data_6726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of self-sacrificing resistance protein CalC from Micromonospora echinospora ; _BMRB_accession_number 6726 _BMRB_flat_file_name bmr6726.str _Entry_type original _Submission_date 2005-07-08 _Accession_date 2005-07-11 _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 Singh Shanteri . . 2 Thorson Jon S. . 3 Hager Martin H. . 4 Hallenga Klaas . . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 807 "13C chemical shifts" 596 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-06 original author . stop_ _Original_release_date 2006-09-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insight into the Self-Sacrifice Mechanism of Enediyne Resistance' _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 Singh Shanteri . . 2 Hager Martin H. . 3 Zhang Changsheng . . 4 Griffith Bryon R. . 5 Lee Min S. . 6 Hallenga Klaas . . 7 Markley John L. . 8 Thorson Jon S. . stop_ _Journal_abbreviation 'Chem. Biol.' _Journal_volume 1 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 451 _Page_last 460 _Year 2006 _Details . loop_ _Keyword CalC calicheamicin resistance self-sacrifice stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CalC monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'self-sacrificing resistance protein' $CalC stop_ _System_molecular_weight 18500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CalC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CalC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; NYDPFVRHSVTVKADRKTAF KTFLEGFPEWWPNNFRTTKV GAPLGVDKKGGRWYEIDEQG EEHTFGLIRKVDEPDTLVIG WRLNGFGRIDPDNSSEFTVT FVADGQKKTRVDVEHTHFDR MGTKHAKRVRNGMDKGWPTI LQSFQDKIDEEGAKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 27 ASN 2 28 TYR 3 29 ASP 4 30 PRO 5 31 PHE 6 32 VAL 7 33 ARG 8 34 HIS 9 35 SER 10 36 VAL 11 37 THR 12 38 VAL 13 39 LYS 14 40 ALA 15 41 ASP 16 42 ARG 17 43 LYS 18 44 THR 19 45 ALA 20 46 PHE 21 47 LYS 22 48 THR 23 49 PHE 24 50 LEU 25 51 GLU 26 52 GLY 27 53 PHE 28 54 PRO 29 55 GLU 30 56 TRP 31 57 TRP 32 58 PRO 33 59 ASN 34 60 ASN 35 61 PHE 36 62 ARG 37 63 THR 38 64 THR 39 65 LYS 40 66 VAL 41 67 GLY 42 68 ALA 43 69 PRO 44 70 LEU 45 71 GLY 46 72 VAL 47 73 ASP 48 74 LYS 49 75 LYS 50 76 GLY 51 77 GLY 52 78 ARG 53 79 TRP 54 80 TYR 55 81 GLU 56 82 ILE 57 83 ASP 58 84 GLU 59 85 GLN 60 86 GLY 61 87 GLU 62 88 GLU 63 89 HIS 64 90 THR 65 91 PHE 66 92 GLY 67 93 LEU 68 94 ILE 69 95 ARG 70 96 LYS 71 97 VAL 72 98 ASP 73 99 GLU 74 100 PRO 75 101 ASP 76 102 THR 77 103 LEU 78 104 VAL 79 105 ILE 80 106 GLY 81 107 TRP 82 108 ARG 83 109 LEU 84 110 ASN 85 111 GLY 86 112 PHE 87 113 GLY 88 114 ARG 89 115 ILE 90 116 ASP 91 117 PRO 92 118 ASP 93 119 ASN 94 120 SER 95 121 SER 96 122 GLU 97 123 PHE 98 124 THR 99 125 VAL 100 126 THR 101 127 PHE 102 128 VAL 103 129 ALA 104 130 ASP 105 131 GLY 106 132 GLN 107 133 LYS 108 134 LYS 109 135 THR 110 136 ARG 111 137 VAL 112 138 ASP 113 139 VAL 114 140 GLU 115 141 HIS 116 142 THR 117 143 HIS 118 144 PHE 119 145 ASP 120 146 ARG 121 147 MET 122 148 GLY 123 149 THR 124 150 LYS 125 151 HIS 126 152 ALA 127 153 LYS 128 154 ARG 129 155 VAL 130 156 ARG 131 157 ASN 132 158 GLY 133 159 MET 134 160 ASP 135 161 LYS 136 162 GLY 137 163 TRP 138 164 PRO 139 165 THR 140 166 ILE 141 167 LEU 142 168 GLN 143 169 SER 144 170 PHE 145 171 GLN 146 172 ASP 147 173 LYS 148 174 ILE 149 175 ASP 150 176 GLU 151 177 GLU 152 178 GLY 153 179 ALA 154 180 LYS 155 181 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 1ZXF "Solution Structure Of A Self-Sacrificing Resistance Protein, Calc From Micromonospora Echinospora" 100.00 155 100.00 100.00 3.39e-108 PDB 2GKD "Structural Insight Into Self-Sacrifice Mechanism Of Enediyne Resistance" 100.00 155 100.00 100.00 3.39e-108 PDB 2L65 "Haddock Calculated Model Of The Complex Of The Resistance Protein Calc And Calicheamicin-Gamma" 100.00 155 100.00 100.00 3.39e-108 GB AAM70338 "CalC [Micromonospora echinospora]" 100.00 181 100.00 100.00 3.27e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CalC 'Micromonospora echinospora' 1877 Eubacteria . Micromonospora echinospora 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 $CalC 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CalC 0.8 mM 0.7 0.9 '[U-95% 13C; U-90% 15N]' NaPO4 10 mM . . . NaCl 150 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-INOVA _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-INOVA _Field_strength 800 _Details . save_ save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(C)CH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(C)CH TOCSY' _Sample_label . save_ save_(H)CCH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '(H)CCH TOCSY' _Sample_label . save_ save_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 0.025 M pH 7.3 0.2 pH temperature 303 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'self-sacrificing resistance 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 27 1 ASN HA H 4.795 0.03 1 2 27 1 ASN HB2 H 2.860 0.03 2 3 27 1 ASN HB3 H 2.921 0.03 2 4 27 1 ASN HD21 H 6.959 0.03 2 5 27 1 ASN HD22 H 7.598 0.03 2 6 27 1 ASN C C 173.990 0.3 1 7 27 1 ASN CA C 53.452 0.3 1 8 27 1 ASN CB C 38.500 0.3 1 9 27 1 ASN ND2 N 111.396 0.3 1 10 28 2 TYR H H 7.197 0.03 1 11 28 2 TYR HA H 4.700 0.03 1 12 28 2 TYR HB2 H 2.816 0.03 2 13 28 2 TYR HB3 H 3.003 0.03 2 14 28 2 TYR C C 173.033 0.3 1 15 28 2 TYR CA C 56.036 0.3 1 16 28 2 TYR CB C 39.448 0.3 1 17 28 2 TYR N N 114.609 0.3 1 18 29 3 ASP H H 8.605 0.03 1 19 29 3 ASP HA H 4.881 0.03 1 20 29 3 ASP HB2 H 2.660 0.03 2 21 29 3 ASP HB3 H 3.003 0.03 2 22 29 3 ASP CA C 51.356 0.3 1 23 29 3 ASP CB C 41.635 0.3 1 24 29 3 ASP N N 123.584 0.3 1 25 30 4 PRO HA H 4.606 0.03 1 26 30 4 PRO HB2 H 2.029 0.03 2 27 30 4 PRO HB3 H 1.767 0.03 2 28 30 4 PRO HG2 H 2.639 0.03 2 29 30 4 PRO HG3 H 2.287 0.03 2 30 30 4 PRO HD2 H 3.974 0.03 2 31 30 4 PRO HD3 H 4.103 0.03 2 32 30 4 PRO C C 176.747 0.3 1 33 30 4 PRO CA C 64.016 0.3 1 34 30 4 PRO CB C 32.725 0.3 1 35 30 4 PRO CG C 26.978 0.3 1 36 30 4 PRO CD C 50.959 0.3 1 37 31 5 PHE H H 8.797 0.03 1 38 31 5 PHE HA H 5.275 0.03 1 39 31 5 PHE HB2 H 3.093 0.03 2 40 31 5 PHE HB3 H 2.722 0.03 2 41 31 5 PHE HD2 H 6.446 0.03 3 42 31 5 PHE C C 175.029 0.3 1 43 31 5 PHE CA C 58.176 0.3 1 44 31 5 PHE CB C 43.059 0.3 1 45 31 5 PHE N N 120.227 0.3 1 46 32 6 VAL H H 9.119 0.03 1 47 32 6 VAL HA H 4.370 0.03 1 48 32 6 VAL HB H 2.392 0.03 1 49 32 6 VAL HG1 H 1.355 0.03 2 50 32 6 VAL HG2 H 1.112 0.03 2 51 32 6 VAL C C 174.633 0.3 1 52 32 6 VAL CA C 62.321 0.3 1 53 32 6 VAL CB C 35.328 0.3 1 54 32 6 VAL CG1 C 22.542 0.3 1 55 32 6 VAL CG2 C 23.900 0.3 1 56 32 6 VAL N N 123.079 0.3 1 57 33 7 ARG H H 8.559 0.03 1 58 33 7 ARG HA H 5.477 0.03 1 59 33 7 ARG HB2 H 1.526 0.03 2 60 33 7 ARG HB3 H 1.670 0.03 2 61 33 7 ARG HG2 H 1.520 0.03 2 62 33 7 ARG HG3 H 1.570 0.03 2 63 33 7 ARG HD2 H 3.020 0.03 1 64 33 7 ARG HD3 H 3.020 0.03 1 65 33 7 ARG C C 174.279 0.3 1 66 33 7 ARG CA C 55.132 0.3 1 67 33 7 ARG CB C 33.505 0.3 1 68 33 7 ARG CG C 29.207 0.3 1 69 33 7 ARG CD C 43.367 0.3 1 70 33 7 ARG N N 127.618 0.3 1 71 34 8 HIS H H 8.014 0.03 1 72 34 8 HIS HA H 4.738 0.03 1 73 34 8 HIS HB2 H 2.214 0.03 2 74 34 8 HIS HB3 H 3.125 0.03 2 75 34 8 HIS C C 173.066 0.3 1 76 34 8 HIS CA C 56.336 0.3 1 77 34 8 HIS CB C 37.730 0.3 1 78 34 8 HIS N N 119.810 0.3 1 79 35 9 SER H H 8.348 0.03 1 80 35 9 SER HA H 5.890 0.03 1 81 35 9 SER HB2 H 3.600 0.03 1 82 35 9 SER HB3 H 3.600 0.03 1 83 35 9 SER C C 174.216 0.3 1 84 35 9 SER CA C 56.976 0.3 1 85 35 9 SER CB C 66.376 0.3 1 86 35 9 SER N N 114.487 0.3 1 87 36 10 VAL H H 8.874 0.03 1 88 36 10 VAL HA H 4.635 0.03 1 89 36 10 VAL HB H 2.157 0.03 1 90 36 10 VAL HG1 H 1.000 0.03 2 91 36 10 VAL HG2 H 1.012 0.03 2 92 36 10 VAL C C 172.604 0.3 1 93 36 10 VAL CA C 60.905 0.3 1 94 36 10 VAL CB C 36.225 0.3 1 95 36 10 VAL CG1 C 20.926 0.3 1 96 36 10 VAL CG2 C 22.255 0.3 1 97 36 10 VAL N N 120.810 0.3 1 98 37 11 THR H H 8.494 0.03 1 99 37 11 THR HA H 5.295 0.03 1 100 37 11 THR HB H 3.950 0.03 1 101 37 11 THR HG2 H 1.124 0.03 1 102 37 11 THR C C 174.522 0.3 1 103 37 11 THR CA C 62.180 0.3 1 104 37 11 THR CB C 69.714 0.3 1 105 37 11 THR CG2 C 21.688 0.3 1 106 37 11 THR N N 120.519 0.3 1 107 38 12 VAL H H 9.377 0.03 1 108 38 12 VAL HA H 5.080 0.03 1 109 38 12 VAL HB H 2.010 0.03 1 110 38 12 VAL HG1 H 0.920 0.03 2 111 38 12 VAL HG2 H 0.750 0.03 2 112 38 12 VAL C C 175.398 0.3 1 113 38 12 VAL CA C 57.957 0.3 1 114 38 12 VAL CB C 34.359 0.3 1 115 38 12 VAL CG1 C 18.394 0.3 1 116 38 12 VAL CG2 C 22.311 0.3 1 117 38 12 VAL N N 118.188 0.3 1 118 39 13 LYS H H 9.125 0.03 1 119 39 13 LYS HA H 4.669 0.03 1 120 39 13 LYS HB2 H 1.961 0.03 2 121 39 13 LYS HB3 H 1.667 0.03 2 122 39 13 LYS HG2 H 1.585 0.03 2 123 39 13 LYS HG3 H 1.307 0.03 2 124 39 13 LYS HD2 H 1.688 0.03 2 125 39 13 LYS HD3 H 1.671 0.03 2 126 39 13 LYS HE2 H 3.000 0.03 2 127 39 13 LYS HE3 H 2.957 0.03 2 128 39 13 LYS C C 174.939 0.3 1 129 39 13 LYS CA C 55.514 0.3 1 130 39 13 LYS CB C 30.198 0.3 1 131 39 13 LYS CG C 25.028 0.3 1 132 39 13 LYS CD C 29.676 0.3 1 133 39 13 LYS CE C 41.973 0.3 1 134 39 13 LYS N N 126.935 0.3 1 135 40 14 ALA H H 7.735 0.03 1 136 40 14 ALA HA H 4.515 0.03 1 137 40 14 ALA HB H 1.304 0.03 1 138 40 14 ALA C C 176.001 0.3 1 139 40 14 ALA CA C 50.984 0.3 1 140 40 14 ALA CB C 23.667 0.3 1 141 40 14 ALA N N 121.628 0.3 1 142 41 15 ASP H H 8.282 0.03 1 143 41 15 ASP HA H 4.560 0.03 1 144 41 15 ASP HB2 H 3.160 0.03 2 145 41 15 ASP HB3 H 2.846 0.03 2 146 41 15 ASP C C 175.990 0.3 1 147 41 15 ASP CA C 53.072 0.3 1 148 41 15 ASP CB C 41.657 0.3 1 149 41 15 ASP N N 117.960 0.3 1 150 42 16 ARG H H 8.263 0.03 1 151 42 16 ARG HA H 4.120 0.03 1 152 42 16 ARG HB2 H 1.919 0.03 2 153 42 16 ARG HB3 H 1.932 0.03 2 154 42 16 ARG HG2 H 1.770 0.03 2 155 42 16 ARG HG3 H 1.909 0.03 2 156 42 16 ARG HD2 H 3.198 0.03 2 157 42 16 ARG HD3 H 3.324 0.03 2 158 42 16 ARG C C 178.126 0.3 1 159 42 16 ARG CA C 61.737 0.3 1 160 42 16 ARG CB C 31.484 0.3 1 161 42 16 ARG CG C 27.301 0.3 1 162 42 16 ARG CD C 45.046 0.3 1 163 42 16 ARG N N 119.488 0.3 1 164 43 17 LYS H H 8.222 0.03 1 165 43 17 LYS HA H 3.868 0.03 1 166 43 17 LYS HB2 H 1.700 0.03 2 167 43 17 LYS HB3 H 1.860 0.03 2 168 43 17 LYS HG2 H 1.098 0.03 2 169 43 17 LYS HG3 H 1.343 0.03 2 170 43 17 LYS HD2 H 1.390 0.03 2 171 43 17 LYS HD3 H 1.520 0.03 2 172 43 17 LYS HE2 H 2.978 0.03 2 173 43 17 LYS HE3 H 2.951 0.03 2 174 43 17 LYS C C 179.361 0.3 1 175 43 17 LYS CA C 60.454 0.3 1 176 43 17 LYS CB C 31.800 0.3 1 177 43 17 LYS CG C 25.358 0.3 1 178 43 17 LYS CD C 29.197 0.3 1 179 43 17 LYS CE C 41.951 0.3 1 180 43 17 LYS N N 118.053 0.3 1 181 44 18 THR H H 8.202 0.03 1 182 44 18 THR HA H 3.961 0.03 1 183 44 18 THR HB H 4.135 0.03 1 184 44 18 THR HG2 H 1.155 0.03 1 185 44 18 THR C C 177.673 0.3 1 186 44 18 THR CA C 66.634 0.3 1 187 44 18 THR CB C 67.786 0.3 1 188 44 18 THR CG2 C 20.962 0.3 1 189 44 18 THR N N 118.008 0.3 1 190 45 19 ALA H H 8.905 0.03 1 191 45 19 ALA HA H 4.010 0.03 1 192 45 19 ALA HB H 1.600 0.03 1 193 45 19 ALA C C 177.574 0.3 1 194 45 19 ALA CA C 56.330 0.3 1 195 45 19 ALA CB C 18.274 0.3 1 196 45 19 ALA N N 126.455 0.3 1 197 46 20 PHE H H 8.711 0.03 1 198 46 20 PHE HA H 3.188 0.03 1 199 46 20 PHE HB2 H 2.370 0.03 2 200 46 20 PHE HB3 H 2.980 0.03 2 201 46 20 PHE C C 176.820 0.3 1 202 46 20 PHE CA C 61.403 0.3 1 203 46 20 PHE CB C 39.872 0.3 1 204 46 20 PHE N N 119.228 0.3 1 205 47 21 LYS H H 8.037 0.03 1 206 47 21 LYS HA H 4.196 0.03 1 207 47 21 LYS HB2 H 1.981 0.03 2 208 47 21 LYS HB3 H 2.120 0.03 2 209 47 21 LYS HG2 H 1.540 0.03 2 210 47 21 LYS HG3 H 1.362 0.03 2 211 47 21 LYS HD2 H 1.638 0.03 2 212 47 21 LYS HD3 H 1.752 0.03 2 213 47 21 LYS HE2 H 2.959 0.03 2 214 47 21 LYS HE3 H 3.161 0.03 2 215 47 21 LYS C C 179.587 0.3 1 216 47 21 LYS CA C 60.079 0.3 1 217 47 21 LYS CB C 32.793 0.3 1 218 47 21 LYS CG C 25.091 0.3 1 219 47 21 LYS CD C 29.430 0.3 1 220 47 21 LYS CE C 42.000 0.3 1 221 47 21 LYS N N 117.552 0.3 1 222 48 22 THR H H 8.557 0.03 1 223 48 22 THR HA H 4.125 0.03 1 224 48 22 THR HB H 4.394 0.03 1 225 48 22 THR HG2 H 1.313 0.03 1 226 48 22 THR C C 176.604 0.3 1 227 48 22 THR CA C 67.101 0.3 1 228 48 22 THR CB C 68.605 0.3 1 229 48 22 THR CG2 C 20.848 0.3 1 230 48 22 THR N N 114.978 0.3 1 231 49 23 PHE H H 8.768 0.03 1 232 49 23 PHE HA H 4.280 0.03 1 233 49 23 PHE HB2 H 3.301 0.03 2 234 49 23 PHE HB3 H 3.120 0.03 2 235 49 23 PHE C C 175.244 0.3 1 236 49 23 PHE CA C 62.069 0.3 1 237 49 23 PHE CB C 39.844 0.3 1 238 49 23 PHE N N 124.070 0.3 1 239 50 24 LEU H H 8.230 0.03 1 240 50 24 LEU HA H 4.625 0.03 1 241 50 24 LEU HB2 H 1.462 0.03 2 242 50 24 LEU HB3 H 1.965 0.03 2 243 50 24 LEU HG H 1.669 0.03 1 244 50 24 LEU HD1 H 1.035 0.03 2 245 50 24 LEU HD2 H 1.126 0.03 2 246 50 24 LEU C C 176.837 0.3 1 247 50 24 LEU CA C 58.885 0.3 1 248 50 24 LEU CB C 43.347 0.3 1 249 50 24 LEU CG C 27.875 0.3 1 250 50 24 LEU CD1 C 23.603 0.3 1 251 50 24 LEU CD2 C 26.336 0.3 1 252 50 24 LEU N N 113.837 0.3 1 253 51 25 GLU H H 8.618 0.03 1 254 51 25 GLU HA H 4.516 0.03 1 255 51 25 GLU HB2 H 2.531 0.03 1 256 51 25 GLU HB3 H 2.531 0.03 1 257 51 25 GLU HG2 H 2.268 0.03 2 258 51 25 GLU HG3 H 2.520 0.03 2 259 51 25 GLU C C 178.109 0.3 1 260 51 25 GLU CA C 57.706 0.3 1 261 51 25 GLU CB C 30.656 0.3 1 262 51 25 GLU CG C 38.001 0.3 1 263 51 25 GLU N N 111.648 0.3 1 264 52 26 GLY H H 7.873 0.03 1 265 52 26 GLY HA2 H 4.290 0.03 2 266 52 26 GLY HA3 H 4.560 0.03 2 267 52 26 GLY C C 173.696 0.3 1 268 52 26 GLY CA C 46.105 0.3 1 269 52 26 GLY N N 106.856 0.3 1 270 53 27 PHE H H 6.385 0.03 1 271 53 27 PHE HA H 2.960 0.03 1 272 53 27 PHE HB2 H 2.175 0.03 2 273 53 27 PHE HB3 H 2.845 0.03 2 274 53 27 PHE CA C 60.370 0.3 1 275 53 27 PHE CB C 38.503 0.3 1 276 53 27 PHE N N 122.388 0.3 1 277 54 28 PRO HA H 4.245 0.03 1 278 54 28 PRO HB2 H 1.952 0.03 2 279 54 28 PRO HB3 H 2.251 0.03 2 280 54 28 PRO HG2 H 1.553 0.03 2 281 54 28 PRO HD2 H 3.344 0.03 2 282 54 28 PRO HD3 H 3.085 0.03 2 283 54 28 PRO C C 177.632 0.3 1 284 54 28 PRO CA C 65.007 0.3 1 285 54 28 PRO CB C 30.971 0.3 1 286 54 28 PRO CG C 27.354 0.3 1 287 54 28 PRO CD C 50.494 0.3 1 288 55 29 GLU H H 7.996 0.03 1 289 55 29 GLU HA H 4.278 0.03 1 290 55 29 GLU HB2 H 2.200 0.03 2 291 55 29 GLU HB3 H 2.150 0.03 2 292 55 29 GLU HG2 H 2.285 0.03 2 293 55 29 GLU HG3 H 2.257 0.03 2 294 55 29 GLU C C 176.837 0.3 1 295 55 29 GLU CA C 56.805 0.3 1 296 55 29 GLU CB C 30.971 0.3 1 297 55 29 GLU CG C 36.580 0.3 1 298 55 29 GLU N N 111.620 0.3 1 299 56 30 TRP H H 6.915 0.03 1 300 56 30 TRP HA H 4.936 0.03 1 301 56 30 TRP HB2 H 2.712 0.03 2 302 56 30 TRP HB3 H 3.579 0.03 2 303 56 30 TRP HE1 H 10.247 0.03 1 304 56 30 TRP C C 175.931 0.3 1 305 56 30 TRP CA C 55.750 0.3 1 306 56 30 TRP CB C 31.803 0.3 1 307 56 30 TRP N N 112.422 0.3 1 308 56 30 TRP NE1 N 129.510 0.3 1 309 57 31 TRP H H 7.465 0.03 1 310 57 31 TRP HA H 3.974 0.03 1 311 57 31 TRP HB2 H 2.088 0.03 2 312 57 31 TRP HB3 H 2.144 0.03 2 313 57 31 TRP HE1 H 10.438 0.03 1 314 57 31 TRP CA C 57.243 0.3 1 315 57 31 TRP CB C 28.355 0.3 1 316 57 31 TRP N N 128.441 0.3 1 317 57 31 TRP NE1 N 129.138 0.3 1 318 58 32 PRO HA H 4.090 0.03 1 319 58 32 PRO HB2 H 1.271 0.03 2 320 58 32 PRO HB3 H 1.943 0.03 2 321 58 32 PRO HG2 H 0.873 0.03 2 322 58 32 PRO HG3 H 1.530 0.03 2 323 58 32 PRO HD3 H 3.310 0.03 2 324 58 32 PRO C C 178.819 0.3 1 325 58 32 PRO CA C 61.174 0.3 1 326 58 32 PRO CG C 27.572 0.3 1 327 58 32 PRO CD C 49.481 0.3 1 328 59 33 ASN H H 8.777 0.03 1 329 59 33 ASN HA H 4.251 0.03 1 330 59 33 ASN HB2 H 2.786 0.03 2 331 59 33 ASN HB3 H 2.595 0.03 2 332 59 33 ASN HD21 H 8.272 0.03 2 333 59 33 ASN HD22 H 7.148 0.03 2 334 59 33 ASN C C 174.569 0.3 1 335 59 33 ASN CA C 56.769 0.3 1 336 59 33 ASN CB C 39.452 0.3 1 337 59 33 ASN N N 123.937 0.3 1 338 59 33 ASN ND2 N 112.939 0.3 1 339 60 34 ASN H H 8.405 0.03 1 340 60 34 ASN HA H 4.609 0.03 1 341 60 34 ASN HB2 H 2.736 0.03 2 342 60 34 ASN HB3 H 2.911 0.03 2 343 60 34 ASN HD21 H 7.526 0.03 2 344 60 34 ASN HD22 H 6.623 0.03 2 345 60 34 ASN C C 174.862 0.3 1 346 60 34 ASN CA C 53.097 0.3 1 347 60 34 ASN CB C 37.006 0.3 1 348 60 34 ASN N N 110.142 0.3 1 349 60 34 ASN ND2 N 112.010 0.3 1 350 61 35 PHE H H 7.507 0.03 1 351 61 35 PHE HA H 4.850 0.03 1 352 61 35 PHE HB2 H 2.811 0.03 2 353 61 35 PHE HB3 H 3.300 0.03 2 354 61 35 PHE C C 175.118 0.3 1 355 61 35 PHE CA C 55.612 0.3 1 356 61 35 PHE CB C 36.741 0.3 1 357 61 35 PHE N N 123.622 0.3 1 358 62 36 ARG H H 7.458 0.03 1 359 62 36 ARG HA H 4.520 0.03 1 360 62 36 ARG HB2 H 1.271 0.03 2 361 62 36 ARG HB3 H 2.251 0.03 2 362 62 36 ARG HG2 H 1.993 0.03 2 363 62 36 ARG HG3 H 1.752 0.03 2 364 62 36 ARG HD2 H 2.909 0.03 2 365 62 36 ARG HD3 H 3.610 0.03 2 366 62 36 ARG C C 175.902 0.3 1 367 62 36 ARG CA C 52.864 0.3 1 368 62 36 ARG CB C 36.026 0.3 1 369 62 36 ARG CG C 27.149 0.3 1 370 62 36 ARG CD C 42.400 0.3 1 371 62 36 ARG N N 123.091 0.3 1 372 63 37 THR H H 11.224 0.03 1 373 63 37 THR HA H 4.471 0.03 1 374 63 37 THR HB H 3.988 0.03 1 375 63 37 THR HG2 H 0.911 0.03 1 376 63 37 THR C C 175.588 0.3 1 377 63 37 THR CA C 63.131 0.3 1 378 63 37 THR CB C 70.405 0.3 1 379 63 37 THR CG2 C 21.779 0.3 1 380 63 37 THR N N 116.923 0.3 1 381 64 38 THR H H 9.397 0.03 1 382 64 38 THR HA H 4.400 0.03 1 383 64 38 THR HB H 4.050 0.03 1 384 64 38 THR HG2 H 0.668 0.03 1 385 64 38 THR C C 174.468 0.3 1 386 64 38 THR CA C 61.285 0.3 1 387 64 38 THR CB C 68.882 0.3 1 388 64 38 THR CG2 C 21.036 0.3 1 389 64 38 THR N N 117.707 0.3 1 390 65 39 LYS H H 8.018 0.03 1 391 65 39 LYS HA H 4.490 0.03 1 392 65 39 LYS HB2 H 1.789 0.03 2 393 65 39 LYS HB3 H 1.782 0.03 2 394 65 39 LYS HG2 H 1.350 0.03 2 395 65 39 LYS HG3 H 1.493 0.03 2 396 65 39 LYS HD2 H 1.677 0.03 2 397 65 39 LYS HD3 H 2.259 0.03 2 398 65 39 LYS HE2 H 2.927 0.03 2 399 65 39 LYS HE3 H 2.946 0.03 2 400 65 39 LYS C C 174.811 0.3 1 401 65 39 LYS CA C 55.115 0.3 1 402 65 39 LYS CB C 35.861 0.3 1 403 65 39 LYS CG C 24.309 0.3 1 404 65 39 LYS CD C 29.389 0.3 1 405 65 39 LYS CE C 42.120 0.3 1 406 65 39 LYS N N 122.223 0.3 1 407 66 40 VAL H H 8.186 0.03 1 408 66 40 VAL HA H 3.524 0.03 1 409 66 40 VAL HB H 1.950 0.03 1 410 66 40 VAL HG1 H 0.878 0.03 2 411 66 40 VAL HG2 H 1.028 0.03 2 412 66 40 VAL C C 177.234 0.3 1 413 66 40 VAL CA C 65.026 0.3 1 414 66 40 VAL CB C 31.815 0.3 1 415 66 40 VAL CG1 C 21.074 0.3 1 416 66 40 VAL CG2 C 21.754 0.3 1 417 66 40 VAL N N 121.023 0.3 1 418 67 41 GLY H H 8.217 0.03 1 419 67 41 GLY HA2 H 3.693 0.03 2 420 67 41 GLY HA3 H 4.132 0.03 2 421 67 41 GLY C C 174.408 0.3 1 422 67 41 GLY CA C 45.468 0.3 1 423 67 41 GLY N N 112.834 0.3 1 424 68 42 ALA H H 7.692 0.03 1 425 68 42 ALA HA H 4.480 0.03 1 426 68 42 ALA HB H 1.580 0.03 1 427 68 42 ALA CA C 51.702 0.3 1 428 68 42 ALA CB C 18.626 0.3 1 429 68 42 ALA N N 124.864 0.3 1 430 69 43 PRO HA H 4.270 0.03 1 431 69 43 PRO HB2 H 1.905 0.03 2 432 69 43 PRO HB3 H 2.392 0.03 2 433 69 43 PRO HD2 H 3.682 0.03 2 434 69 43 PRO HD3 H 3.774 0.03 2 435 69 43 PRO C C 174.599 0.3 1 436 69 43 PRO CA C 63.505 0.3 1 437 69 43 PRO CB C 32.522 0.3 1 438 69 43 PRO CG C 27.542 0.3 1 439 69 43 PRO CD C 50.601 0.3 1 440 70 44 LEU H H 7.669 0.03 1 441 70 44 LEU HA H 5.249 0.03 1 442 70 44 LEU HB2 H 1.080 0.03 2 443 70 44 LEU HB3 H 1.050 0.03 2 444 70 44 LEU HD1 H 0.815 0.03 2 445 70 44 LEU C C 176.848 0.3 1 446 70 44 LEU CA C 52.214 0.3 1 447 70 44 LEU CB C 45.659 0.3 1 448 70 44 LEU CG C 26.460 0.3 1 449 70 44 LEU CD1 C 23.578 0.3 1 450 70 44 LEU N N 118.867 0.3 1 451 71 45 GLY H H 8.293 0.03 1 452 71 45 GLY HA2 H 4.060 0.03 2 453 71 45 GLY HA3 H 2.811 0.03 2 454 71 45 GLY C C 169.852 0.3 1 455 71 45 GLY CA C 44.226 0.3 1 456 71 45 GLY N N 105.693 0.3 1 457 72 46 VAL H H 8.185 0.03 1 458 72 46 VAL HA H 5.002 0.03 1 459 72 46 VAL HB H 2.180 0.03 1 460 72 46 VAL HG1 H 1.139 0.03 2 461 72 46 VAL HG2 H 1.246 0.03 2 462 72 46 VAL C C 174.452 0.3 1 463 72 46 VAL CA C 59.693 0.3 1 464 72 46 VAL CB C 35.185 0.3 1 465 72 46 VAL CG1 C 19.374 0.3 1 466 72 46 VAL CG2 C 21.639 0.3 1 467 72 46 VAL N N 115.894 0.3 1 468 73 47 ASP H H 9.246 0.03 1 469 73 47 ASP HA H 5.200 0.03 1 470 73 47 ASP HB2 H 2.817 0.03 2 471 73 47 ASP HB3 H 3.090 0.03 2 472 73 47 ASP CA C 51.167 0.3 1 473 73 47 ASP CB C 42.064 0.3 1 474 73 47 ASP N N 127.113 0.3 1 475 74 48 LYS H H 9.301 0.03 1 476 74 48 LYS HA H 4.174 0.03 1 477 74 48 LYS HB2 H 2.105 0.03 2 478 74 48 LYS HB3 H 1.926 0.03 2 479 74 48 LYS HG2 H 1.636 0.03 2 480 74 48 LYS HG3 H 1.534 0.03 2 481 74 48 LYS HD2 H 1.697 0.03 2 482 74 48 LYS HD3 H 2.143 0.03 2 483 74 48 LYS HE2 H 2.676 0.03 2 484 74 48 LYS HE3 H 3.009 0.03 2 485 74 48 LYS C C 178.280 0.3 1 486 74 48 LYS CA C 59.847 0.3 1 487 74 48 LYS CB C 32.630 0.3 1 488 74 48 LYS CG C 25.070 0.3 1 489 74 48 LYS CD C 29.425 0.3 1 490 74 48 LYS CE C 41.915 0.3 1 491 74 48 LYS N N 124.247 0.3 1 492 75 49 LYS H H 8.307 0.03 1 493 75 49 LYS HA H 4.175 0.03 1 494 75 49 LYS HB2 H 1.731 0.03 2 495 75 49 LYS HB3 H 1.936 0.03 2 496 75 49 LYS HG2 H 1.453 0.03 2 497 75 49 LYS HG3 H 1.514 0.03 2 498 75 49 LYS HD2 H 1.731 0.03 2 499 75 49 LYS HE2 H 3.030 0.03 2 500 75 49 LYS C C 178.745 0.3 1 501 75 49 LYS CA C 59.257 0.3 1 502 75 49 LYS CB C 32.394 0.3 1 503 75 49 LYS CG C 24.939 0.3 1 504 75 49 LYS CD C 28.994 0.3 1 505 75 49 LYS CE C 41.953 0.3 1 506 75 49 LYS N N 120.582 0.3 1 507 76 50 GLY H H 8.700 0.03 1 508 76 50 GLY HA2 H 3.720 0.03 2 509 76 50 GLY HA3 H 4.140 0.03 2 510 76 50 GLY C C 174.393 0.3 1 511 76 50 GLY CA C 45.567 0.3 1 512 76 50 GLY N N 106.621 0.3 1 513 77 51 GLY H H 7.538 0.03 1 514 77 51 GLY HA2 H 3.990 0.03 2 515 77 51 GLY HA3 H 3.811 0.03 2 516 77 51 GLY C C 175.000 0.3 1 517 77 51 GLY CA C 48.090 0.3 1 518 77 51 GLY N N 110.159 0.3 1 519 78 52 ARG H H 8.649 0.03 1 520 78 52 ARG HA H 5.340 0.03 1 521 78 52 ARG HB2 H 1.950 0.03 2 522 78 52 ARG HB3 H 1.807 0.03 2 523 78 52 ARG HG2 H 1.752 0.03 2 524 78 52 ARG HG3 H 1.993 0.03 2 525 78 52 ARG HD2 H 3.248 0.03 2 526 78 52 ARG C C 174.958 0.3 1 527 78 52 ARG CA C 55.207 0.3 1 528 78 52 ARG CB C 35.690 0.3 1 529 78 52 ARG CG C 27.000 0.3 1 530 78 52 ARG CD C 42.300 0.3 1 531 78 52 ARG N N 118.259 0.3 1 532 79 53 TRP H H 8.887 0.03 1 533 79 53 TRP HA H 5.118 0.03 1 534 79 53 TRP HB2 H 2.361 0.03 2 535 79 53 TRP HE1 H 10.245 0.03 1 536 79 53 TRP C C 175.212 0.3 1 537 79 53 TRP CA C 54.338 0.3 1 538 79 53 TRP CB C 31.286 0.3 1 539 79 53 TRP N N 123.864 0.3 1 540 79 53 TRP NE1 N 129.421 0.3 1 541 80 54 TYR H H 8.367 0.03 1 542 80 54 TYR HA H 5.597 0.03 1 543 80 54 TYR HB2 H 2.663 0.03 2 544 80 54 TYR HB3 H 2.662 0.03 2 545 80 54 TYR C C 171.285 0.3 1 546 80 54 TYR CA C 55.194 0.3 1 547 80 54 TYR CB C 42.764 0.3 1 548 80 54 TYR N N 118.458 0.3 1 549 81 55 GLU H H 8.840 0.03 1 550 81 55 GLU HA H 5.320 0.03 1 551 81 55 GLU HB2 H 1.976 0.03 2 552 81 55 GLU HB3 H 2.256 0.03 2 553 81 55 GLU HG2 H 2.070 0.03 2 554 81 55 GLU HG3 H 2.200 0.03 2 555 81 55 GLU C C 174.866 0.3 1 556 81 55 GLU CA C 53.795 0.3 1 557 81 55 GLU CB C 35.205 0.3 1 558 81 55 GLU CG C 36.400 0.3 1 559 81 55 GLU N N 120.735 0.3 1 560 82 56 ILE H H 8.808 0.03 1 561 82 56 ILE HA H 4.928 0.03 1 562 82 56 ILE HB H 1.715 0.03 1 563 82 56 ILE HG12 H 1.530 0.03 1 564 82 56 ILE HG13 H 1.030 0.03 1 565 82 56 ILE HG2 H 1.060 0.03 1 566 82 56 ILE HD1 H 0.909 0.03 1 567 82 56 ILE C C 175.917 0.3 1 568 82 56 ILE CA C 61.097 0.3 1 569 82 56 ILE CB C 40.083 0.3 1 570 82 56 ILE CG1 C 28.884 0.3 1 571 82 56 ILE CG2 C 18.491 0.3 1 572 82 56 ILE CD1 C 14.785 0.3 1 573 82 56 ILE N N 126.445 0.3 1 574 83 57 ASP H H 8.690 0.03 1 575 83 57 ASP HA H 5.025 0.03 1 576 83 57 ASP HB2 H 2.615 0.03 2 577 83 57 ASP HB3 H 3.528 0.03 2 578 83 57 ASP C C 178.860 0.3 1 579 83 57 ASP CA C 52.629 0.3 1 580 83 57 ASP CB C 42.374 0.3 1 581 83 57 ASP N N 124.406 0.3 1 582 84 58 GLU H H 8.375 0.03 1 583 84 58 GLU HA H 4.104 0.03 1 584 84 58 GLU HB2 H 2.134 0.03 2 585 84 58 GLU HB3 H 2.060 0.03 2 586 84 58 GLU HG2 H 2.400 0.03 2 587 84 58 GLU HG3 H 2.340 0.03 2 588 84 58 GLU C C 177.661 0.3 1 589 84 58 GLU CA C 59.064 0.3 1 590 84 58 GLU CB C 29.681 0.3 1 591 84 58 GLU CG C 37.080 0.3 1 592 84 58 GLU N N 116.514 0.3 1 593 85 59 GLN H H 8.348 0.03 1 594 85 59 GLN HA H 4.508 0.03 1 595 85 59 GLN HB2 H 2.380 0.03 2 596 85 59 GLN HB3 H 2.227 0.03 2 597 85 59 GLN HG2 H 2.370 0.03 2 598 85 59 GLN HG3 H 2.410 0.03 2 599 85 59 GLN HE21 H 6.796 0.03 2 600 85 59 GLN HE22 H 7.581 0.03 2 601 85 59 GLN C C 176.387 0.3 1 602 85 59 GLN CA C 55.718 0.3 1 603 85 59 GLN CB C 29.155 0.3 1 604 85 59 GLN CG C 34.800 0.3 1 605 85 59 GLN N N 117.492 0.3 1 606 85 59 GLN NE2 N 111.911 0.3 1 607 86 60 GLY H H 8.230 0.03 1 608 86 60 GLY HA2 H 3.517 0.03 2 609 86 60 GLY HA3 H 4.224 0.03 2 610 86 60 GLY C C 175.687 0.3 1 611 86 60 GLY CA C 45.380 0.3 1 612 86 60 GLY N N 108.913 0.3 1 613 87 61 GLU H H 8.368 0.03 1 614 87 61 GLU HA H 4.212 0.03 1 615 87 61 GLU HB2 H 1.926 0.03 1 616 87 61 GLU HB3 H 1.926 0.03 1 617 87 61 GLU HG2 H 1.960 0.03 2 618 87 61 GLU HG3 H 2.168 0.03 2 619 87 61 GLU C C 175.387 0.3 1 620 87 61 GLU CA C 55.989 0.3 1 621 87 61 GLU CB C 29.724 0.3 1 622 87 61 GLU CG C 36.070 0.3 1 623 87 61 GLU N N 123.249 0.3 1 624 88 62 GLU H H 8.303 0.03 1 625 88 62 GLU HA H 4.780 0.03 1 626 88 62 GLU HB2 H 1.640 0.03 2 627 88 62 GLU HB3 H 1.114 0.03 2 628 88 62 GLU HG2 H 2.179 0.03 2 629 88 62 GLU HG3 H 1.825 0.03 2 630 88 62 GLU C C 177.088 0.3 1 631 88 62 GLU CA C 55.027 0.3 1 632 88 62 GLU CB C 30.638 0.3 1 633 88 62 GLU CG C 35.663 0.3 1 634 88 62 GLU N N 120.958 0.3 1 635 89 63 HIS H H 9.881 0.03 1 636 89 63 HIS HA H 4.629 0.03 1 637 89 63 HIS HB2 H 2.860 0.03 2 638 89 63 HIS HB3 H 3.040 0.03 2 639 89 63 HIS C C 176.001 0.3 1 640 89 63 HIS CA C 55.034 0.3 1 641 89 63 HIS CB C 31.283 0.3 1 642 89 63 HIS N N 125.402 0.3 1 643 90 64 THR HA H 4.461 0.03 1 644 90 64 THR HB H 3.984 0.03 1 645 90 64 THR HG2 H 0.914 0.03 1 646 90 64 THR CA C 63.226 0.3 1 647 90 64 THR CB C 70.484 0.3 1 648 90 64 THR CG2 C 21.700 0.3 1 649 91 65 PHE H H 8.839 0.03 1 650 91 65 PHE HA H 5.282 0.03 1 651 91 65 PHE HB2 H 2.691 0.03 2 652 91 65 PHE HB3 H 3.080 0.03 2 653 91 65 PHE C C 172.508 0.3 1 654 91 65 PHE CA C 55.712 0.3 1 655 91 65 PHE CB C 40.203 0.3 1 656 91 65 PHE N N 120.264 0.3 1 657 92 66 GLY H H 7.628 0.03 1 658 92 66 GLY HA2 H 3.122 0.03 2 659 92 66 GLY HA3 H 5.490 0.03 2 660 92 66 GLY C C 170.683 0.3 1 661 92 66 GLY CA C 44.070 0.3 1 662 92 66 GLY N N 108.848 0.3 1 663 93 67 LEU H H 9.079 0.03 1 664 93 67 LEU HA H 4.906 0.03 1 665 93 67 LEU HB2 H 1.463 0.03 1 666 93 67 LEU HB3 H 1.463 0.03 1 667 93 67 LEU HG H 1.278 0.03 1 668 93 67 LEU HD1 H 0.830 0.03 2 669 93 67 LEU HD2 H 0.830 0.03 2 670 93 67 LEU C C 175.184 0.3 1 671 93 67 LEU CA C 52.152 0.3 1 672 93 67 LEU CB C 43.146 0.3 1 673 93 67 LEU CG C 26.800 0.3 1 674 93 67 LEU CD1 C 25.200 0.3 1 675 93 67 LEU CD2 C 23.400 0.3 1 676 93 67 LEU N N 124.820 0.3 1 677 94 68 ILE H H 8.433 0.03 1 678 94 68 ILE HA H 3.629 0.03 1 679 94 68 ILE HB H 1.470 0.03 1 680 94 68 ILE HG12 H 0.875 0.03 1 681 94 68 ILE HG13 H 0.340 0.03 1 682 94 68 ILE HG2 H 0.600 0.03 1 683 94 68 ILE HD1 H 0.300 0.03 1 684 94 68 ILE C C 175.500 0.3 1 685 94 68 ILE CA C 62.364 0.3 1 686 94 68 ILE CB C 36.323 0.3 1 687 94 68 ILE CG1 C 26.912 0.3 1 688 94 68 ILE CG2 C 18.743 0.3 1 689 94 68 ILE CD1 C 12.200 0.3 1 690 94 68 ILE N N 125.324 0.3 1 691 95 69 ARG H H 8.727 0.03 1 692 95 69 ARG HA H 4.258 0.03 1 693 95 69 ARG HB2 H 1.339 0.03 2 694 95 69 ARG HB3 H 1.590 0.03 2 695 95 69 ARG HG2 H 1.784 0.03 2 696 95 69 ARG HD2 H 2.974 0.03 2 697 95 69 ARG HD3 H 2.940 0.03 2 698 95 69 ARG C C 176.325 0.3 1 699 95 69 ARG CA C 57.481 0.3 1 700 95 69 ARG CB C 31.600 0.3 1 701 95 69 ARG CG C 27.672 0.3 1 702 95 69 ARG CD C 43.466 0.3 1 703 95 69 ARG N N 130.079 0.3 1 704 96 70 LYS H H 7.565 0.03 1 705 96 70 LYS HA H 4.455 0.03 1 706 96 70 LYS HB2 H 1.703 0.03 2 707 96 70 LYS HB3 H 1.549 0.03 2 708 96 70 LYS HG2 H 1.150 0.03 2 709 96 70 LYS HG3 H 1.364 0.03 2 710 96 70 LYS HE2 H 2.706 0.03 2 711 96 70 LYS HE3 H 2.885 0.03 2 712 96 70 LYS C C 173.824 0.3 1 713 96 70 LYS CA C 56.687 0.3 1 714 96 70 LYS CB C 35.897 0.3 1 715 96 70 LYS CG C 25.160 0.3 1 716 96 70 LYS CD C 29.251 0.3 1 717 96 70 LYS CE C 42.200 0.3 1 718 96 70 LYS N N 118.509 0.3 1 719 97 71 VAL H H 8.711 0.03 1 720 97 71 VAL HA H 4.376 0.03 1 721 97 71 VAL HB H 2.186 0.03 1 722 97 71 VAL HG1 H 0.891 0.03 2 723 97 71 VAL HG2 H 1.164 0.03 2 724 97 71 VAL C C 174.117 0.3 1 725 97 71 VAL CA C 62.108 0.3 1 726 97 71 VAL CB C 34.281 0.3 1 727 97 71 VAL CG1 C 21.400 0.3 1 728 97 71 VAL CG2 C 21.837 0.3 1 729 97 71 VAL N N 126.082 0.3 1 730 98 72 ASP H H 8.771 0.03 1 731 98 72 ASP HA H 5.113 0.03 1 732 98 72 ASP HB2 H 2.414 0.03 2 733 98 72 ASP HB3 H 2.950 0.03 2 734 98 72 ASP C C 174.817 0.3 1 735 98 72 ASP CA C 52.138 0.3 1 736 98 72 ASP CB C 40.931 0.3 1 737 98 72 ASP N N 129.469 0.3 1 738 99 73 GLU H H 8.549 0.03 1 739 99 73 GLU HA H 2.973 0.03 1 740 99 73 GLU HB2 H 1.475 0.03 2 741 99 73 GLU HB3 H 1.665 0.03 2 742 99 73 GLU HG2 H 1.470 0.03 1 743 99 73 GLU HG3 H 1.470 0.03 1 744 99 73 GLU CA C 54.395 0.3 1 745 99 73 GLU CB C 30.631 0.3 1 746 99 73 GLU CG C 35.183 0.3 1 747 99 73 GLU N N 125.499 0.3 1 748 100 74 PRO HB2 H 2.057 0.03 2 749 100 74 PRO HB3 H 2.138 0.03 2 750 100 74 PRO HG2 H 1.416 0.03 2 751 100 74 PRO HG3 H 1.300 0.03 2 752 100 74 PRO HD2 H 3.040 0.03 2 753 100 74 PRO HD3 H 3.460 0.03 2 754 100 74 PRO CA C 64.374 0.3 1 755 100 74 PRO CB C 30.032 0.3 1 756 100 74 PRO CG C 23.400 0.3 1 757 100 74 PRO CD C 47.299 0.3 1 758 101 75 ASP H H 8.413 0.03 1 759 101 75 ASP HA H 5.000 0.03 1 760 101 75 ASP HB2 H 2.580 0.03 2 761 101 75 ASP HB3 H 2.866 0.03 2 762 101 75 ASP C C 176.676 0.3 1 763 101 75 ASP CA C 58.134 0.3 1 764 101 75 ASP CB C 45.572 0.3 1 765 101 75 ASP N N 119.103 0.3 1 766 102 76 THR H H 8.272 0.03 1 767 102 76 THR HA H 5.895 0.03 1 768 102 76 THR HB H 3.982 0.03 1 769 102 76 THR HG2 H 1.203 0.03 1 770 102 76 THR C C 172.853 0.3 1 771 102 76 THR CA C 61.947 0.3 1 772 102 76 THR CB C 73.986 0.3 1 773 102 76 THR CG2 C 22.627 0.3 1 774 102 76 THR N N 110.976 0.3 1 775 103 77 LEU H H 9.086 0.03 1 776 103 77 LEU HA H 5.156 0.03 1 777 103 77 LEU HB2 H 1.550 0.03 2 778 103 77 LEU HB3 H 1.580 0.03 2 779 103 77 LEU HG H 0.902 0.03 1 780 103 77 LEU HD1 H 0.865 0.03 2 781 103 77 LEU HD2 H 1.570 0.03 2 782 103 77 LEU C C 174.670 0.3 1 783 103 77 LEU CA C 53.719 0.3 1 784 103 77 LEU CB C 47.385 0.3 1 785 103 77 LEU CG C 27.656 0.3 1 786 103 77 LEU CD1 C 26.160 0.3 1 787 103 77 LEU CD2 C 27.000 0.3 1 788 103 77 LEU N N 125.818 0.3 1 789 104 78 VAL H H 8.536 0.03 1 790 104 78 VAL HA H 4.883 0.03 1 791 104 78 VAL HB H 1.731 0.03 1 792 104 78 VAL HG1 H 0.713 0.03 2 793 104 78 VAL HG2 H 0.940 0.03 2 794 104 78 VAL C C 175.127 0.3 1 795 104 78 VAL CA C 61.746 0.3 1 796 104 78 VAL CB C 33.869 0.3 1 797 104 78 VAL CG1 C 20.966 0.3 1 798 104 78 VAL CG2 C 20.966 0.3 1 799 104 78 VAL N N 122.966 0.3 1 800 105 79 ILE H H 8.715 0.03 1 801 105 79 ILE HA H 4.496 0.03 1 802 105 79 ILE HB H -0.003 0.03 1 803 105 79 ILE HG12 H 0.353 0.03 1 804 105 79 ILE HG13 H 0.848 0.03 1 805 105 79 ILE HG2 H -0.120 0.03 1 806 105 79 ILE HD1 H 0.177 0.03 1 807 105 79 ILE C C 174.889 0.3 1 808 105 79 ILE CA C 58.828 0.3 1 809 105 79 ILE CB C 39.790 0.3 1 810 105 79 ILE CG1 C 27.413 0.3 1 811 105 79 ILE CG2 C 11.540 0.3 1 812 105 79 ILE CD1 C 16.350 0.3 1 813 105 79 ILE N N 128.070 0.3 1 814 106 80 GLY H H 9.941 0.03 1 815 106 80 GLY HA2 H 3.365 0.03 2 816 106 80 GLY HA3 H 4.876 0.03 2 817 106 80 GLY C C 172.006 0.3 1 818 106 80 GLY CA C 44.472 0.3 1 819 106 80 GLY N N 112.510 0.3 1 820 107 81 TRP H H 8.963 0.03 1 821 107 81 TRP HA H 5.685 0.03 1 822 107 81 TRP HB2 H 4.106 0.03 2 823 107 81 TRP HB3 H 3.130 0.03 2 824 107 81 TRP HE1 H 8.988 0.03 1 825 107 81 TRP C C 176.373 0.3 1 826 107 81 TRP CA C 55.967 0.3 1 827 107 81 TRP CB C 33.022 0.3 1 828 107 81 TRP N N 129.022 0.3 1 829 108 82 ARG H H 8.162 0.03 1 830 108 82 ARG HA H 4.624 0.03 1 831 108 82 ARG HB2 H 1.344 0.03 2 832 108 82 ARG HB3 H 2.775 0.03 2 833 108 82 ARG HG2 H 1.656 0.03 2 834 108 82 ARG HG3 H 1.733 0.03 2 835 108 82 ARG HD2 H 3.012 0.03 2 836 108 82 ARG C C 174.378 0.3 1 837 108 82 ARG CA C 57.215 0.3 1 838 108 82 ARG CB C 33.000 0.3 1 839 108 82 ARG CG C 26.671 0.3 1 840 108 82 ARG CD C 43.369 0.3 1 841 108 82 ARG N N 123.548 0.3 1 842 109 83 LEU H H 5.747 0.03 1 843 109 83 LEU HA H 4.450 0.03 1 844 109 83 LEU HB2 H 1.528 0.03 2 845 109 83 LEU HB3 H 1.256 0.03 2 846 109 83 LEU HG H 0.768 0.03 1 847 109 83 LEU HD1 H 0.411 0.03 2 848 109 83 LEU HD2 H 0.280 0.03 2 849 109 83 LEU C C 176.527 0.3 1 850 109 83 LEU CA C 55.030 0.3 1 851 109 83 LEU CB C 42.239 0.3 1 852 109 83 LEU CG C 27.260 0.3 1 853 109 83 LEU CD1 C 25.400 0.3 1 854 109 83 LEU CD2 C 24.220 0.3 1 855 109 83 LEU N N 114.860 0.3 1 856 110 84 ASN H H 8.936 0.03 1 857 110 84 ASN HA H 4.496 0.03 1 858 110 84 ASN HB2 H 2.500 0.03 2 859 110 84 ASN HB3 H 2.612 0.03 2 860 110 84 ASN HD21 H 6.901 0.03 2 861 110 84 ASN HD22 H 7.569 0.03 2 862 110 84 ASN CA C 50.480 0.3 1 863 110 84 ASN CB C 38.079 0.3 1 864 110 84 ASN N N 119.829 0.3 1 865 110 84 ASN ND2 N 112.810 0.3 1 866 111 85 GLY HA2 H 3.589 0.03 2 867 111 85 GLY HA3 H 3.745 0.03 2 868 111 85 GLY C C 173.603 0.3 1 869 111 85 GLY CA C 46.549 0.3 1 870 112 86 PHE H H 7.919 0.03 1 871 112 86 PHE HA H 4.937 0.03 1 872 112 86 PHE HB2 H 2.800 0.03 2 873 112 86 PHE HB3 H 3.570 0.03 2 874 112 86 PHE C C 175.957 0.3 1 875 112 86 PHE CA C 55.990 0.3 1 876 112 86 PHE CB C 39.327 0.3 1 877 112 86 PHE N N 117.464 0.3 1 878 113 87 GLY H H 7.980 0.03 1 879 113 87 GLY HA2 H 3.530 0.03 2 880 113 87 GLY HA3 H 4.011 0.03 2 881 113 87 GLY C C 173.357 0.3 1 882 113 87 GLY CA C 46.185 0.3 1 883 113 87 GLY N N 107.432 0.3 1 884 114 88 ARG H H 7.299 0.03 1 885 114 88 ARG HA H 4.552 0.03 1 886 114 88 ARG HB2 H 1.665 0.03 2 887 114 88 ARG HB3 H 1.885 0.03 2 888 114 88 ARG HG2 H 1.538 0.03 2 889 114 88 ARG HG3 H 1.574 0.03 2 890 114 88 ARG HD2 H 3.153 0.03 2 891 114 88 ARG HD3 H 3.185 0.03 2 892 114 88 ARG C C 175.154 0.3 1 893 114 88 ARG CA C 53.043 0.3 1 894 114 88 ARG CB C 32.343 0.3 1 895 114 88 ARG CG C 27.155 0.3 1 896 114 88 ARG CD C 42.896 0.3 1 897 114 88 ARG N N 116.666 0.3 1 898 115 89 ILE H H 8.693 0.03 1 899 115 89 ILE HA H 3.597 0.03 1 900 115 89 ILE HB H 1.711 0.03 1 901 115 89 ILE HG12 H 0.648 0.03 1 902 115 89 ILE HG13 H 1.662 0.03 1 903 115 89 ILE HG2 H 0.930 0.03 1 904 115 89 ILE HD1 H 0.750 0.03 1 905 115 89 ILE C C 175.865 0.3 1 906 115 89 ILE CA C 62.918 0.3 1 907 115 89 ILE CB C 38.659 0.3 1 908 115 89 ILE CG1 C 30.280 0.3 1 909 115 89 ILE CG2 C 14.400 0.3 1 910 115 89 ILE CD1 C 17.100 0.3 1 911 115 89 ILE N N 121.077 0.3 1 912 116 90 ASP H H 9.010 0.03 1 913 116 90 ASP HA H 4.893 0.03 1 914 116 90 ASP HB2 H 2.226 0.03 2 915 116 90 ASP HB3 H 3.322 0.03 2 916 116 90 ASP CA C 51.599 0.3 1 917 116 90 ASP CB C 44.629 0.3 1 918 116 90 ASP N N 133.887 0.3 1 919 117 91 PRO HA H 4.631 0.03 1 920 117 91 PRO HB2 H 1.991 0.03 2 921 117 91 PRO HB3 H 1.978 0.03 2 922 117 91 PRO HG2 H 2.266 0.03 2 923 117 91 PRO HD2 H 4.231 0.03 2 924 117 91 PRO HD3 H 3.823 0.03 2 925 117 91 PRO C C 176.812 0.3 1 926 117 91 PRO CA C 64.451 0.3 1 927 117 91 PRO CB C 32.423 0.3 1 928 117 91 PRO CG C 27.054 0.3 1 929 117 91 PRO CD C 50.576 0.3 1 930 118 92 ASP H H 8.335 0.03 1 931 118 92 ASP HA H 4.900 0.03 1 932 118 92 ASP HB2 H 2.478 0.03 2 933 118 92 ASP HB3 H 2.665 0.03 2 934 118 92 ASP C C 175.855 0.3 1 935 118 92 ASP CA C 55.952 0.3 1 936 118 92 ASP CB C 45.167 0.3 1 937 118 92 ASP N N 114.886 0.3 1 938 119 93 ASN H H 8.302 0.03 1 939 119 93 ASN HA H 5.140 0.03 1 940 119 93 ASN HB2 H 2.555 0.03 2 941 119 93 ASN HB3 H 2.819 0.03 2 942 119 93 ASN HD21 H 7.586 0.03 2 943 119 93 ASN HD22 H 6.896 0.03 2 944 119 93 ASN C C 173.857 0.3 1 945 119 93 ASN CA C 53.004 0.3 1 946 119 93 ASN CB C 43.207 0.3 1 947 119 93 ASN N N 119.425 0.3 1 948 119 93 ASN ND2 N 112.296 0.3 1 949 120 94 SER H H 8.014 0.03 1 950 120 94 SER HA H 5.147 0.03 1 951 120 94 SER HB2 H 3.821 0.03 2 952 120 94 SER HB3 H 3.754 0.03 2 953 120 94 SER C C 174.941 0.3 1 954 120 94 SER CA C 58.171 0.3 1 955 120 94 SER CB C 65.356 0.3 1 956 120 94 SER N N 110.754 0.3 1 957 121 95 SER H H 8.837 0.03 1 958 121 95 SER HA H 4.990 0.03 1 959 121 95 SER HB2 H 4.293 0.03 2 960 121 95 SER HB3 H 3.873 0.03 2 961 121 95 SER C C 174.454 0.3 1 962 121 95 SER CA C 57.862 0.3 1 963 121 95 SER CB C 65.481 0.3 1 964 121 95 SER N N 116.630 0.3 1 965 122 96 GLU H H 8.549 0.03 1 966 122 96 GLU HA H 5.431 0.03 1 967 122 96 GLU HB2 H 1.908 0.03 2 968 122 96 GLU HB3 H 1.889 0.03 2 969 122 96 GLU HG2 H 1.908 0.03 2 970 122 96 GLU C C 173.332 0.3 1 971 122 96 GLU CA C 57.313 0.3 1 972 122 96 GLU CB C 35.949 0.3 1 973 122 96 GLU CG C 38.560 0.3 1 974 122 96 GLU N N 119.509 0.3 1 975 123 97 PHE H H 9.059 0.03 1 976 123 97 PHE HA H 5.960 0.03 1 977 123 97 PHE HB2 H 2.180 0.03 2 978 123 97 PHE HB3 H 2.585 0.03 2 979 123 97 PHE C C 171.874 0.3 1 980 123 97 PHE CA C 54.059 0.3 1 981 123 97 PHE CB C 42.638 0.3 1 982 123 97 PHE N N 122.635 0.3 1 983 124 98 THR H H 8.873 0.03 1 984 124 98 THR HA H 5.164 0.03 1 985 124 98 THR HB H 3.995 0.03 1 986 124 98 THR HG2 H 1.157 0.03 1 987 124 98 THR C C 173.884 0.3 1 988 124 98 THR CA C 61.154 0.3 1 989 124 98 THR CB C 71.229 0.3 1 990 124 98 THR CG2 C 21.000 0.3 1 991 124 98 THR N N 116.776 0.3 1 992 125 99 VAL H H 9.677 0.03 1 993 125 99 VAL HA H 4.784 0.03 1 994 125 99 VAL HB H 1.704 0.03 1 995 125 99 VAL HG1 H -0.380 0.03 2 996 125 99 VAL HG2 H 0.800 0.03 2 997 125 99 VAL C C 174.536 0.3 1 998 125 99 VAL CA C 60.546 0.3 1 999 125 99 VAL CB C 32.878 0.3 1 1000 125 99 VAL CG1 C 23.300 0.3 1 1001 125 99 VAL CG2 C 21.400 0.3 1 1002 125 99 VAL N N 129.863 0.3 1 1003 126 100 THR H H 8.899 0.03 1 1004 126 100 THR HA H 5.289 0.03 1 1005 126 100 THR HB H 3.933 0.03 1 1006 126 100 THR HG2 H 1.230 0.03 1 1007 126 100 THR C C 172.635 0.3 1 1008 126 100 THR CA C 61.109 0.3 1 1009 126 100 THR CB C 70.841 0.3 1 1010 126 100 THR CG2 C 21.900 0.3 1 1011 126 100 THR N N 122.500 0.3 1 1012 127 101 PHE H H 8.774 0.03 1 1013 127 101 PHE HA H 5.000 0.03 1 1014 127 101 PHE HB2 H 2.537 0.03 2 1015 127 101 PHE HB3 H 3.962 0.03 2 1016 127 101 PHE C C 175.700 0.3 1 1017 127 101 PHE CA C 56.769 0.3 1 1018 127 101 PHE CB C 39.919 0.3 1 1019 127 101 PHE N N 123.862 0.3 1 1020 128 102 VAL H H 9.635 0.03 1 1021 128 102 VAL HA H 4.354 0.03 1 1022 128 102 VAL HB H 1.995 0.03 1 1023 128 102 VAL HG1 H 0.900 0.03 2 1024 128 102 VAL HG2 H 0.930 0.03 2 1025 128 102 VAL C C 175.267 0.3 1 1026 128 102 VAL CA C 61.555 0.3 1 1027 128 102 VAL CB C 35.096 0.3 1 1028 128 102 VAL CG1 C 21.500 0.3 1 1029 128 102 VAL CG2 C 20.831 0.3 1 1030 128 102 VAL N N 126.768 0.3 1 1031 129 103 ALA H H 9.136 0.03 1 1032 129 103 ALA HA H 4.544 0.03 1 1033 129 103 ALA HB H 1.540 0.03 1 1034 129 103 ALA C C 176.924 0.3 1 1035 129 103 ALA CA C 53.772 0.3 1 1036 129 103 ALA CB C 19.025 0.3 1 1037 129 103 ALA N N 131.004 0.3 1 1038 130 104 ASP H H 8.325 0.03 1 1039 130 104 ASP HA H 4.918 0.03 1 1040 130 104 ASP HB2 H 2.510 0.03 2 1041 130 104 ASP HB3 H 2.260 0.03 2 1042 130 104 ASP C C 175.319 0.3 1 1043 130 104 ASP CA C 53.074 0.3 1 1044 130 104 ASP CB C 41.625 0.3 1 1045 130 104 ASP N N 126.280 0.3 1 1046 131 105 GLY H H 7.886 0.03 1 1047 131 105 GLY HA2 H 3.845 0.03 2 1048 131 105 GLY HA3 H 4.300 0.03 2 1049 131 105 GLY CA C 44.588 0.3 1 1050 131 105 GLY N N 107.416 0.3 1 1051 132 106 GLN H H 8.652 0.03 1 1052 132 106 GLN HA H 4.143 0.03 1 1053 132 106 GLN HB2 H 1.626 0.03 2 1054 132 106 GLN HB3 H 2.004 0.03 2 1055 132 106 GLN C C 175.400 0.3 1 1056 132 106 GLN CA C 54.818 0.3 1 1057 132 106 GLN CB C 33.250 0.3 1 1058 132 106 GLN N N 117.459 0.3 1 1059 133 107 LYS H H 9.272 0.03 1 1060 133 107 LYS HA H 4.100 0.03 1 1061 133 107 LYS HB2 H 1.990 0.03 2 1062 133 107 LYS HB3 H 1.620 0.03 2 1063 133 107 LYS HG2 H 1.390 0.03 2 1064 133 107 LYS HG3 H 1.345 0.03 2 1065 133 107 LYS HD2 H 1.645 0.03 2 1066 133 107 LYS HE2 H 3.017 0.03 2 1067 133 107 LYS HE3 H 2.981 0.03 2 1068 133 107 LYS C C 174.499 0.3 1 1069 133 107 LYS CA C 55.300 0.3 1 1070 133 107 LYS CB C 33.243 0.3 1 1071 133 107 LYS CG C 25.702 0.3 1 1072 133 107 LYS CD C 29.306 0.3 1 1073 133 107 LYS CE C 42.372 0.3 1 1074 133 107 LYS N N 125.663 0.3 1 1075 134 108 LYS H H 6.839 0.03 1 1076 134 108 LYS HA H 5.130 0.03 1 1077 134 108 LYS HB2 H 1.855 0.03 2 1078 134 108 LYS HB3 H 1.591 0.03 2 1079 134 108 LYS HG2 H 1.261 0.03 2 1080 134 108 LYS HG3 H 1.360 0.03 2 1081 134 108 LYS HD2 H 1.686 0.03 1 1082 134 108 LYS HD3 H 1.686 0.03 1 1083 134 108 LYS HE2 H 2.920 0.03 2 1084 134 108 LYS HE3 H 2.887 0.03 2 1085 134 108 LYS C C 175.850 0.3 1 1086 134 108 LYS CA C 55.967 0.3 1 1087 134 108 LYS CB C 36.271 0.3 1 1088 134 108 LYS CG C 25.522 0.3 1 1089 134 108 LYS CD C 29.529 0.3 1 1090 134 108 LYS CE C 41.915 0.3 1 1091 134 108 LYS N N 116.760 0.3 1 1092 135 109 THR H H 8.999 0.03 1 1093 135 109 THR HA H 4.886 0.03 1 1094 135 109 THR HB H 3.677 0.03 1 1095 135 109 THR HG2 H 1.250 0.03 1 1096 135 109 THR C C 172.305 0.3 1 1097 135 109 THR CA C 62.737 0.3 1 1098 135 109 THR CB C 72.777 0.3 1 1099 135 109 THR CG2 C 22.572 0.3 1 1100 135 109 THR N N 120.476 0.3 1 1101 136 110 ARG H H 9.838 0.03 1 1102 136 110 ARG HA H 4.870 0.03 1 1103 136 110 ARG HB2 H 1.820 0.03 2 1104 136 110 ARG HB3 H 1.610 0.03 2 1105 136 110 ARG HG2 H 1.521 0.03 2 1106 136 110 ARG HG3 H 1.343 0.03 2 1107 136 110 ARG HD2 H 3.340 0.03 2 1108 136 110 ARG HD3 H 3.041 0.03 2 1109 136 110 ARG C C 175.492 0.3 1 1110 136 110 ARG CA C 55.658 0.3 1 1111 136 110 ARG CB C 31.836 0.3 1 1112 136 110 ARG CG C 28.437 0.3 1 1113 136 110 ARG CD C 43.300 0.3 1 1114 136 110 ARG N N 130.859 0.3 1 1115 137 111 VAL H H 9.383 0.03 1 1116 137 111 VAL HA H 4.290 0.03 1 1117 137 111 VAL HB H 2.005 0.03 1 1118 137 111 VAL HG1 H -0.037 0.03 2 1119 137 111 VAL HG2 H 0.890 0.03 2 1120 137 111 VAL C C 173.638 0.3 1 1121 137 111 VAL CA C 61.352 0.3 1 1122 137 111 VAL CB C 32.401 0.3 1 1123 137 111 VAL CG1 C 20.592 0.3 1 1124 137 111 VAL CG2 C 21.467 0.3 1 1125 137 111 VAL N N 129.711 0.3 1 1126 138 112 ASP H H 8.638 0.03 1 1127 138 112 ASP HA H 5.060 0.03 1 1128 138 112 ASP HB2 H 2.465 0.03 2 1129 138 112 ASP HB3 H 2.533 0.03 2 1130 138 112 ASP C C 174.995 0.3 1 1131 138 112 ASP CA C 52.720 0.3 1 1132 138 112 ASP CB C 42.577 0.3 1 1133 138 112 ASP N N 125.481 0.3 1 1134 139 113 VAL H H 8.893 0.03 1 1135 139 113 VAL HA H 4.540 0.03 1 1136 139 113 VAL HB H 1.220 0.03 1 1137 139 113 VAL HG1 H -0.550 0.03 2 1138 139 113 VAL HG2 H 0.175 0.03 2 1139 139 113 VAL C C 175.499 0.3 1 1140 139 113 VAL CA C 61.205 0.3 1 1141 139 113 VAL CB C 33.683 0.3 1 1142 139 113 VAL CG1 C 18.873 0.3 1 1143 139 113 VAL CG2 C 21.934 0.3 1 1144 139 113 VAL N N 121.806 0.3 1 1145 140 114 GLU H H 8.632 0.03 1 1146 140 114 GLU HA H 5.195 0.03 1 1147 140 114 GLU HB2 H 1.960 0.03 2 1148 140 114 GLU HB3 H 2.146 0.03 2 1149 140 114 GLU HG2 H 2.087 0.03 2 1150 140 114 GLU HG3 H 2.140 0.03 2 1151 140 114 GLU C C 173.598 0.3 1 1152 140 114 GLU CA C 55.290 0.3 1 1153 140 114 GLU CB C 32.964 0.3 1 1154 140 114 GLU CG C 38.860 0.3 1 1155 140 114 GLU N N 127.987 0.3 1 1156 141 115 HIS H H 10.210 0.03 1 1157 141 115 HIS HA H 5.431 0.03 1 1158 141 115 HIS HB2 H 2.755 0.03 2 1159 141 115 HIS HB3 H 3.634 0.03 2 1160 141 115 HIS C C 173.889 0.3 1 1161 141 115 HIS CA C 53.797 0.3 1 1162 141 115 HIS CB C 36.353 0.3 1 1163 141 115 HIS N N 133.373 0.3 1 1164 142 116 THR H H 9.228 0.03 1 1165 142 116 THR HA H 4.400 0.03 1 1166 142 116 THR HB H 3.851 0.03 1 1167 142 116 THR HG2 H 0.679 0.03 1 1168 142 116 THR C C 171.750 0.3 1 1169 142 116 THR CA C 59.754 0.3 1 1170 142 116 THR CB C 69.314 0.3 1 1171 142 116 THR CG2 C 15.480 0.3 1 1172 142 116 THR N N 121.235 0.3 1 1173 143 117 HIS H H 8.390 0.03 1 1174 143 117 HIS CA C 57.166 0.3 1 1175 143 117 HIS CB C 27.089 0.3 1 1176 143 117 HIS N N 114.257 0.3 1 1177 144 118 PHE H H 8.868 0.03 1 1178 144 118 PHE HA H 4.067 0.03 1 1179 144 118 PHE HB2 H 2.854 0.03 2 1180 144 118 PHE HB3 H 3.325 0.03 2 1181 144 118 PHE C C 177.176 0.3 1 1182 144 118 PHE CA C 62.075 0.3 1 1183 144 118 PHE CB C 38.176 0.3 1 1184 144 118 PHE N N 117.951 0.3 1 1185 145 119 ASP H H 8.949 0.03 1 1186 145 119 ASP HA H 4.181 0.03 1 1187 145 119 ASP HB2 H 2.715 0.03 2 1188 145 119 ASP HB3 H 2.920 0.03 2 1189 145 119 ASP C C 178.699 0.3 1 1190 145 119 ASP CA C 55.790 0.3 1 1191 145 119 ASP CB C 39.320 0.3 1 1192 145 119 ASP N N 114.111 0.3 1 1193 146 120 ARG H H 7.416 0.03 1 1194 146 120 ARG HA H 4.140 0.03 1 1195 146 120 ARG HB2 H 1.933 0.03 2 1196 146 120 ARG HB3 H 1.730 0.03 2 1197 146 120 ARG HG2 H 1.449 0.03 2 1198 146 120 ARG HG3 H 1.540 0.03 2 1199 146 120 ARG HD2 H 2.997 0.03 2 1200 146 120 ARG C C 177.047 0.3 1 1201 146 120 ARG CA C 58.952 0.3 1 1202 146 120 ARG CB C 29.682 0.3 1 1203 146 120 ARG CG C 25.000 0.3 1 1204 146 120 ARG CD C 42.170 0.3 1 1205 146 120 ARG N N 121.083 0.3 1 1206 147 121 MET H H 7.814 0.03 1 1207 147 121 MET HA H 4.643 0.03 1 1208 147 121 MET HB2 H 2.148 0.03 2 1209 147 121 MET HB3 H 2.337 0.03 2 1210 147 121 MET C C 177.501 0.3 1 1211 147 121 MET CA C 53.421 0.3 1 1212 147 121 MET CB C 29.351 0.3 1 1213 147 121 MET N N 111.011 0.3 1 1214 148 122 GLY H H 7.503 0.03 1 1215 148 122 GLY HA2 H 4.050 0.03 1 1216 148 122 GLY HA3 H 4.050 0.03 1 1217 148 122 GLY CA C 44.390 0.3 1 1218 148 122 GLY N N 106.599 0.3 1 1219 150 124 LYS HA H 4.126 0.03 1 1220 150 124 LYS HB2 H 1.521 0.03 2 1221 150 124 LYS HB3 H 1.718 0.03 2 1222 150 124 LYS HG2 H 1.144 0.03 2 1223 150 124 LYS HG3 H 1.350 0.03 2 1224 150 124 LYS HD2 H 1.718 0.03 2 1225 150 124 LYS HD3 H 1.660 0.03 2 1226 150 124 LYS HE2 H 2.992 0.03 2 1227 150 124 LYS HE3 H 2.967 0.03 2 1228 150 124 LYS C C 177.541 0.3 1 1229 150 124 LYS CA C 58.548 0.3 1 1230 150 124 LYS CB C 32.532 0.3 1 1231 150 124 LYS CG C 25.204 0.3 1 1232 150 124 LYS CD C 29.006 0.3 1 1233 150 124 LYS CE C 42.003 0.3 1 1234 151 125 HIS H H 7.279 0.03 1 1235 151 125 HIS HA H 4.510 0.03 1 1236 151 125 HIS HB2 H 2.524 0.03 2 1237 151 125 HIS HB3 H 2.892 0.03 2 1238 151 125 HIS C C 176.016 0.3 1 1239 151 125 HIS CA C 57.840 0.3 1 1240 151 125 HIS CB C 35.295 0.3 1 1241 151 125 HIS N N 114.609 0.3 1 1242 152 126 ALA H H 8.254 0.03 1 1243 152 126 ALA HA H 3.738 0.03 1 1244 152 126 ALA HB H 1.327 0.03 1 1245 152 126 ALA C C 177.514 0.3 1 1246 152 126 ALA CA C 57.694 0.3 1 1247 152 126 ALA CB C 20.130 0.3 1 1248 152 126 ALA N N 122.063 0.3 1 1249 153 127 LYS H H 8.155 0.03 1 1250 153 127 LYS HA H 4.190 0.03 1 1251 153 127 LYS HB2 H 1.604 0.03 2 1252 153 127 LYS HB3 H 1.636 0.03 2 1253 153 127 LYS HD2 H 1.750 0.03 2 1254 153 127 LYS HE2 H 3.024 0.03 2 1255 153 127 LYS HE3 H 2.916 0.03 2 1256 153 127 LYS C C 177.536 0.3 1 1257 153 127 LYS CA C 59.610 0.3 1 1258 153 127 LYS CB C 32.499 0.3 1 1259 153 127 LYS CG C 25.155 0.3 1 1260 153 127 LYS CD C 29.300 0.3 1 1261 153 127 LYS CE C 41.950 0.3 1 1262 153 127 LYS N N 116.152 0.3 1 1263 154 128 ARG H H 7.585 0.03 1 1264 154 128 ARG HA H 4.006 0.03 1 1265 154 128 ARG HB2 H 1.820 0.03 2 1266 154 128 ARG HB3 H 1.767 0.03 2 1267 154 128 ARG HG2 H 1.702 0.03 2 1268 154 128 ARG HG3 H 1.580 0.03 2 1269 154 128 ARG HD2 H 2.869 0.03 2 1270 154 128 ARG HD3 H 3.044 0.03 2 1271 154 128 ARG C C 180.637 0.3 1 1272 154 128 ARG CA C 59.297 0.3 1 1273 154 128 ARG CB C 30.861 0.3 1 1274 154 128 ARG CG C 28.300 0.3 1 1275 154 128 ARG CD C 43.300 0.3 1 1276 154 128 ARG N N 117.613 0.3 1 1277 155 129 VAL H H 8.461 0.03 1 1278 155 129 VAL HA H 3.662 0.03 1 1279 155 129 VAL HB H 2.060 0.03 1 1280 155 129 VAL HG1 H 1.315 0.03 2 1281 155 129 VAL HG2 H 1.130 0.03 2 1282 155 129 VAL C C 176.856 0.3 1 1283 155 129 VAL CA C 66.150 0.3 1 1284 155 129 VAL CB C 31.765 0.3 1 1285 155 129 VAL CG1 C 21.400 0.3 1 1286 155 129 VAL CG2 C 23.162 0.3 1 1287 155 129 VAL N N 120.211 0.3 1 1288 156 130 ARG H H 7.880 0.03 1 1289 156 130 ARG HA H 2.002 0.03 1 1290 156 130 ARG HB2 H 0.964 0.03 2 1291 156 130 ARG HG2 H 1.653 0.03 1 1292 156 130 ARG HG3 H 1.653 0.03 1 1293 156 130 ARG HD2 H 2.785 0.03 2 1294 156 130 ARG C C 178.845 0.3 1 1295 156 130 ARG CA C 60.154 0.3 1 1296 156 130 ARG CB C 28.386 0.3 1 1297 156 130 ARG CG C 28.300 0.3 1 1298 156 130 ARG CD C 44.300 0.3 1 1299 156 130 ARG N N 121.806 0.3 1 1300 157 131 ASN H H 8.442 0.03 1 1301 157 131 ASN HA H 4.453 0.03 1 1302 157 131 ASN HB2 H 2.780 0.03 2 1303 157 131 ASN HB3 H 2.787 0.03 2 1304 157 131 ASN HD21 H 6.869 0.03 2 1305 157 131 ASN HD22 H 8.433 0.03 2 1306 157 131 ASN C C 178.630 0.3 1 1307 157 131 ASN CA C 55.511 0.3 1 1308 157 131 ASN CB C 37.329 0.3 1 1309 157 131 ASN N N 116.766 0.3 1 1310 157 131 ASN ND2 N 117.070 0.3 1 1311 158 132 GLY H H 8.180 0.03 1 1312 158 132 GLY HA2 H 3.860 0.03 1 1313 158 132 GLY HA3 H 3.860 0.03 1 1314 158 132 GLY C C 177.686 0.3 1 1315 158 132 GLY CA C 47.589 0.3 1 1316 158 132 GLY N N 109.805 0.3 1 1317 159 133 MET H H 8.530 0.03 1 1318 159 133 MET HA H 4.760 0.03 1 1319 159 133 MET HB2 H 2.128 0.03 2 1320 159 133 MET HB3 H 2.000 0.03 2 1321 159 133 MET C C 178.543 0.3 1 1322 159 133 MET CA C 55.230 0.3 1 1323 159 133 MET CB C 28.012 0.3 1 1324 159 133 MET N N 119.748 0.3 1 1325 160 134 ASP H H 8.462 0.03 1 1326 160 134 ASP HA H 4.883 0.03 1 1327 160 134 ASP HB2 H 2.928 0.03 2 1328 160 134 ASP HB3 H 2.976 0.03 2 1329 160 134 ASP C C 177.888 0.3 1 1330 160 134 ASP CA C 57.625 0.3 1 1331 160 134 ASP CB C 41.588 0.3 1 1332 160 134 ASP N N 122.420 0.3 1 1333 161 135 LYS H H 7.298 0.03 1 1334 161 135 LYS HA H 4.240 0.03 1 1335 161 135 LYS HB2 H 1.558 0.03 2 1336 161 135 LYS HB3 H 1.908 0.03 2 1337 161 135 LYS HD2 H 1.634 0.03 2 1338 161 135 LYS HE2 H 2.995 0.03 2 1339 161 135 LYS C C 179.228 0.3 1 1340 161 135 LYS CA C 57.459 0.3 1 1341 161 135 LYS CB C 32.780 0.3 1 1342 161 135 LYS CG C 25.072 0.3 1 1343 161 135 LYS CD C 28.728 0.3 1 1344 161 135 LYS CE C 41.972 0.3 1 1345 161 135 LYS N N 113.411 0.3 1 1346 162 136 GLY H H 8.299 0.03 1 1347 162 136 GLY HA2 H 3.644 0.03 2 1348 162 136 GLY HA3 H 4.132 0.03 2 1349 162 136 GLY C C 175.175 0.3 1 1350 162 136 GLY CA C 46.748 0.3 1 1351 162 136 GLY N N 106.881 0.3 1 1352 163 137 TRP H H 9.000 0.03 1 1353 163 137 TRP HA H 4.591 0.03 1 1354 163 137 TRP HB2 H 2.834 0.03 2 1355 163 137 TRP HB3 H 3.250 0.03 2 1356 163 137 TRP HE1 H 12.017 0.03 1 1357 163 137 TRP CA C 62.861 0.3 1 1358 163 137 TRP CB C 29.126 0.3 1 1359 163 137 TRP N N 121.383 0.3 1 1360 163 137 TRP NE1 N 132.829 0.3 1 1361 164 138 PRO HA H 4.159 0.03 1 1362 164 138 PRO HB2 H 1.225 0.03 2 1363 164 138 PRO HB3 H 1.822 0.03 2 1364 164 138 PRO HG2 H 2.338 0.03 2 1365 164 138 PRO HG3 H 2.343 0.03 2 1366 164 138 PRO C C 179.198 0.3 1 1367 164 138 PRO CA C 66.670 0.3 1 1368 164 138 PRO CB C 31.141 0.3 1 1369 164 138 PRO CG C 28.108 0.3 1 1370 165 139 THR H H 6.915 0.03 1 1371 165 139 THR HA H 4.030 0.03 1 1372 165 139 THR HB H 4.295 0.03 1 1373 165 139 THR HG2 H 1.139 0.03 1 1374 165 139 THR C C 176.656 0.3 1 1375 165 139 THR CA C 66.136 0.3 1 1376 165 139 THR CB C 68.925 0.3 1 1377 165 139 THR CG2 C 21.959 0.3 1 1378 165 139 THR N N 114.809 0.3 1 1379 166 140 ILE H H 8.050 0.03 1 1380 166 140 ILE HA H 3.060 0.03 1 1381 166 140 ILE HB H 1.787 0.03 1 1382 166 140 ILE HG12 H -0.656 0.03 1 1383 166 140 ILE HG13 H 1.030 0.03 1 1384 166 140 ILE HG2 H 0.686 0.03 1 1385 166 140 ILE HD1 H -0.440 0.03 1 1386 166 140 ILE C C 177.885 0.3 1 1387 166 140 ILE CA C 66.335 0.3 1 1388 166 140 ILE CB C 38.447 0.3 1 1389 166 140 ILE CG1 C 28.800 0.3 1 1390 166 140 ILE CG2 C 21.200 0.3 1 1391 166 140 ILE CD1 C 12.511 0.3 1 1392 166 140 ILE N N 124.941 0.3 1 1393 167 141 LEU H H 9.022 0.03 1 1394 167 141 LEU HA H 4.188 0.03 1 1395 167 141 LEU HB2 H 1.970 0.03 2 1396 167 141 LEU HB3 H 1.498 0.03 2 1397 167 141 LEU HG H 2.243 0.03 1 1398 167 141 LEU HD1 H 0.752 0.03 2 1399 167 141 LEU HD2 H 0.878 0.03 2 1400 167 141 LEU C C 179.038 0.3 1 1401 167 141 LEU CA C 57.522 0.3 1 1402 167 141 LEU CB C 40.703 0.3 1 1403 167 141 LEU CG C 27.300 0.3 1 1404 167 141 LEU CD1 C 25.170 0.3 1 1405 167 141 LEU CD2 C 20.750 0.3 1 1406 167 141 LEU N N 116.356 0.3 1 1407 168 142 GLN H H 8.071 0.03 1 1408 168 142 GLN HA H 4.100 0.03 1 1409 168 142 GLN HB2 H 2.229 0.03 2 1410 168 142 GLN HB3 H 2.283 0.03 2 1411 168 142 GLN HG2 H 2.335 0.03 2 1412 168 142 GLN HG3 H 2.411 0.03 2 1413 168 142 GLN HE21 H 7.820 0.03 2 1414 168 142 GLN HE22 H 6.780 0.03 2 1415 168 142 GLN C C 177.554 0.3 1 1416 168 142 GLN CA C 58.702 0.3 1 1417 168 142 GLN CB C 28.636 0.3 1 1418 168 142 GLN CG C 34.000 0.3 1 1419 168 142 GLN N N 120.187 0.3 1 1420 168 142 GLN NE2 N 115.252 0.3 1 1421 169 143 SER H H 7.666 0.03 1 1422 169 143 SER HA H 4.370 0.03 1 1423 169 143 SER HB2 H 4.560 0.03 2 1424 169 143 SER HB3 H 4.139 0.03 2 1425 169 143 SER C C 177.796 0.3 1 1426 169 143 SER CA C 62.331 0.3 1 1427 169 143 SER CB C 63.217 0.3 1 1428 169 143 SER N N 115.343 0.3 1 1429 170 144 PHE H H 7.775 0.03 1 1430 170 144 PHE HA H 3.510 0.03 1 1431 170 144 PHE HB2 H 1.980 0.03 2 1432 170 144 PHE HB3 H 2.760 0.03 2 1433 170 144 PHE C C 175.394 0.3 1 1434 170 144 PHE CA C 60.579 0.3 1 1435 170 144 PHE CB C 38.061 0.3 1 1436 170 144 PHE N N 122.116 0.3 1 1437 171 145 GLN H H 8.439 0.03 1 1438 171 145 GLN HA H 3.367 0.03 1 1439 171 145 GLN HB2 H 1.960 0.03 2 1440 171 145 GLN HB3 H 2.370 0.03 2 1441 171 145 GLN HG2 H 2.392 0.03 2 1442 171 145 GLN HG3 H 2.317 0.03 2 1443 171 145 GLN HE21 H 7.558 0.03 2 1444 171 145 GLN HE22 H 6.903 0.03 2 1445 171 145 GLN C C 177.799 0.3 1 1446 171 145 GLN CA C 59.726 0.3 1 1447 171 145 GLN CB C 29.412 0.3 1 1448 171 145 GLN CG C 33.933 0.3 1 1449 171 145 GLN N N 119.709 0.3 1 1450 171 145 GLN NE2 N 112.939 0.3 1 1451 172 146 ASP H H 8.661 0.03 1 1452 172 146 ASP HA H 4.350 0.03 1 1453 172 146 ASP HB2 H 2.719 0.03 2 1454 172 146 ASP HB3 H 2.865 0.03 2 1455 172 146 ASP C C 178.471 0.3 1 1456 172 146 ASP CA C 57.333 0.3 1 1457 172 146 ASP CB C 40.418 0.3 1 1458 172 146 ASP N N 118.891 0.3 1 1459 173 147 LYS H H 7.650 0.03 1 1460 173 147 LYS HA H 4.239 0.03 1 1461 173 147 LYS HB2 H 1.483 0.03 2 1462 173 147 LYS HB3 H 1.990 0.03 2 1463 173 147 LYS C C 178.456 0.3 1 1464 173 147 LYS CA C 57.496 0.3 1 1465 173 147 LYS CB C 30.858 0.3 1 1466 173 147 LYS CG C 24.532 0.3 1 1467 173 147 LYS CD C 27.591 0.3 1 1468 173 147 LYS CE C 42.049 0.3 1 1469 173 147 LYS N N 120.927 0.3 1 1470 174 148 ILE H H 7.661 0.03 1 1471 174 148 ILE HA H 3.629 0.03 1 1472 174 148 ILE HB H 1.760 0.03 1 1473 174 148 ILE HG12 H 0.570 0.03 1 1474 174 148 ILE HG13 H 0.830 0.03 1 1475 174 148 ILE HG2 H 0.671 0.03 1 1476 174 148 ILE HD1 H 0.365 0.03 1 1477 174 148 ILE C C 178.677 0.3 1 1478 174 148 ILE CA C 62.090 0.3 1 1479 174 148 ILE CB C 35.709 0.3 1 1480 174 148 ILE CG1 C 27.160 0.3 1 1481 174 148 ILE CG2 C 18.700 0.3 1 1482 174 148 ILE CD1 C 10.200 0.3 1 1483 174 148 ILE N N 119.384 0.3 1 1484 175 149 ASP H H 8.155 0.03 1 1485 175 149 ASP HA H 4.477 0.03 1 1486 175 149 ASP HB2 H 2.710 0.03 2 1487 175 149 ASP HB3 H 2.815 0.03 2 1488 175 149 ASP C C 178.228 0.3 1 1489 175 149 ASP CA C 56.764 0.3 1 1490 175 149 ASP CB C 40.649 0.3 1 1491 175 149 ASP N N 120.964 0.3 1 1492 176 150 GLU H H 7.948 0.03 1 1493 176 150 GLU HA H 4.122 0.03 1 1494 176 150 GLU HB2 H 2.217 0.03 2 1495 176 150 GLU HB3 H 2.207 0.03 2 1496 176 150 GLU HG2 H 2.429 0.03 2 1497 176 150 GLU HG3 H 2.255 0.03 2 1498 176 150 GLU C C 178.262 0.3 1 1499 176 150 GLU CA C 58.700 0.3 1 1500 176 150 GLU CB C 30.000 0.3 1 1501 176 150 GLU CG C 36.022 0.3 1 1502 176 150 GLU N N 120.660 0.3 1 1503 177 151 GLU H H 8.148 0.03 1 1504 177 151 GLU HA H 4.210 0.03 1 1505 177 151 GLU HB2 H 2.050 0.03 2 1506 177 151 GLU HB3 H 2.130 0.03 2 1507 177 151 GLU HG2 H 2.393 0.03 2 1508 177 151 GLU HG3 H 2.329 0.03 2 1509 177 151 GLU C C 178.577 0.3 1 1510 177 151 GLU CA C 58.028 0.3 1 1511 177 151 GLU CB C 29.861 0.3 1 1512 177 151 GLU CG C 36.319 0.3 1 1513 177 151 GLU N N 118.952 0.3 1 1514 178 152 GLY H H 8.200 0.03 1 1515 178 152 GLY HA2 H 4.031 0.03 2 1516 178 152 GLY HA3 H 4.010 0.03 2 1517 178 152 GLY C C 174.539 0.3 1 1518 178 152 GLY CA C 46.006 0.3 1 1519 178 152 GLY N N 107.801 0.3 1 1520 179 153 ALA H H 7.736 0.03 1 1521 179 153 ALA HA H 4.385 0.03 1 1522 179 153 ALA HB H 1.469 0.03 1 1523 179 153 ALA C C 177.790 0.3 1 1524 179 153 ALA CA C 52.619 0.3 1 1525 179 153 ALA CB C 19.336 0.3 1 1526 179 153 ALA N N 122.611 0.3 1 1527 180 154 LYS H H 7.874 0.03 1 1528 180 154 LYS HA H 4.320 0.03 1 1529 180 154 LYS HB2 H 1.830 0.03 2 1530 180 154 LYS HB3 H 1.920 0.03 2 1531 180 154 LYS HG2 H 1.552 0.03 2 1532 180 154 LYS HG3 H 1.467 0.03 2 1533 180 154 LYS HD2 H 1.716 0.03 2 1534 180 154 LYS HD3 H 1.696 0.03 2 1535 180 154 LYS HE2 H 2.542 0.03 2 1536 180 154 LYS HE3 H 2.745 0.03 2 1537 180 154 LYS C C 175.799 0.3 1 1538 180 154 LYS CA C 56.563 0.3 1 1539 180 154 LYS CB C 32.892 0.3 1 1540 180 154 LYS CG C 24.862 0.3 1 1541 180 154 LYS CD C 29.128 0.3 1 1542 180 154 LYS CE C 42.268 0.3 1 1543 180 154 LYS N N 120.003 0.3 1 1544 181 155 LYS H H 7.827 0.03 1 1545 181 155 LYS HA H 4.190 0.03 1 1546 181 155 LYS HB2 H 1.860 0.03 2 1547 181 155 LYS HB3 H 1.744 0.03 2 1548 181 155 LYS HG2 H 1.503 0.03 2 1549 181 155 LYS HG3 H 1.433 0.03 2 1550 181 155 LYS HD2 H 2.150 0.03 2 1551 181 155 LYS HD3 H 2.026 0.03 2 1552 181 155 LYS HE2 H 3.030 0.03 1 1553 181 155 LYS HE3 H 3.030 0.03 1 1554 181 155 LYS CA C 57.727 0.3 1 1555 181 155 LYS CB C 33.864 0.3 1 1556 181 155 LYS CG C 24.770 0.3 1 1557 181 155 LYS CD C 29.120 0.3 1 1558 181 155 LYS CE C 42.340 0.3 1 1559 181 155 LYS N N 127.627 0.3 1 stop_ save_