85 29 GLN HB2 H 1.96 0.02 2 273 85 29 GLN HB3 H 2.07 0.02 2 274 85 29 GLN HG2 H 2.38 0.02 1 275 85 29 GLN HG3 H 2.38 0.02 1 276 85 29 GLN HE21 H 7.29 0.02 2 277 85 29 GLN HE22 H 6.72 0.02 2 278 85 29 GLN C C 176.3 0.05 1 279 85 29 GLN CA C 54.4 0.05 1 280 85 29 GLN CB C 32.7 0.05 1 281 85 29 GLN CG C 34.9 0.05 1 282 85 29 GLN N N 119.7 0.05 1 283 85 29 GLN NE2 N 111.5 0.05 1 284 86 30 ILE H H 9.03 0.02 1 285 86 30 ILE HA H 4.81 0.02 1 286 86 30 ILE HB H 1.29 0.02 1 287 86 30 ILE HG12 H 0.47 0.02 2 288 86 30 ILE HG13 H 0.52 0.02 2 289 86 30 ILE HG2 H 0.69 0.02 1 290 86 30 ILE HD1 H -0.64 0.02 1 291 86 30 ILE C C 174.3 0.05 1 292 86 30 ILE CA C 59.6 0.05 1 293 86 30 ILE CB C 41.2 0.05 1 294 86 30 ILE CG1 C 25 0.05 1 295 86 30 ILE CG2 C 19.9 0.05 1 296 86 30 ILE CD1 C 12.6 0.05 1 297 86 30 ILE N N 118.9 0.05 1 298 87 31 LYS H H 7.76 0.02 1 299 87 31 LYS HA H 5.19 0.02 1 300 87 31 LYS HB2 H 1.57 0.02 2 301 87 31 LYS HB3 H 1.9 0.02 2 302 87 31 LYS HG2 H 1.35 0.02 2 303 87 31 LYS HD2 H 1.6 0.02 1 304 87 31 LYS HD3 H 1.6 0.02 1 305 87 31 LYS HE2 H 2.81 0.02 1 306 87 31 LYS HE3 H 2.81 0.02 1 307 87 31 LYS C C 174.2 0.05 1 308 87 31 LYS CA C 53.9 0.05 1 309 87 31 LYS CB C 36.9 0.05 1 310 87 31 LYS CG C 25.3 0.05 1 311 87 31 LYS CD C 29.2 0.05 1 312 87 31 LYS CE C 42.3 0.05 1 313 87 31 LYS N N 118 0.05 1 314 88 32 TYR H H 8.41 0.02 1 315 88 32 TYR HA H 5.45 0.02 1 316 88 32 TYR HB2 H 2.43 0.02 2 317 88 32 TYR HB3 H 2.7 0.02 2 318 88 32 TYR HD1 H 6.66 0.02 1 319 88 32 TYR HD2 H 6.66 0.02 1 320 88 32 TYR HE1 H 6.44 0.02 1 321 88 32 TYR HE2 H 6.44 0.02 1 322 88 32 TYR C C 174.8 0.05 1 323 88 32 TYR CA C 57 0.05 1 324 88 32 TYR CB C 44.2 0.05 1 325 88 32 TYR CD1 C 132.9 0.05 1 326 88 32 TYR CD2 C 132.9 0.05 1 327 88 32 TYR CE1 C 117.6 0.05 1 328 88 32 TYR CE2 C 117.6 0.05 1 329 88 32 TYR N N 118.7 0.05 1 330 89 33 SER H H 8.95 0.02 1 331 89 33 SER HA H 4.64 0.02 1 332 89 33 SER HB2 H 3.83 0.02 2 333 89 33 SER HB3 H 3.99 0.02 2 334 89 33 SER C C 172.5 0.05 1 335 89 33 SER CA C 57.7 0.05 1 336 89 33 SER CB C 66 0.05 1 337 89 33 SER N N 113.4 0.05 1 338 90 34 CYS H H 8.65 0.02 1 339 90 34 CYS HA H 5.32 0.02 1 340 90 34 CYS HB2 H 2.48 0.02 2 341 90 34 CYS HB3 H 2.98 0.02 2 342 90 34 CYS C C 175.1 0.05 1 343 90 34 CYS CA C 53.4 0.05 1 344 90 34 CYS CB C 42 0.05 1 345 90 34 CYS N N 115.9 0.05 1 346 91 35 THR H H 8.42 0.02 1 347 91 35 THR HA H 3.98 0.02 1 348 91 35 THR HB H 3.81 0.02 1 349 91 35 THR HG2 H 1.2 0.02 1 350 91 35 THR C C 172.5 0.05 1 351 91 35 THR CA C 63.1 0.05 1 352 91 35 THR CB C 69.8 0.05 1 353 91 35 THR CG2 C 22 0.05 1 354 91 35 THR N N 119.3 0.05 1 355 92 36 LYS H H 8.01 0.02 1 356 92 36 LYS HA H 4.06 0.02 1 357 92 36 LYS HB2 H 1.72 0.02 2 358 92 36 LYS HB3 H 1.77 0.02 2 359 92 36 LYS HG2 H 1.35 0.02 2 360 92 36 LYS HG3 H 1.43 0.02 2 361 92 36 LYS HD2 H 1.75 0.02 1 362 92 36 LYS HD3 H 1.75 0.02 1 363 92 36 LYS HE2 H 3.01 0.02 2 364 92 36 LYS HE3 H 3.09 0.02 2 365 92 36 LYS C C 176.7 0.05 1 366 92 36 LYS CA C 58.1 0.05 1 367 92 36 LYS CB C 32 0.05 1 368 92 36 LYS CG C 24.3 0.05 1 369 92 36 LYS CD C 29 0.05 1 370 92 36 LYS CE C 42.4 0.05 1 371 92 36 LYS N N 124 0.05 1 372 93 37 GLY H H 8.82 0.02 1 373 93 37 GLY HA2 H 1.82 0.02 2 374 93 37 GLY HA3 H 3.25 0.02 2 375 93 37 GLY C C 172.2 0.05 1 376 93 37 GLY CA C 43.9 0.05 1 377 93 37 GLY N N 114.2 0.05 1 378 94 38 TYR H H 8 0.02 1 379 94 38 TYR HA H 4.82 0.02 1 380 94 38 TYR HB2 H 2.3 0.02 2 381 94 38 TYR HB3 H 3.2 0.02 2 382 94 38 TYR HD1 H 6.57 0.02 1 383 94 38 TYR HD2 H 6.57 0.02 1 384 94 38 TYR HE1 H 6.56 0.02 1 385 94 38 TYR HE2 H 6.56 0.02 1 386 94 38 TYR C C 173.8 0.05 1 387 94 38 TYR CA C 56.6 0.05 1 388 94 38 TYR CB C 40.5 0.05 1 389 94 38 TYR CD1 C 133.1 0.05 1 390 94 38 TYR CD2 C 133.1 0.05 1 391 94 38 TYR CE1 C 117.6 0.05 1 392 94 38 TYR CE2 C 117.6 0.05 1 393 94 38 TYR N N 119 0.05 1 394 95 39 ARG H H 9.51 0.02 1 395 95 39 ARG HA H 4.81 0.02 1 396 95 39 ARG HB2 H 1.69 0.02 2 397 95 39 ARG HB3 H 1.85 0.02 2 398 95 39 ARG HG2 H 1.64 0.02 1 399 95 39 ARG HG3 H 1.64 0.02 1 400 95 39 ARG HD2 H 3.18 0.02 2 401 95 39 ARG HD3 H 3.27 0.02 2 402 95 39 ARG C C 174 0.05 1 403 95 39 ARG CA C 53.2 0.05 1 404 95 39 ARG CB C 33.4 0.05 1 405 95 39 ARG CG C 26.7 0.05 1 406 95 39 ARG CD C 44.5 0.05 1 407 95 39 ARG N N 119.5 0.05 1 408 96 40 LEU H H 8.31 0.02 1 409 96 40 LEU HA H 4.66 0.02 1 410 96 40 LEU HB2 H 1.48 0.02 2 411 96 40 LEU HB3 H 1.61 0.02 2 412 96 40 LEU HG H 1.21 0.02 1 413 96 40 LEU HD1 H 0.49 0.02 2 414 96 40 LEU HD2 H 0.64 0.02 2 415 96 40 LEU C C 176.9 0.05 1 416 96 40 LEU CA C 56.6 0.05 1 417 96 40 LEU CB C 43.3 0.05 1 418 96 40 LEU CG C 28.4 0.05 1 419 96 40 LEU CD1 C 25.7 0.05 2 420 96 40 LEU CD2 C 26.3 0.05 2 421 96 40 LEU N N 126.3 0.05 1 422 97 41 ILE H H 9.56 0.02 1 423 97 41 ILE HA H 4.26 0.02 1 424 97 41 ILE HB H 1.88 0.02 1 425 97 41 ILE HG12 H 1.12 0.02 2 426 97 41 ILE HG13 H 1.46 0.02 2 427 97 41 ILE HG2 H 0.84 0.02 1 428 97 41 ILE HD1 H 0.81 0.02 1 429 97 41 ILE C C 175.1 0.05 1 430 97 41 ILE CA C 61.1 0.05 1 431 97 41 ILE CB C 38 0.05 1 432 97 41 ILE CG1 C 27.2 0.05 1 433 97 41 ILE CG2 C 17.1 0.05 1 434 97 41 ILE CD1 C 13 0.05 1 435 97 41 ILE N N 130.2 0.05 1 436 98 42 GLY H H 8.37 0.02 1 437 98 42 GLY HA2 H 3.62 0.02 2 438 98 42 GLY HA3 H 4.54 0.02 2 439 98 42 GLY C C 172.4 0.05 1 440 98 42 GLY CA C 43.1 0.05 1 441 98 42 GLY N N 116.4 0.05 1 442 99 43 SER H H 8.57 0.02 1 443 99 43 SER HA H 4.58 0.02 1 444 99 43 SER HB2 H 3.85 0.02 2 445 99 43 SER HB3 H 4.15 0.02 2 446 99 43 SER C C 174.1 0.05 1 447 99 43 SER CA C 58.1 0.05 1 448 99 43 SER CB C 64.3 0.05 1 449 99 43 SER N N 116.7 0.05 1 450 100 44 SER H H 8.54 0.02 1 451 100 44 SER HA H 4.43 0.02 1 452 100 44 SER HB2 H 3.92 0.02 2 453 100 44 SER HB3 H 4.33 0.02 2 454 100 44 SER C C 173.5 0.05 1 455 100 44 SER CA C 59.3 0.05 1 456 100 44 SER CB C 64.3 0.05 1 457 100 44 SER N N 116.5 0.05 1 458 101 45 SER H H 7.86 0.02 1 459 101 45 SER HA H 5.29 0.02 1 460 101 45 SER HB2 H 3.82 0.02 2 461 101 45 SER HB3 H 3.89 0.02 2 462 101 45 SER C C 171.9 0.05 1 463 101 45 SER CA C 57.1 0.05 1 464 101 45 SER CB C 66.4 0.05 1 465 101 45 SER N N 115.2 0.05 1 466 102 46 ALA H H 8.22 0.02 1 467 102 46 ALA HA H 5.13 0.02 1 468 102 46 ALA HB H 1.57 0.02 1 469 102 46 ALA C C 175.7 0.05 1 470 102 46 ALA CA C 51.7 0.05 1 471 102 46 ALA CB C 24.5 0.05 1 472 102 46 ALA N N 121.9 0.05 1 473 103 47 THR H H 9.33 0.02 1 474 103 47 THR HA H 5.5 0.02 1 475 103 47 THR HB H 3.79 0.02 1 476 103 47 THR HG2 H 1.03 0.02 1 477 103 47 THR C C 173 0.05 1 478 103 47 THR CA C 61.5 0.05 1 479 103 47 THR CB C 71.2 0.05 1 480 103 47 THR CG2 C 21.5 0.05 1 481 103 47 THR N N 117.5 0.05 1 482 104 48 CYS H H 8.3 0.02 1 483 104 48 CYS HA H 4.28 0.02 1 484 104 48 CYS HB2 H 1.62 0.02 2 485 104 48 CYS HB3 H 2.58 0.02 2 486 104 48 CYS C C 174 0.05 1 487 104 48 CYS CA C 55.6 0.05 1 488 104 48 CYS CB C 39.3 0.05 1 489 104 48 CYS N N 127.5 0.05 1 490 105 49 ILE H H 9.2 0.02 1 491 105 49 ILE HA H 4.84 0.02 1 492 105 49 ILE HB H 2.02 0.02 1 493 105 49 ILE HG12 H 1.04 0.02 2 494 105 49 ILE HG13 H 1.29 0.02 2 495 105 49 ILE HG2 H 0.93 0.02 1 496 105 49 ILE HD1 H 0.89 0.02 1 497 105 49 ILE C C 174.3 0.05 1 498 105 49 ILE CA C 60.3 0.05 1 499 105 49 ILE CB C 42.3 0.05 1 500 105 49 ILE CG2 C 18.3 0.05 1 501 105 49 ILE CD1 C 14.4 0.05 1 502 105 49 ILE N N 126.4 0.05 1 503 106 50 ILE H H 7.93 0.02 1 504 106 50 ILE HA H 4.38 0.02 1 505 106 50 ILE HB H 1.56 0.02 1 506 106 50 ILE HG12 H 1.33 0.02 2 507 106 50 ILE HG13 H 0.82 0.02 2 508 106 50 ILE HG2 H 0.8 0.02 1 509 106 50 ILE HD1 H 0.41 0.02 1 510 106 50 ILE C C 176.3 0.05 1 511 106 50 ILE CA C 61.2 0.05 1 512 106 50 ILE CB C 39.5 0.05 1 513 106 50 ILE CG1 C 28.9 0.05 1 514 106 50 ILE CG2 C 17.6 0.05 1 515 106 50 ILE CD1 C 13.4 0.05 1 516 106 50 ILE N N 118.5 0.05 1 517 107 51 SER H H 8.32 0.02 1 518 107 51 SER HA H 4.49 0.02 1 519 107 51 SER HB2 H 3.42 0.02 2 520 107 51 SER HB3 H 3.51 0.02 2 521 107 51 SER C C 174.9 0.05 1 522 107 51 SER CA C 56.8 0.05 1 523 107 51 SER CB C 64 0.05 1 524 107 51 SER N N 121.3 0.05 1 525 108 52 GLY HA2 H 3.6 0.02 2 526 108 52 GLY HA3 H 3.97 0.02 2 527 108 52 GLY C C 174.2 0.05 1 528 108 52 GLY CA C 47.6 0.05 1 529 109 53 ASP H H 8.65 0.02 1 530 109 53 ASP HA H 4.66 0.02 1 531 109 53 ASP HB2 H 2.66 0.02 2 532 109 53 ASP HB3 H 2.72 0.02 2 533 109 53 ASP C C 175.5 0.05 1 534 109 53 ASP CA C 54.1 0.05 1 535 109 53 ASP CB C 41.2 0.05 1 536 109 53 ASP N N 126.2 0.05 1 537 110 54 THR H H 7.94 0.02 1 538 110 54 THR HA H 4.66 0.02 1 539 110 54 THR HB H 4.08 0.02 1 540 110 54 THR HG2 H 1.2 0.02 1 541 110 54 THR C C 172.7 0.05 1 542 110 54 THR CA C 59.7 0.05 1 543 110 54 THR CB C 71.2 0.05 1 544 110 54 THR CG2 C 20.4 0.05 1 545 110 54 THR N N 114.5 0.05 1 546 111 55 VAL H H 8.12 0.02 1 547 111 55 VAL HA H 5.13 0.02 1 548 111 55 VAL HB H 1.92 0.02 1 549 111 55 VAL HG1 H 0.54 0.02 2 550 111 55 VAL HG2 H 0.6 0.02 2 551 111 55 VAL C C 175.2 0.05 1 552 111 55 VAL CA C 59.8 0.05 1 553 111 55 VAL CB C 33.3 0.05 1 554 111 55 VAL CG1 C 20.4 0.05 2 555 111 55 VAL CG2 C 23 0.05 2 556 111 55 VAL N N 119 0.05 1 557 112 56 ILE H H 8.85 0.02 1 558 112 56 ILE HA H 4.5 0.02 1 559 112 56 ILE HB H 1.92 0.02 1 560 112 56 ILE HG12 H 1.2 0.02 2 561 112 56 ILE HG13 H 1.45 0.02 2 562 112 56 ILE HG2 H 0.88 0.02 1 563 112 56 ILE HD1 H 0.82 0.02 1 564 112 56 ILE C C 174.5 0.05 1 565 112 56 ILE CA C 59.7 0.05 1 566 112 56 ILE CB C 43.4 0.05 1 567 112 56 ILE CG1 C 27.6 0.05 1 568 112 56 ILE CG2 C 18.4 0.05 1 569 112 56 ILE CD1 C 13.7 0.05 1 570 112 56 ILE N N 119.1 0.05 1 571 113 57 TRP H H 7.49 0.02 1 572 113 57 TRP HA H 5.07 0.02 1 573 113 57 TRP HB2 H 3.1 0.02 2 574 113 57 TRP HB3 H 3.37 0.02 2 575 113 57 TRP HD1 H 7.27 0.02 1 576 113 57 TRP HE1 H 10.49 0.02 1 577 113 57 TRP HE3 H 7.13 0.02 1 578 113 57 TRP HZ2 H 7.19 0.02 1 579 113 57 TRP HZ3 H 6.93 0.02 1 580 113 57 TRP HH2 H 6.92 0.02 1 581 113 57 TRP C C 178.7 0.05 1 582 113 57 TRP CA C 56.6 0.05 1 583 113 57 TRP CB C 30.5 0.05 1 584 113 57 TRP CD1 C 126.7 0.05 1 585 113 57 TRP CD2 C 126.7 0.05 1 586 113 57 TRP CE2 C 120.7 0.05 1 587 113 57 TRP CE3 C 120.7 0.05 1 588 113 57 TRP CZ2 C 113.5 0.05 1 589 113 57 TRP CZ3 C 123.2 0.05 1 590 113 57 TRP CH2 C 124.4 0.05 1 591 113 57 TRP N N 122 0.05 1 592 113 57 TRP NE1 N 127.9 0.05 1 593 114 58 ASP H H 9.31 0.02 1 594 114 58 ASP HA H 4.17 0.02 1 595 114 58 ASP HB2 H 2.85 0.02 2 596 114 58 ASP HB3 H 3.09 0.02 2 597 114 58 ASP C C 175.6 0.05 1 598 114 58 ASP CA C 56.1 0.05 1 599 114 58 ASP CB C 40.2 0.05 1 600 114 58 ASP N N 123.1 0.05 1 601 115 59 THR H H 7.51 0.02 1 602 115 59 THR HA H 4.64 0.02 1 603 115 59 THR HB H 4.28 0.02 1 604 115 59 THR HG2 H 1.37 0.02 1 605 115 59 THR C C 173.4 0.05 1 606 115 59 THR CA C 60.3 0.05 1 607 115 59 THR CB C 71.5 0.05 1 608 115 59 THR CG2 C 21.4 0.05 1 609 115 59 THR N N 112.5 0.05 1 610 116 60 GLU H H 8.2 0.02 1 611 116 60 GLU HA H 4.37 0.02 1 612 116 60 GLU HB2 H 1.88 0.02 2 613 116 60 GLU HB3 H 2.05 0.02 2 614 116 60 GLU HG2 H 2.32 0.02 1 615 116 60 GLU HG3 H 2.32 0.02 1 616 116 60 GLU C C 176.1 0.05 1 617 116 60 GLU CA C 55.7 0.05 1 618 116 60 GLU CB C 31 0.05 1 619 116 60 GLU CG C 36.5 0.05 1 620 116 60 GLU N N 122.3 0.05 1 621 117 61 THR H H 8.1 0.02 1 622 117 61 THR HA H 3.64 0.02 1 623 117 61 THR HB H 3.74 0.02 1 624 117 61 THR HG2 H 1.11 0.02 1 625 117 61 THR C C 172.4 0.05 1 626 117 61 THR CA C 61.9 0.05 1 627 117 61 THR CB C 70 0.05 1 628 117 61 THR CG2 C 21.3 0.05 1 629 117 61 THR N N 120.7 0.05 1 630 118 62 PRO HA H 4.53 0.02 1 631 118 62 PRO HG2 H 0.75 0.02 2 632 118 62 PRO HG3 H 1.46 0.02 2 633 118 62 PRO HD2 H 2.02 0.02 2 634 118 62 PRO HD3 H 2.75 0.02 2 635 118 62 PRO C C 174 0.05 1 636 118 62 PRO CA C 62.5 0.05 1 637 118 62 PRO CB C 33 0.05 1 638 118 62 PRO CG C 27.2 0.05 1 639 118 62 PRO CD C 49.7 0.05 1 640 119 63 ILE H H 7.78 0.02 1 641 119 63 ILE HA H 4.25 0.02 1 642 119 63 ILE HB H 1.74 0.02 1 643 119 63 ILE HG12 H 1.16 0.02 2 644 119 63 ILE HG13 H 1.43 0.02 2 645 119 63 ILE HG2 H 0.82 0.02 1 646 119 63 ILE HD1 H 0.79 0.02 1 647 119 63 ILE C C 174.7 0.05 1 648 119 63 ILE CA C 59.2 0.05 1 649 119 63 ILE CB C 41.4 0.05 1 650 119 63 ILE CG1 C 27.8 0.05 1 651 119 63 ILE CG2 C 17.9 0.05 1 652 119 63 ILE CD1 C 13.3 0.05 1 653 119 63 ILE N N 114.6 0.05 1 654 120 64 CYS H H 8.62 0.02 1 655 120 64 CYS HA H 5.41 0.02 1 656 120 64 CYS HB2 H 2.43 0.02 2 657 120 64 CYS HB3 H 3.15 0.02 2 658 120 64 CYS C C 173.6 0.05 1 659 120 64 CYS CA C 54 0.05 1 660 120 64 CYS CB C 41.3 0.05 1 661 120 64 CYS N N 123.1 0.05 1 662 121 65 ASP H H 9.33 0.02 1 663 121 65 ASP HA H 5.19 0.02 1 664 121 65 ASP HB2 H 2.43 0.02 2 665 121 65 ASP HB3 H 2.64 0.02 2 666 121 65 ASP C C 175.7 0.05 1 667 121 65 ASP CA C 52.6 0.05 1 668 121 65 ASP CB C 45.6 0.05 1 669 121 65 ASP N N 126 0.05 1 670 122 66 ARG H H 8.52 0.02 1 671 122 66 ARG HA H 3.39 0.02 1 672 122 66 ARG HB2 H 1.38 0.02 2 673 122 66 ARG HB3 H 1.44 0.02 2 674 122 66 ARG HG2 H 1.2 0.02 1 675 122 66 ARG HG3 H 1.2 0.02 1 676 122 66 ARG HD2 H 2.57 0.02 2 677 122 66 ARG HD3 H 2.64 0.02 2 678 122 66 ARG C C 176.4 0.05 1 679 122 66 ARG CA C 57.6 0.05 1 680 122 66 ARG CB C 30.9 0.05 1 681 122 66 ARG CG C 27.6 0.05 1 682 122 66 ARG CD C 43.6 0.05 1 683 122 66 ARG N N 127.2 0.05 1 684 123 67 ILE H H 8.03 0.02 1 685 123 67 ILE HA H 3.85 0.02 1 686 123 67 ILE HB H 1.38 0.02 1 687 123 67 ILE HG12 H 0.65 0.02 2 688 123 67 ILE HG13 H 1.33 0.02 2 689 123 67 ILE HG2 H 0.65 0.02 1 690 123 67 ILE HD1 H 0.4 0.02 1 691 123 67 ILE C C 173.8 0.05 1 692 123 67 ILE CA C 61 0.05 1 693 123 67 ILE CB C 40.1 0.05 1 694 123 67 ILE CG1 C 30.4 0.05 1 695 123 67 ILE CG2 C 16.6 0.05 1 696 123 67 ILE CD1 C 13.3 0.05 1 697 123 67 ILE N N 127.1 0.05 1 698 124 68 PRO HA H 5.03 0.02 1 699 124 68 PRO HB2 H 1.89 0.02 2 700 124 68 PRO HB3 H 2.12 0.02 2 701 124 68 PRO C C 176.9 0.05 1 702 124 68 PRO CA C 62.3 0.05 1 703 124 68 PRO CB C 32.8 0.05 1 704 124 68 PRO CD C 51 0.05 1 705 125 69 CYS H H 7.77 0.02 1 706 125 69 CYS HA H 4.47 0.02 1 707 125 69 CYS HB2 H 1.9 0.02 2 708 125 69 CYS HB3 H 2.89 0.02 2 709 125 69 CYS C C 175 0.05 1 710 125 69 CYS CA C 58.4 0.05 1 711 125 69 CYS CB C 47.8 0.05 1 712 125 69 CYS N N 115 0.05 1 713 126 70 GLY H H 8.21 0.02 1 714 126 70 GLY HA2 H 3.81 0.02 2 715 126 70 GLY HA3 H 4.33 0.02 2 716 126 70 GLY C C 172.5 0.05 1 717 126 70 GLY CA C 44.1 0.05 1 718 126 70 GLY N N 107.1 0.05 1 719 127 71 LEU H H 8 0.02 1 720 127 71 LEU HA H 4.1 0.02 1 721 127 71 LEU HB2 H 1.47 0.02 2 722 127 71 LEU HB3 H 1.59 0.02 2 723 127 71 LEU HG H 1.93 0.02 1 724 127 71 LEU HD1 H 1.1 0.02 2 725 127 71 LEU HD2 H 1.19 0.02 2 726 127 71 LEU C C 175.4 0.05 1 727 127 71 LEU CA C 54.3 0.05 1 728 127 71 LEU CB C 40.9 0.05 1 729 127 71 LEU CG C 27.6 0.05 1 730 127 71 LEU CD1 C 25.5 0.05 2 731 127 71 LEU CD2 C 23.9 0.05 2 732 127 71 LEU N N 117.5 0.05 1 733 128 72 PRO HA H 3.05 0.02 1 734 128 72 PRO HB2 H -0.33 0.02 2 735 128 72 PRO HB3 H 0.89 0.02 2 736 128 72 PRO HG2 H -0.04 0.02 2 737 128 72 PRO HG3 H 0.25 0.02 2 738 128 72 PRO HD2 H 2.43 0.02 2 739 128 72 PRO HD3 H 2.78 0.02 2 740 128 72 PRO CA C 60.6 0.05 1 741 128 72 PRO CB C 28.7 0.05 1 742 128 72 PRO CG C 25.4 0.05 1 743 128 72 PRO CD C 49.7 0.05 1 744 129 73 PRO HA H 4.19 0.02 1 745 129 73 PRO HB2 H 1.58 0.02 2 746 129 73 PRO HB3 H 2.19 0.02 2 747 129 73 PRO HG2 H 1.79 0.02 1 748 129 73 PRO HG3 H 1.79 0.02 1 749 129 73 PRO HD2 H 2.84 0.02 1 750 129 73 PRO HD3 H 2.84 0.02 1 751 129 73 PRO C C 177.2 0.05 1 752 129 73 PRO CA C 62.8 0.05 1 753 129 73 PRO CB C 32.1 0.05 1 754 129 73 PRO CG C 27.5 0.05 1 755 129 73 PRO CD C 49.7 0.05 1 756 130 74 THR H H 7.98 0.02 1 757 130 74 THR HA H 4.38 0.02 1 758 130 74 THR HB H 4.12 0.02 1 759 130 74 THR HG2 H 1.23 0.02 1 760 130 74 THR C C 173.9 0.05 1 761 130 74 THR CA C 62.2 0.05 1 762 130 74 THR CB C 70.2 0.05 1 763 130 74 THR CG2 C 22.1 0.05 1 764 130 74 THR N N 115.9 0.05 1 765 131 75 ILE H H 8.66 0.02 1 766 131 75 ILE HA H 4.61 0.02 1 767 131 75 ILE HB H 1.57 0.02 1 768 131 75 ILE HG12 H 0.75 0.02 2 769 131 75 ILE HG13 H 1.21 0.02 2 770 131 75 ILE HG2 H 0.74 0.02 1 771 131 75 ILE HD1 H 0.48 0.02 1 772 131 75 ILE C C 174.8 0.05 1 773 131 75 ILE CA C 58.7 0.05 1 774 131 75 ILE CB C 41.2 0.05 1 775 131 75 ILE CG1 C 26.6 0.05 1 776 131 75 ILE CG2 C 16.6 0.05 1 777 131 75 ILE CD1 C 15.7 0.05 1 778 131 75 ILE N N 119.8 0.05 1 779 132 76 THR H H 8.05 0.02 1 780 132 76 THR HA H 4.04 0.02 1 781 132 76 THR HB H 3.89 0.02 1 782 132 76 THR HG2 H 1.16 0.02 1 783 132 76 THR C C 175.1 0.05 1 784 132 76 THR CA C 63.2 0.05 1 785 132 76 THR CB C 68.8 0.05 1 786 132 76 THR CG2 C 22.4 0.05 1 787 132 76 THR N N 121.2 0.05 1 788 133 77 ASN H H 9 0.02 1 789 133 77 ASN HA H 4.03 0.02 1 790 133 77 ASN HB2 H 1.92 0.02 2 791 133 77 ASN HB3 H 2.44 0.02 2 792 133 77 ASN HD21 H 6.8 0.02 2 793 133 77 ASN HD22 H 7.27 0.02 2 794 133 77 ASN C C 172.8 0.05 1 795 133 77 ASN CA C 55.2 0.05 1 796 133 77 ASN CB C 36.2 0.05 1 797 133 77 ASN N N 117.9 0.05 1 798 133 77 ASN ND2 N 116.9 0.05 1 799 134 78 GLY H H 7.06 0.02 1 800 134 78 GLY HA2 H 4.01 0.02 2 801 134 78 GLY HA3 H 4.4 0.02 2 802 134 78 GLY C C 171 0.05 1 803 134 78 GLY CA C 46.4 0.05 1 804 134 78 GLY N N 102.6 0.05 1 805 135 79 ASP H H 8.75 0.02 1 806 135 79 ASP HA H 4.84 0.02 1 807 135 79 ASP HB2 H 2.5 0.02 2 808 135 79 ASP HB3 H 2.7 0.02 2 809 135 79 ASP C C 173.6 0.05 1 810 135 79 ASP CA C 52.7 0.05 1 811 135 79 ASP CB C 43.8 0.05 1 812 135 79 ASP N N 118.5 0.05 1 813 136 80 PHE H H 8.42 0.02 1 814 136 80 PHE HA H 5.33 0.02 1 815 136 80 PHE HB2 H 1.91 0.02 2 816 136 80 PHE HB3 H 2.2 0.02 2 817 136 80 PHE HD1 H 6.73 0.02 1 818 136 80 PHE HD2 H 6.73 0.02 1 819 136 80 PHE HE1 H 7.22 0.02 1 820 136 80 PHE HE2 H 7.22 0.02 1 821 136 80 PHE HZ H 7.26 0.02 1 822 136 80 PHE C C 174.4 0.05 1 823 136 80 PHE CA C 55.1 0.05 1 824 136 80 PHE CB C 41.3 0.05 1 825 136 80 PHE CD1 C 132.1 0.05 1 826 136 80 PHE CD2 C 132.1 0.05 1 827 136 80 PHE CE1 C 131.2 0.05 1 828 136 80 PHE CE2 C 131.2 0.05 1 829 136 80 PHE N N 114.4 0.05 1 830 137 81 ILE H H 9.07 0.02 1 831 137 81 ILE HA H 4.32 0.02 1 832 137 81 ILE HB H 1.77 0.02 1 833 137 81 ILE HG12 H 1.04 0.02 2 834 137 81 ILE HG13 H 1.39 0.02 2 835 137 81 ILE HG2 H 0.83 0.02 1 836 137 81 ILE HD1 H 0.75 0.02 1 837 137 81 ILE C C 175.7 0.05 1 838 137 81 ILE CA C 60.2 0.05 1 839 137 81 ILE CB C 40.6 0.05 1 840 137 81 ILE CG1 C 27.4 0.05 1 841 137 81 ILE CG2 C 17.8 0.05 1 842 137 81 ILE CD1 C 13.5 0.05 1 843 137 81 ILE N N 119.6 0.05 1 844 138 82 SER H H 8.14 0.02 1 845 138 82 SER HA H 4.88 0.02 1 846 138 82 SER HB2 H 4 0.02 2 847 138 82 SER HB3 H 4.4 0.02 2 848 138 82 SER C C 174.5 0.05 1 849 138 82 SER CA C 57.4 0.05 1 850 138 82 SER CB C 64.9 0.05 1 851 138 82 SER N N 118 0.05 1 852 139 83 THR HA H 4.16 0.02 1 853 139 83 THR HB H 4.31 0.02 1 854 139 83 THR HG2 H 1.33 0.02 1 855 139 83 THR C C 174.6 0.05 1 856 139 83 THR CA C 64.8 0.05 1 857 139 83 THR CB C 69 0.05 1 858 139 83 THR CG2 C 22.5 0.05 1 859 140 84 ASN H H 8.01 0.02 1 860 140 84 ASN HA H 4.78 0.02 1 861 140 84 ASN HB2 H 2.62 0.02 2 862 140 84 ASN HB3 H 2.8 0.02 2 863 140 84 ASN HD21 H 6.92 0.02 2 864 140 84 ASN HD22 H 7.47 0.02 2 865 140 84 ASN C C 174.3 0.05 1 866 140 84 ASN CA C 53 0.05 1 867 140 84 ASN CB C 40.6 0.05 1 868 140 84 ASN N N 118.5 0.05 1 869 140 84 ASN ND2 N 113.5 0.05 1 870 141 85 ARG H H 8.55 0.02 1 871 141 85 ARG HA H 4.44 0.02 1 872 141 85 ARG HB2 H 1.75 0.02 2 873 141 85 ARG HB3 H 2.11 0.02 2 874 141 85 ARG HG2 H 1.6 0.02 2 875 141 85 ARG HG3 H 1.72 0.02 2 876 141 85 ARG HD2 H 3.12 0.02 2 877 141 85 ARG HD3 H 3.2 0.02 2 878 141 85 ARG C C 175.3 0.05 1 879 141 85 ARG CA C 56.6 0.05 1 880 141 85 ARG CB C 30.8 0.05 1 881 141 85 ARG CG C 27.6 0.05 1 882 141 85 ARG CD C 43 0.05 1 883 141 85 ARG N N 119.8 0.05 1 884 142 86 GLU H H 7.93 0.02 1 885 142 86 GLU HA H 4.38 0.02 1 886 142 86 GLU HB2 H 1.91 0.02 2 887 142 86 GLU HB3 H 2.09 0.02 2 888 142 86 GLU HG2 H 2.16 0.02 1 889 142 86 GLU HG3 H 2.16 0.02 1 890 142 86 GLU C C 174.9 0.05 1 891 142 86 GLU CA C 56.6 0.05 1 892 142 86 GLU CB C 31.7 0.05 1 893 142 86 GLU CG C 36.4 0.05 1 894 142 86 GLU N N 116 0.05 1 895 143 87 ASN H H 7.56 0.02 1 896 143 87 ASN HA H 4.6 0.02 1 897 143 87 ASN HB2 H 2.48 0.02 2 898 143 87 ASN HB3 H 2.57 0.02 2 899 143 87 ASN HD21 H 6.85 0.02 2 900 143 87 ASN HD22 H 7.43 0.02 2 901 143 87 ASN C C 172.8 0.05 1 902 143 87 ASN CA C 52.9 0.05 1 903 143 87 ASN CB C 40.1 0.05 1 904 143 87 ASN N N 116.9 0.05 1 905 143 87 ASN ND2 N 113 0.05 1 906 144 88 PHE H H 8.42 0.02 1 907 144 88 PHE HA H 4.45 0.02 1 908 144 88 PHE HB2 H 2.9 0.02 1 909 144 88 PHE HB3 H 2.9 0.02 1 910 144 88 PHE HD1 H 7.21 0.02 1 911 144 88 PHE HD2 H 7.21 0.02 1 912 144 88 PHE HE1 H 7.18 0.02 1 913 144 88 PHE HE2 H 7.18 0.02 1 914 144 88 PHE C C 174.6 0.05 1 915 144 88 PHE CA C 57.6 0.05 1 916 144 88 PHE CB C 41.7 0.05 1 917 144 88 PHE CD1 C 131.9 0.05 1 918 144 88 PHE CD2 C 131.9 0.05 1 919 144 88 PHE CE1 C 131.9 0.05 1 920 144 88 PHE CE2 C 131.9 0.05 1 921 144 88 PHE N N 120.4 0.05 1 922 145 89 HIS HA H 5.31 0.02 1 923 145 89 HIS HD2 H 7.05 0.02 1 924 146 90 TYR H H 8.67 0.02 1 925 146 90 TYR HA H 3.57 0.02 1 926 146 90 TYR HB2 H 2.74 0.02 2 927 146 90 TYR HB3 H 2.88 0.02 2 928 146 90 TYR HD1 H 6.75 0.02 1 929 146 90 TYR HD2 H 6.75 0.02 1 930 146 90 TYR HE1 H 6.82 0.02 1 931 146 90 TYR HE2 H 6.82 0.02 1 932 146 90 TYR C C 176.3 0.05 1 933 146 90 TYR CA C 60.8 0.05 1 934 146 90 TYR CB C 39.6 0.05 1 935 146 90 TYR CD1 C 133.2 0.05 1 936 146 90 TYR CD2 C 133.2 0.05 1 937 146 90 TYR CE1 C 118.4 0.05 1 938 146 90 TYR CE2 C 118.4 0.05 1 939 146 90 TYR N N 122 0.05 1 940 147 91 GLY H H 8.89 0.02 1 941 147 91 GLY HA2 H 3.45 0.02 2 942 147 91 GLY HA3 H 4.49 0.02 2 943 147 91 GLY C C 175.3 0.05 1 944 147 91 GLY CA C 44.7 0.05 1 945 147 91 GLY N N 118.4 0.05 1 946 148 92 SER H H 9.05 0.02 1 947 148 92 SER HA H 4.47 0.02 1 948 148 92 SER HB2 H 4.03 0.02 2 949 148 92 SER HB3 H 4.25 0.02 2 950 148 92 SER C C 172.3 0.05 1 951 148 92 SER CA C 61.6 0.05 1 952 148 92 SER CB C 64.6 0.05 1 953 148 92 SER N N 118.9 0.05 1 954 149 93 VAL H H 8.46 0.02 1 955 149 93 VAL HA H 4.93 0.02 1 956 149 93 VAL HB H 1.96 0.02 1 957 149 93 VAL HG1 H 0.93 0.02 2 958 149 93 VAL HG2 H 0.96 0.02 2 959 149 93 VAL C C 176.2 0.05 1 960 149 93 VAL CA C 61.2 0.05 1 961 149 93 VAL CB C 34.9 0.05 1 962 149 93 VAL CG1 C 21 0.05 2 963 149 93 VAL CG2 C 21.6 0.05 2 964 149 93 VAL N N 122.9 0.05 1 965 150 94 VAL H H 9.02 0.02 1 966 150 94 VAL HA H 4.6 0.02 1 967 150 94 VAL HB H 1.39 0.02 1 968 150 94 VAL HG1 H 0.11 0.02 2 969 150 94 VAL HG2 H 0.19 0.02 2 970 150 94 VAL C C 173.7 0.05 1 971 150 94 VAL CA C 60.9 0.05 1 972 150 94 VAL CB C 34.5 0.05 1 973 150 94 VAL CG1 C 21.6 0.05 1 974 150 94 VAL CG2 C 21.6 0.05 1 975 150 94 VAL N N 126.7 0.05 1 976 151 95 THR H H 8.05 0.02 1 977 151 95 THR HA H 5.13 0.02 1 978 151 95 THR HB H 3.75 0.02 1 979 151 95 THR HG2 H 1.18 0.02 1 980 151 95 THR C C 173.6 0.05 1 981 151 95 THR CA C 61.3 0.05 1 982 151 95 THR CB C 71.2 0.05 1 983 151 95 THR CG2 C 21.7 0.05 1 984 151 95 THR N N 120.1 0.05 1 985 152 96 TYR H H 9.23 0.02 1 986 152 96 TYR HA H 4.97 0.02 1 987 152 96 TYR HB2 H 2.61 0.02 2 988 152 96 TYR HB3 H 2.71 0.02 2 989 152 96 TYR HD1 H 6.95 0.02 1 990 152 96 TYR HD2 H 6.95 0.02 1 991 152 96 TYR HE1 H 6.4 0.02 1 992 152 96 TYR HE2 H 6.4 0.02 1 993 152 96 TYR C C 174.1 0.05 1 994 152 96 TYR CA C 58.8 0.05 1 995 152 96 TYR CB C 41.7 0.05 1 996 152 96 TYR CD1 C 133.4 0.05 1 997 152 96 TYR CD2 C 133.4 0.05 1 998 152 96 TYR CE1 C 117.5 0.05 1 999 152 96 TYR CE2 C 117.5 0.05 1 1000 152 96 TYR N N 126.6 0.05 1 1001 153 97 ARG H H 8.65 0.02 1 1002 153 97 ARG HA H 4.57 0.02 1 1003 153 97 ARG HB2 H 1.78 0.02 1 1004 153 97 ARG HB3 H 1.78 0.02 1 1005 153 97 ARG HG2 H 1.5 0.02 2 1006 153 97 ARG HG3 H 1.56 0.02 2 1007 153 97 ARG HD2 H 3.07 0.02 1 1008 153 97 ARG HD3 H 3.07 0.02 1 1009 153 97 ARG C C 175 0.05 1 1010 153 97 ARG CA C 54.8 0.05 1 1011 153 97 ARG CB C 33.2 0.05 1 1012 153 97 ARG CG C 26.1 0.05 1 1013 153 97 ARG CD C 43.9 0.05 1 1014 153 97 ARG N N 115 0.05 1 1015 154 98 CYS H H 8.85 0.02 1 1016 154 98 CYS HA H 5.22 0.02 1 1017 154 98 CYS HB2 H 2.7 0.02 1 1018 154 98 CYS HB3 H 3.09 0.02 1 1019 154 98 CYS C C 175.3 0.05 1 1020 154 98 CYS CA C 53.6 0.05 1 1021 154 98 CYS CB C 39.8 0.05 1 1022 154 98 CYS N N 119.6 0.05 1 1023 155 99 ASN H H 8.92 0.02 1 1024 155 99 ASN HA H 4.79 0.02 1 1025 155 99 ASN HB2 H 2.57 0.02 2 1026 155 99 ASN HB3 H 2.88 0.02 2 1027 155 99 ASN HD21 H 7.61 0.02 2 1028 155 99 ASN HD22 H 6.9 0.02 2 1029 155 99 ASN C C 173.6 0.05 1 1030 155 99 ASN CA C 51.5 0.05 1 1031 155 99 ASN CB C 37.4 0.05 1 1032 155 99 ASN N N 124.2 0.05 1 1033 155 99 ASN ND2 N 110 0.05 1 1034 156 100 PRO HA H 4.66 0.02 1 1035 156 100 PRO HB2 H 1.97 0.02 2 1036 156 100 PRO HB3 H 2.22 0.02 2 1037 156 100 PRO HG2 H 2.01 0.02 1 1038 156 100 PRO HG3 H 2.01 0.02 1 1039 156 100 PRO HD2 H 3.67 0.02 2 1040 156 100 PRO HD3 H 3.94 0.02 2 1041 156 100 PRO C C 177.4 0.05 1 1042 156 100 PRO CA C 62.8 0.05 1 1043 156 100 PRO CB C 32.5 0.05 1 1044 156 100 PRO CG C 27.3 0.05 1 1045 156 100 PRO CD C 50.8 0.05 1 1046 157 101 GLY H H 8.52 0.02 1 1047 157 101 GLY HA2 H 3.56 0.02 2 1048 157 101 GLY HA3 H 4.22 0.02 2 1049 157 101 GLY C C 174 0.05 1 1050 157 101 GLY CA C 44.3 0.05 1 1051 157 101 GLY N N 107.9 0.05 1 1052 159 103 GLY HA2 H 3.86 0.02 2 1053 159 103 GLY HA3 H 3.98 0.02 2 1054 159 103 GLY C C 175 0.05 1 1055 159 103 GLY CA C 46.3 0.05 1 1056 160 104 GLY H H 8.25 0.02 1 1057 160 104 GLY HA2 H 3.68 0.02 2 1058 160 104 GLY HA3 H 4.12 0.02 2 1059 160 104 GLY C C 174.2 0.05 1 1060 160 104 GLY CA C 45.5 0.05 1 1061 160 104 GLY N N 107.7 0.05 1 1062 161 105 ARG H H 7.13 0.02 1 1063 161 105 ARG HA H 4.16 0.02 1 1064 161 105 ARG HB2 H 1.68 0.02 1 1065 161 105 ARG HB3 H 1.68 0.02 1 1066 161 105 ARG HG2 H 1.55 0.02 1 1067 161 105 ARG HG3 H 1.55 0.02 1 1068 161 105 ARG HD2 H 3.12 0.02 1 1069 161 105 ARG HD3 H 3.12 0.02 1 1070 161 105 ARG C C 175.3 0.05 1 1071 161 105 ARG CA C 56 0.05 1 1072 161 105 ARG CB C 31.2 0.05 1 1073 161 105 ARG CG C 27.5 0.05 1 1074 161 105 ARG CD C 43.5 0.05 1 1075 161 105 ARG N N 120.1 0.05 1 1076 162 106 LYS H H 8.27 0.02 1 1077 162 106 LYS HA H 4.18 0.02 1 1078 162 106 LYS HB2 H 1.68 0.02 2 1079 162 106 LYS HB3 H 1.73 0.02 2 1080 162 106 LYS HG2 H 1.13 0.02 2 1081 162 106 LYS HG3 H 1.35 0.02 2 1082 162 106 LYS HD2 H 1.61 0.02 1 1083 162 106 LYS HD3 H 1.61 0.02 1 1084 162 106 LYS HE2 H 2.88 0.02 1 1085 162 106 LYS HE3 H 2.88 0.02 1 1086 162 106 LYS C C 175.9 0.05 1 1087 162 106 LYS CA C 57.1 0.05 1 1088 162 106 LYS CB C 32.6 0.05 1 1089 162 106 LYS CG C 25 0.05 1 1090 162 106 LYS CD C 29.6 0.05 1 1091 162 106 LYS CE C 42.2 0.05 1 1092 162 106 LYS N N 123.3 0.05 1 1093 163 107 VAL H H 8.45 0.02 1 1094 163 107 VAL HA H 4.07 0.02 1 1095 163 107 VAL HB H 1.69 0.02 1 1096 163 107 VAL HG1 H 0.57 0.02 2 1097 163 107 VAL HG2 H 0.55 0.02 2 1098 163 107 VAL C C 175 0.05 1 1099 163 107 VAL CA C 62 0.05 1 1100 163 107 VAL CB C 33.9 0.05 1 1101 163 107 VAL CG1 C 20 0.05 2 1102 163 107 VAL CG2 C 21.4 0.05 2 1103 163 107 VAL N N 122.9 0.05 1 1104 164 108 PHE H H 8.16 0.02 1 1105 164 108 PHE HA H 4.87 0.02 1 1106 164 108 PHE HB2 H 2.67 0.02 2 1107 164 108 PHE HB3 H 3.04 0.02 2 1108 164 108 PHE HD1 H 7.26 0.02 1 1109 164 108 PHE HD2 H 7.26 0.02 1 1110 164 108 PHE C C 174.8 0.05 1 1111 164 108 PHE CA C 57.1 0.05 1 1112 164 108 PHE CB C 42.4 0.05 1 1113 164 108 PHE CD1 C 131.9 0.05 1 1114 164 108 PHE CD2 C 131.9 0.05 1 1115 164 108 PHE N N 121.6 0.05 1 1116 165 109 GLU H H 9.56 0.02 1 1117 165 109 GLU HA H 4.42 0.02 1 1118 165 109 GLU HB2 H 1.82 0.02 2 1119 165 109 GLU HB3 H 1.94 0.02 2 1120 165 109 GLU HG2 H 2.18 0.02 1 1121 165 109 GLU HG3 H 2.18 0.02 1 1122 165 109 GLU C C 174.4 0.05 1 1123 165 109 GLU CA C 54.7 0.05 1 1124 165 109 GLU CB C 32 0.05 1 1125 165 109 GLU CG C 36 0.05 1 1126 165 109 GLU N N 122.9 0.05 1 1127 166 110 LEU H H 8.19 0.02 1 1128 166 110 LEU HA H 4.88 0.02 1 1129 166 110 LEU HB2 H 1.65 0.02 2 1130 166 110 LEU HB3 H 1.79 0.02 2 1131 166 110 LEU HG H 1.31 0.02 1 1132 166 110 LEU HD1 H 0.73 0.02 1 1133 166 110 LEU HD2 H 0.73 0.02 1 1134 166 110 LEU C C 177 0.05 1 1135 166 110 LEU CA C 55.3 0.05 1 1136 166 110 LEU CB C 42.5 0.05 1 1137 166 110 LEU CG C 28.2 0.05 1 1138 166 110 LEU CD1 C 26.8 0.05 1 1139 166 110 LEU CD2 C 26.8 0.05 1 1140 166 110 LEU N N 126.9 0.05 1 1141 167 111 VAL H H 9.56 0.02 1 1142 167 111 VAL HA H 4.26 0.02 1 1143 167 111 VAL HB H 1.86 0.02 1 1144 167 111 VAL HG1 H 0.87 0.02 1 1145 167 111 VAL HG2 H 0.87 0.02 1 1146 167 111 VAL C C 175.4 0.05 1 1147 167 111 VAL CA C 62.5 0.05 1 1148 167 111 VAL CB C 33.8 0.05 1 1149 167 111 VAL CG1 C 21 0.05 1 1150 167 111 VAL CG2 C 21 0.05 1 1151 167 111 VAL N N 130.6 0.05 1 1152 168 112 GLY H H 8.44 0.02 1 1153 168 112 GLY HA2 H 3.66 0.02 2 1154 168 112 GLY HA3 H 4.48 0.02 2 1155 168 112 GLY C C 172.5 0.05 1 1156 168 112 GLY CA C 42.7 0.05 1 1157 168 112 GLY N N 116.6 0.05 1 1158 169 113 GLU H H 7.96 0.02 1 1159 169 113 GLU HA H 4.55 0.02 1 1160 169 113 GLU HB2 H 1.99 0.02 2 1161 169 113 GLU HB3 H 2.09 0.02 2 1162 169 113 GLU HG2 H 2.36 0.02 2 1163 169 113 GLU HG3 H 2.44 0.02 2 1164 169 113 GLU C C 176.4 0.05 1 1165 169 113 GLU CA C 53.8 0.05 1 1166 169 113 GLU CB C 29.8 0.05 1 1167 169 113 GLU CG C 36.5 0.05 1 1168 169 113 GLU N N 121 0.05 1 1169 170 114 PRO HA H 4.31 0.02 1 1170 170 114 PRO HB2 H 2.19 0.02 2 1171 170 114 PRO HB3 H 2.34 0.02 2 1172 170 114 PRO HG2 H 2.06 0.02 2 1173 170 114 PRO HG3 H 2.12 0.02 2 1174 170 114 PRO HD2 H 3.91 0.02 2 1175 170 114 PRO HD3 H 3.97 0.02 2 1176 170 114 PRO C C 175.9 0.05 1 1177 170 114 PRO CA C 65 0.05 1 1178 170 114 PRO CB C 33.1 0.05 1 1179 170 114 PRO CG C 27.5 0.05 1 1180 170 114 PRO CD C 51.2 0.05 1 1181 171 115 SER H H 7.79 0.02 1 1182 171 115 SER HA H 5.94 0.02 1 1183 171 115 SER HB2 H 3.68 0.02 1 1184 171 115 SER HB3 H 3.68 0.02 1 1185 171 115 SER C C 173.3 0.05 1 1186 171 115 SER CA C 57 0.05 1 1187 171 115 SER CB C 65.6 0.05 1 1188 171 115 SER N N 110.9 0.05 1 1189 172 116 ILE H H 8.65 0.02 1 1190 172 116 ILE HA H 4.56 0.02 1 1191 172 116 ILE HB H 1.99 0.02 1 1192 172 116 ILE HG12 H 0.91 0.02 2 1193 172 116 ILE HG13 H 1.34 0.02 2 1194 172 116 ILE HG2 H 0.69 0.02 1 1195 172 116 ILE HD1 H 0.48 0.02 1 1196 172 116 ILE C C 173.5 0.05 1 1197 172 116 ILE CA C 60.2 0.05 1 1198 172 116 ILE CB C 43 0.05 1 1199 172 116 ILE CG1 C 25.6 0.05 1 1200 172 116 ILE CG2 C 17.7 0.05 1 1201 172 116 ILE CD1 C 13.9 0.05 1 1202 172 116 ILE N N 116.8 0.05 1 1203 173 117 TYR H H 8.83 0.02 1 1204 173 117 TYR HA H 6.01 0.02 1 1205 173 117 TYR HB2 H 2.69 0.02 2 1206 173 117 TYR HB3 H 2.86 0.02 2 1207 173 117 TYR HD1 H 6.82 0.02 1 1208 173 117 TYR HD2 H 6.82 0.02 1 1209 173 117 TYR HE1 H 6.68 0.02 1 1210 173 117 TYR HE2 H 6.68 0.02 1 1211 173 117 TYR C C 174.4 0.05 1 1212 173 117 TYR CA C 55.2 0.05 1 1213 173 117 TYR CB C 42.3 0.05 1 1214 173 117 TYR CD1 C 134 0.05 1 1215 173 117 TYR CD2 C 134 0.05 1 1216 173 117 TYR CE1 C 117.9 0.05 1 1217 173 117 TYR CE2 C 117.9 0.05 1 1218 173 117 TYR N N 115.9 0.05 1 1219 174 118 CYS H H 8.36 0.02 1 1220 174 118 CYS HA H 3.75 0.02 1 1221 174 118 CYS HB2 H 1.37 0.02 2 1222 174 118 CYS HB3 H 2.55 0.02 2 1223 174 118 CYS C C 173.6 0.05 1 1224 174 118 CYS CA C 54.7 0.05 1 1225 174 118 CYS CB C 40 0.05 1 1226 174 118 CYS N N 122.4 0.05 1 1227 175 119 THR H H 9.09 0.02 1 1228 175 119 THR HA H 4.4 0.02 1 1229 175 119 THR HB H 3.79 0.02 1 1230 175 119 THR HG2 H 0.87 0.02 1 1231 175 119 THR C C 171.7 0.05 1 1232 175 119 THR CA C 58.1 0.05 1 1233 175 119 THR CB C 70.3 0.05 1 1234 175 119 THR CG2 C 18.5 0.05 1 1235 175 119 THR N N 129.1 0.05 1 1236 176 120 SER H H 8.42 0.02 1 1237 176 120 SER HA H 4.95 0.02 1 1238 176 120 SER HB2 H 3.59 0.02 2 1239 176 120 SER HB3 H 3.93 0.02 2 1240 176 120 SER C C 174.4 0.05 1 1241 176 120 SER CA C 58.2 0.05 1 1242 176 120 SER CB C 65.8 0.05 1 1243 176 120 SER N N 112.8 0.05 1 1244 177 121 ASN HD21 H 7.51 0.02 2 1245 177 121 ASN HD22 H 6.85 0.02 2 1246 177 121 ASN ND2 N 111.6 0.05 1 1247 178 122 ASP H H 8.31 0.02 1 1248 178 122 ASP N N 119.1 0.05 1 1249 180 124 GLN H H 8.42 0.02 1 1250 180 124 GLN HE21 H 7.34 0.02 2 1251 180 124 GLN HE22 H 6.85 0.02 2 1252 180 124 GLN N N 114.4 0.05 1 1253 180 124 GLN NE2 N 111.4 0.05 1 1254 181 125 VAL HA H 4.34 0.02 1 1255 181 125 VAL HB H 2.11 0.02 1 1256 181 125 VAL HG1 H 0.94 0.02 1 1257 181 125 VAL HG2 H 0.94 0.02 1 1258 181 125 VAL C C 176.4 0.05 1 1259 181 125 VAL CA C 61.1 0.05 1 1260 181 125 VAL CB C 34.8 0.05 1 1261 181 125 VAL CG1 C 21.1 0.05 2 1262 181 125 VAL CG2 C 21.5 0.05 2 1263 182 126 GLY H H 8.54 0.02 1 1264 182 126 GLY HA2 H 3.65 0.02 2 1265 182 126 GLY HA3 H 4.65 0.02 2 1266 182 126 GLY C C 173.7 0.05 1 1267 182 126 GLY CA C 45.4 0.05 1 1268 182 126 GLY N N 116.5 0.05 1 1269 183 127 ILE H H 8.53 0.02 1 1270 183 127 ILE HA H 4.36 0.02 1 1271 183 127 ILE HB H 1.74 0.02 1 1272 183 127 ILE HG12 H 0.88 0.02 2 1273 183 127 ILE HG13 H 1.17 0.02 2 1274 183 127 ILE HG2 H 0.79 0.02 1 1275 183 127 ILE HD1 H 0.72 0.02 1 1276 183 127 ILE C C 173.7 0.05 1 1277 183 127 ILE CA C 59 0.05 1 1278 183 127 ILE CB C 42.6 0.05 1 1279 183 127 ILE CG1 C 26.3 0.05 1 1280 183 127 ILE CG2 C 18.4 0.05 1 1281 183 127 ILE CD1 C 14 0.05 1 1282 183 127 ILE N N 122.6 0.05 1 1283 184 128 TRP H H 8.16 0.02 1 1284 184 128 TRP HA H 4.71 0.02 1 1285 184 128 TRP HB2 H 2.96 0.02 2 1286 184 128 TRP HB3 H 3.19 0.02 2 1287 184 128 TRP HD1 H 7.05 0.02 1 1288 184 128 TRP HE1 H 8.95 0.02 1 1289 184 128 TRP HE3 H 6.94 0.02 1 1290 184 128 TRP HZ2 H 6.77 0.02 1 1291 184 128 TRP HZ3 H 6.69 0.02 1 1292 184 128 TRP HH2 H 6.41 0.02 1 1293 184 128 TRP C C 179.4 0.05 1 1294 184 128 TRP CA C 57.4 0.05 1 1295 184 128 TRP CB C 30.1 0.05 1 1296 184 128 TRP CD1 C 126.4 0.05 1 1297 184 128 TRP CD2 C 126.4 0.05 1 1298 184 128 TRP CE2 C 119.8 0.05 1 1299 184 128 TRP CE3 C 119.8 0.05 1 1300 184 128 TRP CZ2 C 113.6 0.05 1 1301 184 128 TRP CZ3 C 121.8 0.05 1 1302 184 128 TRP CH2 C 123.1 0.05 1 1303 184 128 TRP N N 122.7 0.05 1 1304 184 128 TRP NE1 N 128.2 0.05 1 1305 185 129 SER H H 9.04 0.02 1 1306 185 129 SER HA H 3.64 0.02 1 1307 185 129 SER HB2 H 2.91 0.02 2 1308 185 129 SER HB3 H 3.71 0.02 2 1309 185 129 SER HG H 6.12 0.02 1 1310 185 129 SER C C 173.7 0.05 1 1311 185 129 SER CA C 61.1 0.05 1 1312 185 129 SER CB C 62.2 0.05 1 1313 185 129 SER N N 115.9 0.05 1 1314 186 130 GLY H H 7.18 0.02 1 1315 186 130 GLY HA2 H 4.11 0.02 2 1316 186 130 GLY HA3 H 4.22 0.02 2 1317 186 130 GLY C C 169.6 0.05 1 1318 186 130 GLY CA C 44.8 0.05 1 1319 186 130 GLY N N 108.7 0.05 1 1320 187 131 PRO HA H 4.43 0.02 1 1321 187 131 PRO HB2 H 2.13 0.02 2 1322 187 131 PRO HB3 H 1.96 0.02 2 1323 187 131 PRO HG2 H 1.77 0.02 2 1324 187 131 PRO HG3 H 1.94 0.02 2 1325 187 131 PRO HD2 H 3.45 0.02 2 1326 187 131 PRO HD3 H 3.55 0.02 2 1327 187 131 PRO C C 175.6 0.05 1 1328 187 131 PRO CA C 61.6 0.05 1 1329 187 131 PRO CB C 32.4 0.05 1 1330 187 131 PRO CG C 26.4 0.05 1 1331 187 131 PRO CD C 49.1 0.05 1 1332 188 132 ALA H H 7.85 0.02 1 1333 188 132 ALA HA H 3.73 0.02 1 1334 188 132 ALA HB H 0.68 0.02 1 1335 188 132 ALA C C 175.7 0.05 1 1336 188 132 ALA CA C 50.3 0.05 1 1337 188 132 ALA CB C 16.9 0.05 1 1338 188 132 ALA N N 121 0.05 1 1339 189 133 PRO HA H 4.55 0.02 1 1340 189 133 PRO HD2 H 2.13 0.02 2 1341 189 133 PRO HD3 H 3.03 0.02 2 1342 189 133 PRO C C 172.7 0.05 1 1343 189 133 PRO CA C 62.3 0.05 1 1344 189 133 PRO CB C 32.1 0.05 1 1345 189 133 PRO CD C 49.4 0.05 . 1346 190 134 GLN H H 8.01 0.02 1 1347 190 134 GLN HA H 4.55 0.02 1 1348 190 134 GLN HB2 H 1.94 0.02 2 1349 190 134 GLN HB3 H 1.69 0.02 2 1350 190 134 GLN HG2 H 2.18 0.02 1 1351 190 134 GLN HG3 H 2.18 0.02 1 1352 190 134 GLN HE21 H 7.3 0.02 1 1353 190 134 GLN HE22 H 6.64 0.02 1 1354 190 134 GLN C C 174.3 0.05 1 1355 190 134 GLN CA C 54.1 0.05 1 1356 190 134 GLN CB C 33.4 0.05 1 1357 190 134 GLN CG C 34.6 0.05 1 1358 190 134 GLN N N 112.1 0.05 1 1359 190 134 GLN NE2 N 111.1 0.05 1 1360 191 135 CYS H H 8.75 0.02 1 1361 191 135 CYS HA H 5.31 0.02 1 1362 191 135 CYS HB2 H 2.23 0.02 2 1363 191 135 CYS HB3 H 2.72 0.02 2 1364 191 135 CYS C C 173.9 0.05 1 1365 191 135 CYS CA C 56.4 0.05 1 1366 191 135 CYS CB C 43.3 0.05 1 1367 191 135 CYS N N 121.7 0.05 1 1368 192 136 ILE H H 9.04 0.02 1 1369 192 136 ILE HA H 4.41 0.02 1 1370 192 136 ILE HB H 1.89 0.02 1 1371 192 136 ILE HG12 H 1.1 0.02 2 1372 192 136 ILE HG13 H 1.42 0.02 2 1373 192 136 ILE HG2 H 0.88 0.02 1 1374 192 136 ILE HD1 H 0.8 0.02 1 1375 192 136 ILE C C 180.9 0.05 1 1376 192 136 ILE CA C 62.4 0.05 1 1377 192 136 ILE CB C 41.3 0.05 1 1378 192 136 ILE CG1 C 26.9 0.05 1 1379 192 136 ILE CG2 C 18.3 0.05 1 1380 192 136 ILE CD1 C 13.4 0.05 1 1381 192 136 ILE N N 127.1 0.05 1 stop_ save_