data_11468 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution STRUCTURE OF THE BOMBYX MORI LYSOZYME ; _BMRB_accession_number 11468 _BMRB_flat_file_name bmr11468.str _Entry_type original _Submission_date 2011-12-19 _Accession_date 2011-12-20 _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 Sato Manami . . 2 Tochio Naoya . . 3 Aizawa Tomoyasu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 722 "13C chemical shifts" 536 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-03 original author . stop_ _Original_release_date 2013-01-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Bombyx Mori LYSOZYME' _Citation_status 'in preparation' _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 Sato Manami . . 2 Tochio Naoya . . 3 Watanabe Satoru . . 4 Kigawa Takanori . . 5 Aizawa Tomoyasu . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'THE BOMBYX MORI LYSOZYME' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'THE BOMBYX MORI LYSOZYME' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'THE BOMBYX MORI LYSOZYME' _Molecular_mass 13834.732 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GKTFTRCGLVHELRKHGFEE NLMRNWVCLVEHESSRDTSK TNTNRNGSKDYGLFQINDRY WCSKGASPGKDCNVKCSDLL TDDITKAAKCAKKIYKRHRF DAWYGWKNHCQGSLPDISSC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LYS 3 THR 4 PHE 5 THR 6 ARG 7 CYS 8 GLY 9 LEU 10 VAL 11 HIS 12 GLU 13 LEU 14 ARG 15 LYS 16 HIS 17 GLY 18 PHE 19 GLU 20 GLU 21 ASN 22 LEU 23 MET 24 ARG 25 ASN 26 TRP 27 VAL 28 CYS 29 LEU 30 VAL 31 GLU 32 HIS 33 GLU 34 SER 35 SER 36 ARG 37 ASP 38 THR 39 SER 40 LYS 41 THR 42 ASN 43 THR 44 ASN 45 ARG 46 ASN 47 GLY 48 SER 49 LYS 50 ASP 51 TYR 52 GLY 53 LEU 54 PHE 55 GLN 56 ILE 57 ASN 58 ASP 59 ARG 60 TYR 61 TRP 62 CYS 63 SER 64 LYS 65 GLY 66 ALA 67 SER 68 PRO 69 GLY 70 LYS 71 ASP 72 CYS 73 ASN 74 VAL 75 LYS 76 CYS 77 SER 78 ASP 79 LEU 80 LEU 81 THR 82 ASP 83 ASP 84 ILE 85 THR 86 LYS 87 ALA 88 ALA 89 LYS 90 CYS 91 ALA 92 LYS 93 LYS 94 ILE 95 TYR 96 LYS 97 ARG 98 HIS 99 ARG 100 PHE 101 ASP 102 ALA 103 TRP 104 TYR 105 GLY 106 TRP 107 LYS 108 ASN 109 HIS 110 CYS 111 GLN 112 GLY 113 SER 114 LEU 115 PRO 116 ASP 117 ILE 118 SER 119 SER 120 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1GD6 "Structure Of The Bombyx Mori Lysozyme" 99.17 119 100.00 100.00 2.77e-82 PDB 2RSC "Solution Structure Of The Bombyx Mori Lysozyme" 100.00 120 100.00 100.00 3.67e-83 GB AAB40947 "lysozyme [Bombyx mori]" 100.00 137 99.17 99.17 7.42e-83 REF NP_001037448 "lysozyme precursor [Bombyx mori]" 100.00 137 99.17 99.17 7.42e-83 SP P48816 "RecName: Full=Lysozyme; AltName: Full=1,4-beta-N-acetylmuramidase; Flags: Precursor" 100.00 137 99.17 99.17 7.42e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'domestic silkworm' 7091 Eukaryota Metazoa Bombyx mori 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 $entity 'cell free synthesis' E-coli Escherichia coli . P101129-01 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 'sodium acetate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 3.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water C 13 protons ppm 4.76 internal indirect . . . 0.251449530 water H 1 protons ppm 4.76 internal direct . . . 1 water N 15 protons ppm 4.76 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'THE BOMBYX MORI LYSOZYME' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.826 0.030 2 2 1 1 GLY HA3 H 3.725 0.030 2 3 1 1 GLY C C 169.442 0.030 1 4 1 1 GLY CA C 43.694 0.030 1 5 2 2 LYS H H 8.242 0.030 1 6 2 2 LYS HA H 4.379 0.030 1 7 2 2 LYS HB2 H 1.501 0.030 2 8 2 2 LYS HB3 H 1.458 0.030 2 9 2 2 LYS HG2 H 0.770 0.030 1 10 2 2 LYS HG3 H 0.770 0.030 1 11 2 2 LYS HD2 H 1.356 0.030 1 12 2 2 LYS HD3 H 1.356 0.030 1 13 2 2 LYS HE2 H 2.540 0.030 2 14 2 2 LYS HE3 H 2.370 0.030 2 15 2 2 LYS C C 174.381 0.030 1 16 2 2 LYS CA C 55.649 0.030 1 17 2 2 LYS CB C 34.080 0.030 1 18 2 2 LYS CG C 24.015 0.030 1 19 2 2 LYS CD C 29.213 0.030 1 20 2 2 LYS CE C 41.900 0.030 1 21 2 2 LYS N N 122.297 0.030 1 22 3 3 THR H H 8.257 0.030 1 23 3 3 THR HA H 5.166 0.030 1 24 3 3 THR HB H 3.909 0.030 1 25 3 3 THR HG2 H 1.114 0.030 1 26 3 3 THR C C 175.203 0.030 1 27 3 3 THR CA C 60.455 0.030 1 28 3 3 THR CB C 70.058 0.030 1 29 3 3 THR CG2 C 21.301 0.030 1 30 3 3 THR N N 118.551 0.030 1 31 4 4 PHE H H 8.375 0.030 1 32 4 4 PHE HA H 4.820 0.030 1 33 4 4 PHE HB2 H 3.580 0.030 2 34 4 4 PHE HB3 H 2.557 0.030 2 35 4 4 PHE HD1 H 7.165 0.030 1 36 4 4 PHE HD2 H 7.165 0.030 1 37 4 4 PHE HE1 H 7.324 0.030 1 38 4 4 PHE HE2 H 7.324 0.030 1 39 4 4 PHE C C 178.266 0.030 1 40 4 4 PHE CA C 58.138 0.030 1 41 4 4 PHE CB C 42.909 0.030 1 42 4 4 PHE CD1 C 131.350 0.030 1 43 4 4 PHE CD2 C 131.350 0.030 1 44 4 4 PHE CE1 C 129.492 0.030 1 45 4 4 PHE CE2 C 129.492 0.030 1 46 4 4 PHE CZ C 129.486 0.030 1 47 4 4 PHE N N 124.011 0.030 1 48 5 5 THR H H 8.590 0.030 1 49 5 5 THR HA H 4.409 0.030 1 50 5 5 THR HB H 4.697 0.030 1 51 5 5 THR HG2 H 1.386 0.030 1 52 5 5 THR C C 175.521 0.030 1 53 5 5 THR CA C 60.922 0.030 1 54 5 5 THR CB C 70.555 0.030 1 55 5 5 THR CG2 C 22.105 0.030 1 56 5 5 THR N N 112.355 0.030 1 57 6 6 ARG H H 9.281 0.030 1 58 6 6 ARG HA H 3.670 0.030 1 59 6 6 ARG HB2 H 2.033 0.030 2 60 6 6 ARG HB3 H 1.813 0.030 2 61 6 6 ARG HG2 H 1.411 0.030 1 62 6 6 ARG HG3 H 1.411 0.030 1 63 6 6 ARG HD2 H 3.177 0.030 2 64 6 6 ARG HD3 H 2.958 0.030 2 65 6 6 ARG HE H 9.426 0.030 1 66 6 6 ARG C C 178.152 0.030 1 67 6 6 ARG CA C 62.258 0.030 1 68 6 6 ARG CB C 29.749 0.030 1 69 6 6 ARG CG C 26.109 0.030 1 70 6 6 ARG CD C 43.308 0.030 1 71 6 6 ARG N N 122.508 0.030 1 72 6 6 ARG NE N 84.672 0.030 1 73 7 7 CYS H H 9.152 0.030 1 74 7 7 CYS HA H 4.620 0.030 1 75 7 7 CYS HB2 H 2.743 0.030 2 76 7 7 CYS HB3 H 2.691 0.030 2 77 7 7 CYS C C 178.151 0.030 1 78 7 7 CYS CA C 53.896 0.030 1 79 7 7 CYS CB C 32.815 0.030 1 80 7 7 CYS N N 112.892 0.030 1 81 8 8 GLY H H 8.652 0.030 1 82 8 8 GLY HA2 H 4.302 0.030 2 83 8 8 GLY HA3 H 3.790 0.030 2 84 8 8 GLY C C 177.069 0.030 1 85 8 8 GLY CA C 47.124 0.030 1 86 8 8 GLY N N 112.710 0.030 1 87 9 9 LEU H H 8.492 0.030 1 88 9 9 LEU HA H 3.391 0.030 1 89 9 9 LEU HB2 H 2.366 0.030 2 90 9 9 LEU HB3 H 1.197 0.030 2 91 9 9 LEU HG H 1.214 0.030 1 92 9 9 LEU HD1 H 0.341 0.030 1 93 9 9 LEU HD2 H 0.787 0.030 1 94 9 9 LEU C C 177.409 0.030 1 95 9 9 LEU CA C 57.697 0.030 1 96 9 9 LEU CB C 41.415 0.030 1 97 9 9 LEU CG C 26.716 0.030 1 98 9 9 LEU CD1 C 23.669 0.030 2 99 9 9 LEU CD2 C 27.670 0.030 2 100 9 9 LEU N N 123.516 0.030 1 101 10 10 VAL H H 7.852 0.030 1 102 10 10 VAL HA H 3.406 0.030 1 103 10 10 VAL HB H 2.172 0.030 1 104 10 10 VAL HG1 H 1.032 0.030 1 105 10 10 VAL HG2 H 0.870 0.030 1 106 10 10 VAL C C 177.593 0.030 1 107 10 10 VAL CA C 66.908 0.030 1 108 10 10 VAL CB C 31.584 0.030 1 109 10 10 VAL CG1 C 24.975 0.030 2 110 10 10 VAL CG2 C 20.950 0.030 2 111 10 10 VAL N N 119.345 0.030 1 112 11 11 HIS H H 8.316 0.030 1 113 11 11 HIS HA H 4.354 0.030 1 114 11 11 HIS HB2 H 3.383 0.030 1 115 11 11 HIS HB3 H 3.383 0.030 1 116 11 11 HIS HD2 H 7.052 0.030 1 117 11 11 HIS HE1 H 8.647 0.030 1 118 11 11 HIS C C 177.302 0.030 1 119 11 11 HIS CA C 58.059 0.030 1 120 11 11 HIS CB C 28.201 0.030 1 121 11 11 HIS CD2 C 118.863 0.030 1 122 11 11 HIS CE1 C 136.257 0.030 1 123 11 11 HIS N N 115.678 0.030 1 124 12 12 GLU H H 7.894 0.030 1 125 12 12 GLU HA H 4.108 0.030 1 126 12 12 GLU HB2 H 1.919 0.030 2 127 12 12 GLU HB3 H 1.649 0.030 2 128 12 12 GLU HG2 H 2.329 0.030 2 129 12 12 GLU HG3 H 2.004 0.030 2 130 12 12 GLU C C 179.891 0.030 1 131 12 12 GLU CA C 59.041 0.030 1 132 12 12 GLU CB C 29.355 0.030 1 133 12 12 GLU CG C 35.460 0.030 1 134 12 12 GLU N N 119.971 0.030 1 135 13 13 LEU H H 8.924 0.030 1 136 13 13 LEU HA H 3.762 0.030 1 137 13 13 LEU HB2 H 1.882 0.030 2 138 13 13 LEU HB3 H 0.664 0.030 2 139 13 13 LEU HG H 1.450 0.030 1 140 13 13 LEU HD1 H 0.340 0.030 1 141 13 13 LEU HD2 H -0.377 0.030 1 142 13 13 LEU C C 180.519 0.030 1 143 13 13 LEU CA C 58.108 0.030 1 144 13 13 LEU CB C 39.078 0.030 1 145 13 13 LEU CG C 25.828 0.030 1 146 13 13 LEU CD1 C 25.571 0.030 2 147 13 13 LEU CD2 C 20.010 0.030 2 148 13 13 LEU N N 120.681 0.030 1 149 14 14 ARG H H 8.734 0.030 1 150 14 14 ARG HA H 4.079 0.030 1 151 14 14 ARG HB2 H 1.926 0.030 1 152 14 14 ARG HB3 H 1.926 0.030 1 153 14 14 ARG HG2 H 1.940 0.030 2 154 14 14 ARG HG3 H 1.819 0.030 2 155 14 14 ARG HD2 H 3.094 0.030 2 156 14 14 ARG HD3 H 3.010 0.030 2 157 14 14 ARG HE H 8.549 0.030 1 158 14 14 ARG C C 180.304 0.030 1 159 14 14 ARG CA C 60.473 0.030 1 160 14 14 ARG CB C 30.344 0.030 1 161 14 14 ARG CG C 28.695 0.030 1 162 14 14 ARG CD C 44.171 0.030 1 163 14 14 ARG N N 121.298 0.030 1 164 14 14 ARG NE N 86.910 0.030 1 165 15 15 LYS H H 7.766 0.030 1 166 15 15 LYS HA H 4.098 0.030 1 167 15 15 LYS HB2 H 1.813 0.030 2 168 15 15 LYS HB3 H 1.751 0.030 2 169 15 15 LYS HG2 H 1.437 0.030 2 170 15 15 LYS HG3 H 1.256 0.030 2 171 15 15 LYS HD2 H 1.311 0.030 2 172 15 15 LYS HE2 H 2.888 0.030 1 173 15 15 LYS HE3 H 2.888 0.030 1 174 15 15 LYS C C 177.161 0.030 1 175 15 15 LYS CA C 58.422 0.030 1 176 15 15 LYS CB C 32.394 0.030 1 177 15 15 LYS CG C 24.931 0.030 1 178 15 15 LYS CD C 29.355 0.030 1 179 15 15 LYS CE C 41.818 0.030 1 180 15 15 LYS N N 118.652 0.030 1 181 16 16 HIS H H 7.461 0.030 1 182 16 16 HIS HA H 4.743 0.030 1 183 16 16 HIS HB2 H 3.778 0.030 2 184 16 16 HIS HB3 H 2.764 0.030 2 185 16 16 HIS HD2 H 7.706 0.030 1 186 16 16 HIS HE1 H 9.000 0.030 1 187 16 16 HIS C C 174.108 0.030 1 188 16 16 HIS CA C 55.893 0.030 1 189 16 16 HIS CB C 27.977 0.030 1 190 16 16 HIS CD2 C 120.800 0.030 1 191 16 16 HIS CE1 C 137.810 0.030 1 192 16 16 HIS N N 113.109 0.030 1 193 17 17 GLY H H 7.758 0.030 1 194 17 17 GLY HA2 H 3.838 0.030 1 195 17 17 GLY HA3 H 3.838 0.030 1 196 17 17 GLY C C 175.147 0.030 1 197 17 17 GLY CA C 47.178 0.030 1 198 17 17 GLY N N 106.249 0.030 1 199 18 18 PHE H H 7.696 0.030 1 200 18 18 PHE HA H 4.127 0.030 1 201 18 18 PHE HB2 H 2.427 0.030 2 202 18 18 PHE HB3 H 2.251 0.030 2 203 18 18 PHE HD1 H 6.334 0.030 1 204 18 18 PHE HD2 H 6.334 0.030 1 205 18 18 PHE HE1 H 5.782 0.030 1 206 18 18 PHE HE2 H 5.782 0.030 1 207 18 18 PHE HZ H 6.330 0.030 1 208 18 18 PHE C C 175.269 0.030 1 209 18 18 PHE CA C 58.793 0.030 1 210 18 18 PHE CB C 38.172 0.030 1 211 18 18 PHE CD1 C 131.508 0.030 1 212 18 18 PHE CD2 C 131.508 0.030 1 213 18 18 PHE CE1 C 129.955 0.030 1 214 18 18 PHE CE2 C 129.955 0.030 1 215 18 18 PHE CZ C 128.543 0.030 1 216 18 18 PHE N N 120.970 0.030 1 217 19 19 GLU H H 9.097 0.030 1 218 19 19 GLU HA H 4.102 0.030 1 219 19 19 GLU HB2 H 2.221 0.030 2 220 19 19 GLU HB3 H 2.015 0.030 2 221 19 19 GLU HG2 H 2.554 0.030 1 222 19 19 GLU HG3 H 2.554 0.030 1 223 19 19 GLU C C 178.435 0.030 1 224 19 19 GLU CA C 56.894 0.030 1 225 19 19 GLU CB C 29.313 0.030 1 226 19 19 GLU CG C 35.094 0.030 1 227 19 19 GLU N N 124.144 0.030 1 228 20 20 GLU H H 8.992 0.030 1 229 20 20 GLU HA H 3.984 0.030 1 230 20 20 GLU HB2 H 2.246 0.030 2 231 20 20 GLU HB3 H 1.992 0.030 2 232 20 20 GLU HG2 H 2.493 0.030 2 233 20 20 GLU HG3 H 2.376 0.030 2 234 20 20 GLU C C 179.367 0.030 1 235 20 20 GLU CA C 59.288 0.030 1 236 20 20 GLU CB C 28.690 0.030 1 237 20 20 GLU CG C 34.468 0.030 1 238 20 20 GLU N N 126.139 0.030 1 239 21 21 ASN H H 9.048 0.030 1 240 21 21 ASN HA H 4.579 0.030 1 241 21 21 ASN HB2 H 2.989 0.030 2 242 21 21 ASN HB3 H 2.861 0.030 2 243 21 21 ASN HD21 H 7.700 0.030 2 244 21 21 ASN HD22 H 6.890 0.030 2 245 21 21 ASN C C 176.408 0.030 1 246 21 21 ASN CA C 55.680 0.030 1 247 21 21 ASN CB C 37.173 0.030 1 248 21 21 ASN N N 114.943 0.030 1 249 21 21 ASN ND2 N 112.590 0.030 1 250 22 22 LEU H H 7.386 0.030 1 251 22 22 LEU HA H 4.835 0.030 1 252 22 22 LEU HB2 H 1.975 0.030 1 253 22 22 LEU HB3 H 1.975 0.030 1 254 22 22 LEU HG H 1.681 0.030 1 255 22 22 LEU HD1 H 0.841 0.030 1 256 22 22 LEU HD2 H 0.971 0.030 1 257 22 22 LEU C C 177.737 0.030 1 258 22 22 LEU CA C 54.408 0.030 1 259 22 22 LEU CB C 43.950 0.030 1 260 22 22 LEU CG C 26.492 0.030 1 261 22 22 LEU CD1 C 25.862 0.030 2 262 22 22 LEU CD2 C 22.517 0.030 2 263 22 22 LEU N N 117.394 0.030 1 264 23 23 MET H H 7.885 0.030 1 265 23 23 MET HA H 4.618 0.030 1 266 23 23 MET HB2 H 2.368 0.030 2 267 23 23 MET HB3 H 2.207 0.030 2 268 23 23 MET HG2 H 2.707 0.030 1 269 23 23 MET HG3 H 2.707 0.030 1 270 23 23 MET HE H 1.761 0.030 1 271 23 23 MET C C 177.653 0.030 1 272 23 23 MET CA C 57.485 0.030 1 273 23 23 MET CB C 31.315 0.030 1 274 23 23 MET CG C 32.491 0.030 1 275 23 23 MET CE C 16.350 0.030 1 276 23 23 MET N N 123.090 0.030 1 277 24 24 ARG H H 8.739 0.030 1 278 24 24 ARG HA H 3.722 0.030 1 279 24 24 ARG HB2 H 2.013 0.030 2 280 24 24 ARG HB3 H 1.819 0.030 2 281 24 24 ARG HG2 H 1.697 0.030 1 282 24 24 ARG HG3 H 1.697 0.030 1 283 24 24 ARG HD2 H 3.496 0.030 2 284 24 24 ARG HD3 H 3.167 0.030 2 285 24 24 ARG HE H 6.952 0.030 1 286 24 24 ARG C C 178.708 0.030 1 287 24 24 ARG CA C 61.401 0.030 1 288 24 24 ARG CB C 31.497 0.030 1 289 24 24 ARG CG C 28.296 0.030 1 290 24 24 ARG CD C 44.291 0.030 1 291 24 24 ARG N N 116.925 0.030 1 292 24 24 ARG NE N 84.136 0.030 1 293 25 25 ASN H H 7.761 0.030 1 294 25 25 ASN HA H 4.224 0.030 1 295 25 25 ASN HB2 H 2.729 0.030 2 296 25 25 ASN HB3 H 1.473 0.030 2 297 25 25 ASN HD21 H 7.518 0.030 2 298 25 25 ASN HD22 H 7.468 0.030 2 299 25 25 ASN C C 177.128 0.030 1 300 25 25 ASN CA C 57.942 0.030 1 301 25 25 ASN CB C 41.550 0.030 1 302 25 25 ASN N N 118.356 0.030 1 303 25 25 ASN ND2 N 115.849 0.030 1 304 26 26 TRP H H 8.495 0.030 1 305 26 26 TRP HA H 4.263 0.030 1 306 26 26 TRP HB2 H 3.293 0.030 2 307 26 26 TRP HB3 H 2.947 0.030 2 308 26 26 TRP HD1 H 6.939 0.030 1 309 26 26 TRP HE1 H 9.794 0.030 1 310 26 26 TRP HE3 H 7.335 0.030 1 311 26 26 TRP HZ2 H 6.715 0.030 1 312 26 26 TRP HZ3 H 6.316 0.030 1 313 26 26 TRP HH2 H 6.937 0.030 1 314 26 26 TRP C C 178.778 0.030 1 315 26 26 TRP CA C 61.233 0.030 1 316 26 26 TRP CB C 30.106 0.030 1 317 26 26 TRP CD1 C 126.632 0.030 1 318 26 26 TRP CE3 C 119.694 0.030 1 319 26 26 TRP CZ2 C 115.563 0.030 1 320 26 26 TRP CZ3 C 122.266 0.030 1 321 26 26 TRP CH2 C 124.310 0.030 1 322 26 26 TRP N N 119.467 0.030 1 323 26 26 TRP NE1 N 128.095 0.030 1 324 27 27 VAL H H 8.724 0.030 1 325 27 27 VAL HA H 3.342 0.030 1 326 27 27 VAL HB H 1.921 0.030 1 327 27 27 VAL HG1 H 0.888 0.030 1 328 27 27 VAL HG2 H 0.724 0.030 1 329 27 27 VAL C C 176.497 0.030 1 330 27 27 VAL CA C 67.103 0.030 1 331 27 27 VAL CB C 31.448 0.030 1 332 27 27 VAL CG1 C 24.639 0.030 2 333 27 27 VAL CG2 C 21.712 0.030 2 334 27 27 VAL N N 118.211 0.030 1 335 28 28 CYS H H 7.830 0.030 1 336 28 28 CYS HA H 4.430 0.030 1 337 28 28 CYS HB2 H 3.219 0.030 2 338 28 28 CYS HB3 H 3.173 0.030 2 339 28 28 CYS C C 177.499 0.030 1 340 28 28 CYS CA C 60.808 0.030 1 341 28 28 CYS CB C 43.980 0.030 1 342 28 28 CYS N N 118.370 0.030 1 343 29 29 LEU H H 8.741 0.030 1 344 29 29 LEU HA H 3.782 0.030 1 345 29 29 LEU HB2 H 2.028 0.030 2 346 29 29 LEU HB3 H 1.674 0.030 2 347 29 29 LEU HG H 1.322 0.030 1 348 29 29 LEU HD1 H 0.156 0.030 1 349 29 29 LEU HD2 H 0.262 0.030 1 350 29 29 LEU C C 177.665 0.030 1 351 29 29 LEU CA C 60.420 0.030 1 352 29 29 LEU CB C 43.222 0.030 1 353 29 29 LEU CG C 28.246 0.030 1 354 29 29 LEU CD1 C 28.366 0.030 2 355 29 29 LEU CD2 C 23.827 0.030 2 356 29 29 LEU N N 123.146 0.030 1 357 30 30 VAL H H 8.699 0.030 1 358 30 30 VAL HA H 3.339 0.030 1 359 30 30 VAL HB H 1.911 0.030 1 360 30 30 VAL HG1 H 0.625 0.030 1 361 30 30 VAL HG2 H 0.724 0.030 1 362 30 30 VAL C C 179.557 0.030 1 363 30 30 VAL CA C 67.185 0.030 1 364 30 30 VAL CB C 31.507 0.030 1 365 30 30 VAL CG1 C 23.422 0.030 2 366 30 30 VAL CG2 C 23.458 0.030 2 367 30 30 VAL N N 119.526 0.030 1 368 31 31 GLU H H 8.876 0.030 1 369 31 31 GLU HA H 3.530 0.030 1 370 31 31 GLU HB2 H 1.941 0.030 2 371 31 31 GLU HB3 H 1.628 0.030 2 372 31 31 GLU HG2 H 2.540 0.030 2 373 31 31 GLU HG3 H 1.997 0.030 2 374 31 31 GLU C C 178.669 0.030 1 375 31 31 GLU CA C 61.207 0.030 1 376 31 31 GLU CB C 28.531 0.030 1 377 31 31 GLU CG C 38.996 0.030 1 378 31 31 GLU N N 118.341 0.030 1 379 32 32 HIS H H 7.746 0.030 1 380 32 32 HIS HA H 4.400 0.030 1 381 32 32 HIS HB2 H 3.298 0.030 2 382 32 32 HIS HB3 H 2.800 0.030 2 383 32 32 HIS HD2 H 7.466 0.030 1 384 32 32 HIS HE1 H 8.713 0.030 1 385 32 32 HIS C C 174.374 0.030 1 386 32 32 HIS CA C 58.882 0.030 1 387 32 32 HIS CB C 27.441 0.030 1 388 32 32 HIS CD2 C 121.042 0.030 1 389 32 32 HIS CE1 C 137.828 0.030 1 390 32 32 HIS N N 112.550 0.030 1 391 33 33 GLU H H 8.226 0.030 1 392 33 33 GLU HA H 4.681 0.030 1 393 33 33 GLU HB2 H 2.056 0.030 1 394 33 33 GLU HB3 H 2.056 0.030 1 395 33 33 GLU HG2 H 2.848 0.030 2 396 33 33 GLU HG3 H 2.398 0.030 2 397 33 33 GLU C C 176.033 0.030 1 398 33 33 GLU CA C 57.839 0.030 1 399 33 33 GLU CB C 28.778 0.030 1 400 33 33 GLU CG C 35.123 0.030 1 401 33 33 GLU N N 117.786 0.030 1 402 34 34 SER H H 8.724 0.030 1 403 34 34 SER HA H 4.626 0.030 1 404 34 34 SER HB2 H 4.561 0.030 2 405 34 34 SER HB3 H 3.739 0.030 2 406 34 34 SER C C 176.121 0.030 1 407 34 34 SER CA C 57.697 0.030 1 408 34 34 SER CB C 67.198 0.030 1 409 34 34 SER N N 110.340 0.030 1 410 35 35 SER H H 7.761 0.030 1 411 35 35 SER HA H 4.307 0.030 1 412 35 35 SER HB2 H 4.086 0.030 1 413 35 35 SER HB3 H 4.086 0.030 1 414 35 35 SER C C 173.774 0.030 1 415 35 35 SER CA C 59.439 0.030 1 416 35 35 SER CB C 61.625 0.030 1 417 35 35 SER N N 116.174 0.030 1 418 36 36 ARG H H 7.123 0.030 1 419 36 36 ARG HA H 3.255 0.030 1 420 36 36 ARG HB2 H 2.862 0.030 2 421 36 36 ARG HB3 H 1.758 0.030 2 422 36 36 ARG HG2 H 1.383 0.030 2 423 36 36 ARG HG3 H 1.126 0.030 2 424 36 36 ARG HD2 H 3.521 0.030 2 425 36 36 ARG HD3 H 2.751 0.030 2 426 36 36 ARG HE H 8.076 0.030 1 427 36 36 ARG C C 172.328 0.030 1 428 36 36 ARG CA C 57.140 0.030 1 429 36 36 ARG CB C 29.355 0.030 1 430 36 36 ARG CG C 30.075 0.030 1 431 36 36 ARG CD C 42.396 0.030 1 432 36 36 ARG N N 104.400 0.030 1 433 36 36 ARG NE N 83.291 0.030 1 434 37 37 ASP H H 7.032 0.030 1 435 37 37 ASP HA H 5.273 0.030 1 436 37 37 ASP HB2 H 3.217 0.030 2 437 37 37 ASP HB3 H 2.513 0.030 2 438 37 37 ASP C C 176.703 0.030 1 439 37 37 ASP CA C 52.123 0.030 1 440 37 37 ASP CB C 41.839 0.030 1 441 37 37 ASP N N 118.630 0.030 1 442 38 38 THR H H 8.705 0.030 1 443 38 38 THR HA H 3.863 0.030 1 444 38 38 THR HB H 4.324 0.030 1 445 38 38 THR HG2 H 1.386 0.030 1 446 38 38 THR C C 175.179 0.030 1 447 38 38 THR CA C 64.522 0.030 1 448 38 38 THR CB C 69.647 0.030 1 449 38 38 THR CG2 C 23.360 0.030 1 450 38 38 THR N N 115.103 0.030 1 451 39 39 SER H H 8.278 0.030 1 452 39 39 SER HA H 4.650 0.030 1 453 39 39 SER HB2 H 4.128 0.030 2 454 39 39 SER HB3 H 3.770 0.030 2 455 39 39 SER C C 174.612 0.030 1 456 39 39 SER CA C 58.068 0.030 1 457 39 39 SER CB C 64.947 0.030 1 458 39 39 SER N N 111.825 0.030 1 459 40 40 LYS H H 6.718 0.030 1 460 40 40 LYS HA H 4.119 0.030 1 461 40 40 LYS HB2 H 1.740 0.030 2 462 40 40 LYS HB3 H 1.600 0.030 2 463 40 40 LYS HG2 H 1.348 0.030 2 464 40 40 LYS HG3 H 1.221 0.030 2 465 40 40 LYS HE2 H 2.880 0.030 2 466 40 40 LYS C C 176.376 0.030 1 467 40 40 LYS CA C 56.813 0.030 1 468 40 40 LYS CB C 32.939 0.030 1 469 40 40 LYS CG C 24.987 0.030 1 470 40 40 LYS CD C 29.025 0.030 1 471 40 40 LYS CE C 42.127 0.030 1 472 40 40 LYS N N 122.371 0.030 1 473 41 41 THR H H 8.587 0.030 1 474 41 41 THR HA H 5.267 0.030 1 475 41 41 THR HB H 3.819 0.030 1 476 41 41 THR HG2 H 0.989 0.030 1 477 41 41 THR C C 173.312 0.030 1 478 41 41 THR CA C 60.263 0.030 1 479 41 41 THR CB C 71.876 0.030 1 480 41 41 THR CG2 C 22.095 0.030 1 481 41 41 THR N N 119.491 0.030 1 482 42 42 ASN H H 8.326 0.030 1 483 42 42 ASN HA H 5.056 0.030 1 484 42 42 ASN HB2 H 2.787 0.030 2 485 42 42 ASN HB3 H 2.715 0.030 2 486 42 42 ASN HD21 H 7.665 0.030 2 487 42 42 ASN HD22 H 6.817 0.030 2 488 42 42 ASN C C 173.821 0.030 1 489 42 42 ASN CA C 52.577 0.030 1 490 42 42 ASN CB C 43.610 0.030 1 491 42 42 ASN N N 120.754 0.030 1 492 42 42 ASN ND2 N 114.687 0.030 1 493 43 43 THR H H 8.645 0.030 1 494 43 43 THR HA H 4.583 0.030 1 495 43 43 THR HB H 3.995 0.030 1 496 43 43 THR HG2 H 1.217 0.030 1 497 43 43 THR C C 173.708 0.030 1 498 43 43 THR CA C 62.372 0.030 1 499 43 43 THR CB C 69.632 0.030 1 500 43 43 THR CG2 C 21.531 0.030 1 501 43 43 THR N N 119.445 0.030 1 502 44 44 ASN H H 8.895 0.030 1 503 44 44 ASN HA H 4.896 0.030 1 504 44 44 ASN HB2 H 2.870 0.030 2 505 44 44 ASN HB3 H 2.699 0.030 2 506 44 44 ASN HD21 H 7.236 0.030 2 507 44 44 ASN HD22 H 7.152 0.030 2 508 44 44 ASN C C 176.950 0.030 1 509 44 44 ASN CA C 52.746 0.030 1 510 44 44 ASN CB C 40.602 0.030 1 511 44 44 ASN N N 124.634 0.030 1 512 44 44 ASN ND2 N 115.414 0.030 1 513 45 45 ARG H H 8.996 0.030 1 514 45 45 ARG HA H 4.078 0.030 1 515 45 45 ARG HB2 H 1.883 0.030 1 516 45 45 ARG HB3 H 1.883 0.030 1 517 45 45 ARG HG2 H 1.741 0.030 1 518 45 45 ARG HG3 H 1.741 0.030 1 519 45 45 ARG HD2 H 3.221 0.030 1 520 45 45 ARG HD3 H 3.221 0.030 1 521 45 45 ARG HE H 7.199 0.030 1 522 45 45 ARG C C 177.027 0.030 1 523 45 45 ARG CA C 58.910 0.030 1 524 45 45 ARG CB C 29.684 0.030 1 525 45 45 ARG CG C 27.212 0.030 1 526 45 45 ARG CD C 43.280 0.030 1 527 45 45 ARG N N 123.231 0.030 1 528 45 45 ARG NE N 84.528 0.030 1 529 46 46 ASN H H 8.132 0.030 1 530 46 46 ASN HA H 4.615 0.030 1 531 46 46 ASN HB2 H 3.351 0.030 2 532 46 46 ASN HB3 H 2.883 0.030 2 533 46 46 ASN HD21 H 7.879 0.030 2 534 46 46 ASN HD22 H 7.154 0.030 2 535 46 46 ASN C C 176.295 0.030 1 536 46 46 ASN CA C 52.534 0.030 1 537 46 46 ASN CB C 37.348 0.030 1 538 46 46 ASN N N 114.098 0.030 1 539 46 46 ASN ND2 N 112.222 0.030 1 540 47 47 GLY H H 8.121 0.030 1 541 47 47 GLY HA2 H 4.388 0.030 2 542 47 47 GLY HA3 H 3.641 0.030 2 543 47 47 GLY C C 174.890 0.030 1 544 47 47 GLY CA C 45.250 0.030 1 545 47 47 GLY N N 108.376 0.030 1 546 48 48 SER H H 7.984 0.030 1 547 48 48 SER HA H 4.650 0.030 1 548 48 48 SER HB2 H 4.404 0.030 2 549 48 48 SER HB3 H 3.906 0.030 2 550 48 48 SER C C 171.795 0.030 1 551 48 48 SER CA C 58.492 0.030 1 552 48 48 SER CB C 65.096 0.030 1 553 48 48 SER N N 116.863 0.030 1 554 49 49 LYS H H 9.046 0.030 1 555 49 49 LYS HA H 5.158 0.030 1 556 49 49 LYS HB2 H 1.676 0.030 2 557 49 49 LYS HB3 H 1.295 0.030 2 558 49 49 LYS HG2 H 1.299 0.030 2 559 49 49 LYS HG3 H 1.136 0.030 2 560 49 49 LYS HD2 H 1.583 0.030 2 561 49 49 LYS HD3 H 1.454 0.030 2 562 49 49 LYS HE2 H 2.864 0.030 2 563 49 49 LYS HE3 H 2.799 0.030 2 564 49 49 LYS C C 173.478 0.030 1 565 49 49 LYS CA C 55.116 0.030 1 566 49 49 LYS CB C 36.318 0.030 1 567 49 49 LYS CG C 25.658 0.030 1 568 49 49 LYS CD C 29.931 0.030 1 569 49 49 LYS CE C 42.292 0.030 1 570 49 49 LYS N N 121.692 0.030 1 571 50 50 ASP H H 8.519 0.030 1 572 50 50 ASP HA H 5.217 0.030 1 573 50 50 ASP HB2 H 2.549 0.030 2 574 50 50 ASP HB3 H 2.080 0.030 2 575 50 50 ASP C C 176.489 0.030 1 576 50 50 ASP CA C 51.721 0.030 1 577 50 50 ASP CB C 43.239 0.030 1 578 50 50 ASP N N 118.303 0.030 1 579 51 51 TYR H H 9.130 0.030 1 580 51 51 TYR HA H 4.774 0.030 1 581 51 51 TYR HB2 H 3.034 0.030 2 582 51 51 TYR HB3 H 2.696 0.030 2 583 51 51 TYR HD1 H 7.364 0.030 1 584 51 51 TYR HD2 H 7.364 0.030 1 585 51 51 TYR HE1 H 6.793 0.030 1 586 51 51 TYR HE2 H 6.793 0.030 1 587 51 51 TYR C C 178.552 0.030 1 588 51 51 TYR CA C 59.217 0.030 1 589 51 51 TYR CB C 41.794 0.030 1 590 51 51 TYR CD1 C 133.406 0.030 1 591 51 51 TYR CD2 C 133.406 0.030 1 592 51 51 TYR CE1 C 118.364 0.030 1 593 51 51 TYR CE2 C 118.364 0.030 1 594 51 51 TYR N N 117.625 0.030 1 595 52 52 GLY H H 9.024 0.030 1 596 52 52 GLY HA2 H 4.712 0.030 2 597 52 52 GLY HA3 H 4.324 0.030 2 598 52 52 GLY C C 176.679 0.030 1 599 52 52 GLY CA C 46.700 0.030 1 600 52 52 GLY N N 113.392 0.030 1 601 53 53 LEU H H 9.516 0.030 1 602 53 53 LEU HA H 3.953 0.030 1 603 53 53 LEU HB2 H 1.247 0.030 2 604 53 53 LEU HB3 H 1.009 0.030 2 605 53 53 LEU HG H 1.034 0.030 1 606 53 53 LEU HD1 H 0.551 0.030 1 607 53 53 LEU HD2 H 0.286 0.030 1 608 53 53 LEU C C 178.116 0.030 1 609 53 53 LEU CA C 56.123 0.030 1 610 53 53 LEU CB C 44.393 0.030 1 611 53 53 LEU CG C 25.591 0.030 1 612 53 53 LEU CD1 C 24.647 0.030 2 613 53 53 LEU CD2 C 24.476 0.030 2 614 53 53 LEU N N 123.415 0.030 1 615 54 54 PHE H H 8.743 0.030 1 616 54 54 PHE HA H 4.489 0.030 1 617 54 54 PHE HB2 H 3.568 0.030 2 618 54 54 PHE HB3 H 3.065 0.030 2 619 54 54 PHE HD1 H 7.071 0.030 1 620 54 54 PHE HD2 H 7.071 0.030 1 621 54 54 PHE HE1 H 6.720 0.030 1 622 54 54 PHE HE2 H 6.720 0.030 1 623 54 54 PHE HZ H 6.387 0.030 1 624 54 54 PHE C C 173.821 0.030 1 625 54 54 PHE CA C 56.230 0.030 1 626 54 54 PHE CB C 40.108 0.030 1 627 54 54 PHE CD1 C 132.189 0.030 1 628 54 54 PHE CD2 C 132.189 0.030 1 629 54 54 PHE CE1 C 130.248 0.030 1 630 54 54 PHE CE2 C 130.248 0.030 1 631 54 54 PHE CZ C 128.920 0.030 1 632 54 54 PHE N N 108.953 0.030 1 633 55 55 GLN H H 8.175 0.030 1 634 55 55 GLN HA H 3.536 0.030 1 635 55 55 GLN HB2 H 2.476 0.030 2 636 55 55 GLN HB3 H 2.243 0.030 2 637 55 55 GLN HG2 H 2.496 0.030 2 638 55 55 GLN HG3 H 2.069 0.030 2 639 55 55 GLN HE21 H 8.657 0.030 2 640 55 55 GLN HE22 H 5.370 0.030 2 641 55 55 GLN C C 173.230 0.030 1 642 55 55 GLN CA C 55.596 0.030 1 643 55 55 GLN CB C 27.213 0.030 1 644 55 55 GLN CG C 35.067 0.030 1 645 55 55 GLN N N 116.071 0.030 1 646 55 55 GLN NE2 N 115.705 0.030 1 647 56 56 ILE H H 7.556 0.030 1 648 56 56 ILE HA H 4.054 0.030 1 649 56 56 ILE HB H 1.809 0.030 1 650 56 56 ILE HG12 H 1.857 0.030 2 651 56 56 ILE HG13 H 1.071 0.030 2 652 56 56 ILE HG2 H 1.026 0.030 1 653 56 56 ILE HD1 H 1.059 0.030 1 654 56 56 ILE C C 177.086 0.030 1 655 56 56 ILE CA C 61.938 0.030 1 656 56 56 ILE CB C 40.226 0.030 1 657 56 56 ILE CG1 C 29.160 0.030 1 658 56 56 ILE CG2 C 19.303 0.030 1 659 56 56 ILE CD1 C 14.426 0.030 1 660 56 56 ILE N N 121.104 0.030 1 661 57 57 ASN H H 8.484 0.030 1 662 57 57 ASN HA H 6.211 0.030 1 663 57 57 ASN HB2 H 3.214 0.030 1 664 57 57 ASN HB3 H 3.214 0.030 1 665 57 57 ASN HD21 H 8.532 0.030 2 666 57 57 ASN HD22 H 7.338 0.030 2 667 57 57 ASN C C 176.583 0.030 1 668 57 57 ASN CA C 54.732 0.030 1 669 57 57 ASN CB C 43.280 0.030 1 670 57 57 ASN N N 127.242 0.030 1 671 57 57 ASN ND2 N 116.146 0.030 1 672 58 58 ASP H H 8.880 0.030 1 673 58 58 ASP HA H 5.220 0.030 1 674 58 58 ASP HB2 H 3.385 0.030 1 675 58 58 ASP HB3 H 3.385 0.030 1 676 58 58 ASP C C 176.691 0.030 1 677 58 58 ASP CA C 54.868 0.030 1 678 58 58 ASP CB C 42.813 0.030 1 679 58 58 ASP N N 121.382 0.030 1 680 59 59 ARG H H 8.527 0.030 1 681 59 59 ARG HA H 4.126 0.030 1 682 59 59 ARG HB2 H 1.570 0.030 2 683 59 59 ARG HB3 H 1.443 0.030 2 684 59 59 ARG HG2 H 1.135 0.030 2 685 59 59 ARG HG3 H 0.918 0.030 2 686 59 59 ARG HD2 H 2.997 0.030 1 687 59 59 ARG HD3 H 2.997 0.030 1 688 59 59 ARG HE H 7.091 0.030 1 689 59 59 ARG C C 178.180 0.030 1 690 59 59 ARG CA C 58.298 0.030 1 691 59 59 ARG CB C 29.755 0.030 1 692 59 59 ARG CG C 26.846 0.030 1 693 59 59 ARG CD C 43.198 0.030 1 694 59 59 ARG N N 120.463 0.030 1 695 59 59 ARG NE N 84.301 0.030 1 696 60 60 TYR H H 7.425 0.030 1 697 60 60 TYR HA H 4.666 0.030 1 698 60 60 TYR HB2 H 2.126 0.030 2 699 60 60 TYR HB3 H 1.434 0.030 2 700 60 60 TYR HD1 H 6.912 0.030 1 701 60 60 TYR HD2 H 6.912 0.030 1 702 60 60 TYR HE1 H 6.745 0.030 1 703 60 60 TYR HE2 H 6.745 0.030 1 704 60 60 TYR C C 177.957 0.030 1 705 60 60 TYR CA C 57.556 0.030 1 706 60 60 TYR CB C 40.169 0.030 1 707 60 60 TYR CD1 C 133.271 0.030 1 708 60 60 TYR CD2 C 133.271 0.030 1 709 60 60 TYR CE1 C 118.146 0.030 1 710 60 60 TYR CE2 C 118.146 0.030 1 711 60 60 TYR N N 110.381 0.030 1 712 61 61 TRP H H 7.152 0.030 1 713 61 61 TRP HA H 4.914 0.030 1 714 61 61 TRP HB2 H 3.475 0.030 2 715 61 61 TRP HB3 H 3.339 0.030 2 716 61 61 TRP HD1 H 7.801 0.030 1 717 61 61 TRP HE1 H 10.523 0.030 1 718 61 61 TRP HE3 H 7.832 0.030 1 719 61 61 TRP HZ2 H 7.252 0.030 1 720 61 61 TRP HZ3 H 6.836 0.030 1 721 61 61 TRP HH2 H 6.920 0.030 1 722 61 61 TRP C C 174.883 0.030 1 723 61 61 TRP CA C 59.934 0.030 1 724 61 61 TRP CB C 33.291 0.030 1 725 61 61 TRP CD1 C 129.502 0.030 1 726 61 61 TRP CE3 C 123.296 0.030 1 727 61 61 TRP CZ2 C 114.170 0.030 1 728 61 61 TRP CZ3 C 121.432 0.030 1 729 61 61 TRP CH2 C 123.618 0.030 1 730 61 61 TRP N N 115.834 0.030 1 731 61 61 TRP NE1 N 129.293 0.030 1 732 62 62 CYS H H 7.546 0.030 1 733 62 62 CYS HA H 5.409 0.030 1 734 62 62 CYS HB2 H 2.816 0.030 2 735 62 62 CYS HB3 H 2.465 0.030 2 736 62 62 CYS C C 170.972 0.030 1 737 62 62 CYS CA C 52.150 0.030 1 738 62 62 CYS CB C 47.071 0.030 1 739 62 62 CYS N N 111.761 0.030 1 740 63 63 SER H H 8.440 0.030 1 741 63 63 SER HA H 4.851 0.030 1 742 63 63 SER HB2 H 3.878 0.030 2 743 63 63 SER HB3 H 3.560 0.030 2 744 63 63 SER C C 175.743 0.030 1 745 63 63 SER CA C 55.929 0.030 1 746 63 63 SER CB C 65.260 0.030 1 747 63 63 SER N N 111.971 0.030 1 748 64 64 LYS H H 9.159 0.030 1 749 64 64 LYS HA H 4.309 0.030 1 750 64 64 LYS HB2 H 1.965 0.030 1 751 64 64 LYS HB3 H 1.965 0.030 1 752 64 64 LYS HG2 H 1.553 0.030 2 753 64 64 LYS HG3 H 1.439 0.030 2 754 64 64 LYS HD2 H 1.714 0.030 1 755 64 64 LYS HD3 H 1.714 0.030 1 756 64 64 LYS HE2 H 3.005 0.030 1 757 64 64 LYS HE3 H 3.005 0.030 1 758 64 64 LYS C C 175.877 0.030 1 759 64 64 LYS CA C 56.813 0.030 1 760 64 64 LYS CB C 32.362 0.030 1 761 64 64 LYS CG C 24.278 0.030 1 762 64 64 LYS CD C 29.437 0.030 1 763 64 64 LYS CE C 41.942 0.030 1 764 64 64 LYS N N 129.572 0.030 1 765 65 65 GLY H H 7.980 0.030 1 766 65 65 GLY HA2 H 4.292 0.030 2 767 65 65 GLY HA3 H 3.865 0.030 2 768 65 65 GLY C C 172.841 0.030 1 769 65 65 GLY CA C 44.419 0.030 1 770 65 65 GLY N N 109.819 0.030 1 771 66 66 ALA H H 8.198 0.030 1 772 66 66 ALA HA H 4.187 0.030 1 773 66 66 ALA HB H 1.414 0.030 1 774 66 66 ALA C C 177.607 0.030 1 775 66 66 ALA CA C 53.218 0.030 1 776 66 66 ALA CB C 19.541 0.030 1 777 66 66 ALA N N 119.806 0.030 1 778 67 67 SER H H 7.923 0.030 1 779 67 67 SER HA H 5.029 0.030 1 780 67 67 SER HB2 H 3.853 0.030 2 781 67 67 SER HB3 H 3.692 0.030 2 782 67 67 SER C C 171.132 0.030 1 783 67 67 SER CA C 55.348 0.030 1 784 67 67 SER CB C 64.013 0.030 1 785 67 67 SER N N 112.830 0.030 1 786 68 68 PRO HA H 3.821 0.030 1 787 68 68 PRO HB2 H 1.700 0.030 2 788 68 68 PRO HB3 H 1.957 0.030 2 789 68 68 PRO HG2 H 2.040 0.030 1 790 68 68 PRO HG3 H 2.040 0.030 1 791 68 68 PRO HD2 H 3.799 0.030 2 792 68 68 PRO HD3 H 3.709 0.030 2 793 68 68 PRO C C 174.882 0.030 1 794 68 68 PRO CA C 63.107 0.030 1 795 68 68 PRO CB C 31.909 0.030 1 796 68 68 PRO CG C 27.295 0.030 1 797 68 68 PRO CD C 50.604 0.030 1 798 69 69 GLY H H 6.641 0.030 1 799 69 69 GLY HA2 H 4.206 0.030 2 800 69 69 GLY HA3 H 4.038 0.030 2 801 69 69 GLY C C 171.387 0.030 1 802 69 69 GLY CA C 45.798 0.030 1 803 69 69 GLY N N 106.417 0.030 1 804 70 70 LYS H H 8.409 0.030 1 805 70 70 LYS HA H 3.918 0.030 1 806 70 70 LYS HB2 H 1.824 0.030 2 807 70 70 LYS HB3 H 1.311 0.030 2 808 70 70 LYS HG2 H 1.276 0.030 2 809 70 70 LYS HG3 H 1.155 0.030 2 810 70 70 LYS HD2 H 1.412 0.030 1 811 70 70 LYS HD3 H 1.412 0.030 1 812 70 70 LYS HE2 H 3.001 0.030 2 813 70 70 LYS HE3 H 2.919 0.030 2 814 70 70 LYS C C 178.749 0.030 1 815 70 70 LYS CA C 57.821 0.030 1 816 70 70 LYS CB C 29.882 0.030 1 817 70 70 LYS CG C 25.647 0.030 1 818 70 70 LYS CD C 28.778 0.030 1 819 70 70 LYS CE C 42.786 0.030 1 820 70 70 LYS N N 109.842 0.030 1 821 71 71 ASP H H 8.065 0.030 1 822 71 71 ASP HA H 4.473 0.030 1 823 71 71 ASP HB2 H 2.697 0.030 2 824 71 71 ASP HB3 H 2.607 0.030 2 825 71 71 ASP C C 178.367 0.030 1 826 71 71 ASP CA C 58.705 0.030 1 827 71 71 ASP CB C 40.324 0.030 1 828 71 71 ASP N N 117.727 0.030 1 829 72 72 CYS H H 9.153 0.030 1 830 72 72 CYS HA H 4.592 0.030 1 831 72 72 CYS HB2 H 3.680 0.030 1 832 72 72 CYS HB3 H 3.680 0.030 1 833 72 72 CYS C C 173.884 0.030 1 834 72 72 CYS CA C 55.699 0.030 1 835 72 72 CYS CB C 40.437 0.030 1 836 72 72 CYS N N 112.748 0.030 1 837 73 73 ASN H H 8.148 0.030 1 838 73 73 ASN HA H 3.922 0.030 1 839 73 73 ASN HB2 H 3.195 0.030 2 840 73 73 ASN HB3 H 2.410 0.030 2 841 73 73 ASN HD21 H 7.374 0.030 2 842 73 73 ASN HD22 H 6.583 0.030 2 843 73 73 ASN C C 173.285 0.030 1 844 73 73 ASN CA C 53.681 0.030 1 845 73 73 ASN CB C 36.704 0.030 1 846 73 73 ASN N N 120.769 0.030 1 847 73 73 ASN ND2 N 109.719 0.030 1 848 74 74 VAL H H 7.985 0.030 1 849 74 74 VAL HA H 4.727 0.030 1 850 74 74 VAL HB H 2.065 0.030 1 851 74 74 VAL HG1 H 0.815 0.030 1 852 74 74 VAL HG2 H 1.129 0.030 1 853 74 74 VAL C C 174.650 0.030 1 854 74 74 VAL CA C 59.182 0.030 1 855 74 74 VAL CB C 36.647 0.030 1 856 74 74 VAL CG1 C 21.697 0.030 2 857 74 74 VAL CG2 C 21.911 0.030 2 858 74 74 VAL N N 113.550 0.030 1 859 75 75 LYS H H 9.278 0.030 1 860 75 75 LYS HA H 4.851 0.030 1 861 75 75 LYS HB2 H 1.972 0.030 2 862 75 75 LYS HB3 H 1.518 0.030 2 863 75 75 LYS HG2 H 1.229 0.030 2 864 75 75 LYS HG3 H 1.144 0.030 2 865 75 75 LYS HD2 H 1.987 0.030 2 866 75 75 LYS HD3 H 1.584 0.030 2 867 75 75 LYS HE3 H 2.859 0.030 2 868 75 75 LYS C C 178.523 0.030 1 869 75 75 LYS CA C 56.141 0.030 1 870 75 75 LYS CB C 32.527 0.030 1 871 75 75 LYS CG C 24.987 0.030 1 872 75 75 LYS CD C 29.272 0.030 1 873 75 75 LYS CE C 41.818 0.030 1 874 75 75 LYS N N 128.255 0.030 1 875 76 76 CYS H H 9.317 0.030 1 876 76 76 CYS HA H 3.817 0.030 1 877 76 76 CYS HB2 H 2.036 0.030 2 878 76 76 CYS HB3 H 1.044 0.030 2 879 76 76 CYS C C 176.808 0.030 1 880 76 76 CYS CA C 57.347 0.030 1 881 76 76 CYS CB C 37.718 0.030 1 882 76 76 CYS N N 124.833 0.030 1 883 77 77 SER H H 8.595 0.030 1 884 77 77 SER HA H 3.961 0.030 1 885 77 77 SER HB2 H 3.932 0.030 2 886 77 77 SER HB3 H 3.819 0.030 2 887 77 77 SER C C 177.491 0.030 1 888 77 77 SER CA C 61.551 0.030 1 889 77 77 SER CB C 61.614 0.030 1 890 77 77 SER N N 112.906 0.030 1 891 78 78 ASP H H 7.398 0.030 1 892 78 78 ASP HA H 4.820 0.030 1 893 78 78 ASP HB2 H 2.981 0.030 2 894 78 78 ASP HB3 H 2.842 0.030 2 895 78 78 ASP C C 175.761 0.030 1 896 78 78 ASP CA C 56.106 0.030 1 897 78 78 ASP CB C 40.913 0.030 1 898 78 78 ASP N N 122.042 0.030 1 899 79 79 LEU H H 7.973 0.030 1 900 79 79 LEU HA H 4.494 0.030 1 901 79 79 LEU HB2 H 2.214 0.030 2 902 79 79 LEU HB3 H 1.808 0.030 2 903 79 79 LEU HG H 1.824 0.030 1 904 79 79 LEU HD1 H 0.989 0.030 1 905 79 79 LEU HD2 H 0.714 0.030 1 906 79 79 LEU C C 175.528 0.030 1 907 79 79 LEU CA C 53.793 0.030 1 908 79 79 LEU CB C 40.333 0.030 1 909 79 79 LEU CG C 26.183 0.030 1 910 79 79 LEU CD1 C 26.286 0.030 2 911 79 79 LEU CD2 C 22.371 0.030 2 912 79 79 LEU N N 117.454 0.030 1 913 80 80 LEU H H 6.900 0.030 1 914 80 80 LEU HA H 5.508 0.030 1 915 80 80 LEU HB2 H 1.851 0.030 2 916 80 80 LEU HB3 H 1.756 0.030 2 917 80 80 LEU HG H 1.760 0.030 1 918 80 80 LEU HD1 H 1.046 0.030 1 919 80 80 LEU HD2 H 1.014 0.030 1 920 80 80 LEU C C 177.811 0.030 1 921 80 80 LEU CA C 53.464 0.030 1 922 80 80 LEU CB C 43.852 0.030 1 923 80 80 LEU CG C 26.323 0.030 1 924 80 80 LEU CD1 C 25.819 0.030 2 925 80 80 LEU CD2 C 23.999 0.030 2 926 80 80 LEU N N 116.470 0.030 1 927 81 81 THR H H 7.198 0.030 1 928 81 81 THR HA H 4.404 0.030 1 929 81 81 THR HB H 4.680 0.030 1 930 81 81 THR HG2 H 1.372 0.030 1 931 81 81 THR C C 174.513 0.030 1 932 81 81 THR CA C 60.986 0.030 1 933 81 81 THR CB C 70.350 0.030 1 934 81 81 THR CG2 C 21.577 0.030 1 935 81 81 THR N N 109.395 0.030 1 936 82 82 ASP H H 8.591 0.030 1 937 82 82 ASP HA H 4.201 0.030 1 938 82 82 ASP HB2 H 2.704 0.030 2 939 82 82 ASP HB3 H 2.566 0.030 2 940 82 82 ASP C C 176.110 0.030 1 941 82 82 ASP CA C 56.462 0.030 1 942 82 82 ASP CB C 39.325 0.030 1 943 82 82 ASP N N 119.577 0.030 1 944 83 83 ASP H H 7.658 0.030 1 945 83 83 ASP HA H 4.835 0.030 1 946 83 83 ASP HB2 H 2.880 0.030 2 947 83 83 ASP HB3 H 2.671 0.030 2 948 83 83 ASP C C 178.336 0.030 1 949 83 83 ASP CA C 53.206 0.030 1 950 83 83 ASP CB C 41.756 0.030 1 951 83 83 ASP N N 114.416 0.030 1 952 84 84 ILE H H 8.667 0.030 1 953 84 84 ILE HA H 4.821 0.030 1 954 84 84 ILE HB H 2.126 0.030 1 955 84 84 ILE HG12 H 1.083 0.030 2 956 84 84 ILE HG13 H 0.339 0.030 2 957 84 84 ILE HG2 H 1.079 0.030 1 958 84 84 ILE HD1 H 0.414 0.030 1 959 84 84 ILE C C 175.550 0.030 1 960 84 84 ILE CA C 61.445 0.030 1 961 84 84 ILE CB C 39.127 0.030 1 962 84 84 ILE CG1 C 25.660 0.030 1 963 84 84 ILE CG2 C 17.188 0.030 1 964 84 84 ILE CD1 C 15.574 0.030 1 965 84 84 ILE N N 120.600 0.030 1 966 85 85 THR H H 8.529 0.030 1 967 85 85 THR HA H 4.241 0.030 1 968 85 85 THR HB H 3.468 0.030 1 969 85 85 THR HG2 H 1.314 0.030 1 970 85 85 THR C C 176.606 0.030 1 971 85 85 THR CA C 68.115 0.030 1 972 85 85 THR CB C 68.950 0.030 1 973 85 85 THR CG2 C 21.185 0.030 1 974 85 85 THR N N 120.427 0.030 1 975 86 86 LYS H H 9.027 0.030 1 976 86 86 LYS HA H 3.980 0.030 1 977 86 86 LYS HB2 H 1.814 0.030 2 978 86 86 LYS HB3 H 1.651 0.030 2 979 86 86 LYS HG2 H 1.664 0.030 2 980 86 86 LYS HG3 H 1.506 0.030 2 981 86 86 LYS HD2 H 1.717 0.030 1 982 86 86 LYS HD3 H 1.717 0.030 1 983 86 86 LYS HE2 H 3.060 0.030 2 984 86 86 LYS C C 179.490 0.030 1 985 86 86 LYS CA C 61.038 0.030 1 986 86 86 LYS CB C 32.445 0.030 1 987 86 86 LYS CG C 27.214 0.030 1 988 86 86 LYS CD C 30.343 0.030 1 989 86 86 LYS CE C 42.292 0.030 1 990 86 86 LYS N N 120.363 0.030 1 991 87 87 ALA H H 8.382 0.030 1 992 87 87 ALA HA H 3.994 0.030 1 993 87 87 ALA HB H 1.765 0.030 1 994 87 87 ALA C C 178.067 0.030 1 995 87 87 ALA CA C 55.537 0.030 1 996 87 87 ALA CB C 18.273 0.030 1 997 87 87 ALA N N 123.562 0.030 1 998 88 88 ALA H H 9.335 0.030 1 999 88 88 ALA HA H 3.695 0.030 1 1000 88 88 ALA HB H 1.433 0.030 1 1001 88 88 ALA C C 178.451 0.030 1 1002 88 88 ALA CA C 55.075 0.030 1 1003 88 88 ALA CB C 18.312 0.030 1 1004 88 88 ALA N N 119.803 0.030 1 1005 89 89 LYS H H 7.822 0.030 1 1006 89 89 LYS HA H 3.872 0.030 1 1007 89 89 LYS HB2 H 1.945 0.030 1 1008 89 89 LYS HB3 H 1.945 0.030 1 1009 89 89 LYS HG2 H 1.676 0.030 2 1010 89 89 LYS HG3 H 1.458 0.030 2 1011 89 89 LYS HE2 H 3.001 0.030 2 1012 89 89 LYS HE3 H 2.907 0.030 2 1013 89 89 LYS C C 179.596 0.030 1 1014 89 89 LYS CA C 59.925 0.030 1 1015 89 89 LYS CB C 32.650 0.030 1 1016 89 89 LYS CG C 25.670 0.030 1 1017 89 89 LYS CD C 29.767 0.030 1 1018 89 89 LYS CE C 42.462 0.030 1 1019 89 89 LYS N N 116.905 0.030 1 1020 90 90 CYS H H 7.638 0.030 1 1021 90 90 CYS HA H 4.866 0.030 1 1022 90 90 CYS HB2 H 3.437 0.030 2 1023 90 90 CYS HB3 H 2.861 0.030 2 1024 90 90 CYS C C 175.319 0.030 1 1025 90 90 CYS CA C 56.247 0.030 1 1026 90 90 CYS CB C 33.991 0.030 1 1027 90 90 CYS N N 117.061 0.030 1 1028 91 91 ALA H H 8.846 0.030 1 1029 91 91 ALA HA H 3.942 0.030 1 1030 91 91 ALA HB H 0.706 0.030 1 1031 91 91 ALA C C 179.717 0.030 1 1032 91 91 ALA CA C 55.840 0.030 1 1033 91 91 ALA CB C 16.585 0.030 1 1034 91 91 ALA N N 122.093 0.030 1 1035 92 92 LYS H H 7.896 0.030 1 1036 92 92 LYS HA H 3.887 0.030 1 1037 92 92 LYS HB2 H 1.719 0.030 1 1038 92 92 LYS HB3 H 1.719 0.030 1 1039 92 92 LYS HG2 H 1.149 0.030 2 1040 92 92 LYS HG3 H 0.790 0.030 2 1041 92 92 LYS HD2 H 1.135 0.030 1 1042 92 92 LYS HD3 H 1.135 0.030 1 1043 92 92 LYS HE2 H 2.023 0.030 2 1044 92 92 LYS HE3 H 1.951 0.030 2 1045 92 92 LYS C C 179.155 0.030 1 1046 92 92 LYS CA C 60.283 0.030 1 1047 92 92 LYS CB C 32.424 0.030 1 1048 92 92 LYS CG C 25.983 0.030 1 1049 92 92 LYS CD C 29.246 0.030 1 1050 92 92 LYS CE C 41.293 0.030 1 1051 92 92 LYS N N 115.119 0.030 1 1052 93 93 LYS H H 7.526 0.030 1 1053 93 93 LYS HA H 4.071 0.030 1 1054 93 93 LYS HB2 H 2.201 0.030 2 1055 93 93 LYS HB3 H 2.111 0.030 2 1056 93 93 LYS HG2 H 1.672 0.030 2 1057 93 93 LYS HG3 H 1.486 0.030 2 1058 93 93 LYS HD2 H 1.908 0.030 2 1059 93 93 LYS HD3 H 2.221 0.030 2 1060 93 93 LYS HE2 H 3.116 0.030 2 1061 93 93 LYS HE3 H 3.026 0.030 2 1062 93 93 LYS C C 178.927 0.030 1 1063 93 93 LYS CA C 60.179 0.030 1 1064 93 93 LYS CB C 32.156 0.030 1 1065 93 93 LYS CG C 25.703 0.030 1 1066 93 93 LYS CD C 29.632 0.030 1 1067 93 93 LYS CE C 42.292 0.030 1 1068 93 93 LYS N N 123.159 0.030 1 1069 94 94 ILE H H 8.115 0.030 1 1070 94 94 ILE HA H 2.971 0.030 1 1071 94 94 ILE HB H 1.653 0.030 1 1072 94 94 ILE HG12 H 0.821 0.030 2 1073 94 94 ILE HG13 H -2.074 0.030 2 1074 94 94 ILE HG2 H -0.232 0.030 1 1075 94 94 ILE HD1 H -0.165 0.030 1 1076 94 94 ILE C C 178.840 0.030 1 1077 94 94 ILE CA C 65.848 0.030 1 1078 94 94 ILE CB C 36.866 0.030 1 1079 94 94 ILE CG1 C 25.783 0.030 1 1080 94 94 ILE CG2 C 17.075 0.030 1 1081 94 94 ILE CD1 C 14.488 0.030 1 1082 94 94 ILE N N 121.148 0.030 1 1083 95 95 TYR H H 8.634 0.030 1 1084 95 95 TYR HA H 4.217 0.030 1 1085 95 95 TYR HB2 H 3.211 0.030 1 1086 95 95 TYR HB3 H 3.211 0.030 1 1087 95 95 TYR HD1 H 6.330 0.030 1 1088 95 95 TYR HD2 H 6.330 0.030 1 1089 95 95 TYR C C 178.525 0.030 1 1090 95 95 TYR CA C 60.798 0.030 1 1091 95 95 TYR CB C 39.074 0.030 1 1092 95 95 TYR CD1 C 131.507 0.030 1 1093 95 95 TYR CD2 C 131.507 0.030 1 1094 95 95 TYR CE1 C 119.696 0.030 1 1095 95 95 TYR CE2 C 119.696 0.030 1 1096 95 95 TYR N N 120.846 0.030 1 1097 96 96 LYS H H 8.225 0.030 1 1098 96 96 LYS HA H 3.859 0.030 1 1099 96 96 LYS HB2 H 2.026 0.030 2 1100 96 96 LYS HB3 H 1.926 0.030 2 1101 96 96 LYS HG2 H 1.610 0.030 2 1102 96 96 LYS HG3 H 1.496 0.030 2 1103 96 96 LYS HD2 H 1.731 0.030 2 1104 96 96 LYS HE2 H 3.010 0.030 2 1105 96 96 LYS C C 177.608 0.030 1 1106 96 96 LYS CA C 59.376 0.030 1 1107 96 96 LYS CB C 32.156 0.030 1 1108 96 96 LYS CG C 25.317 0.030 1 1109 96 96 LYS CD C 29.519 0.030 1 1110 96 96 LYS CE C 42.209 0.030 1 1111 96 96 LYS N N 120.876 0.030 1 1112 97 97 ARG H H 7.251 0.030 1 1113 97 97 ARG HA H 4.157 0.030 1 1114 97 97 ARG HB2 H 1.738 0.030 2 1115 97 97 ARG HB3 H 1.408 0.030 2 1116 97 97 ARG HG2 H 1.516 0.030 2 1117 97 97 ARG HG3 H 1.448 0.030 2 1118 97 97 ARG HD2 H 3.206 0.030 2 1119 97 97 ARG HD3 H 3.141 0.030 2 1120 97 97 ARG HE H 7.376 0.030 1 1121 97 97 ARG C C 177.665 0.030 1 1122 97 97 ARG CA C 57.325 0.030 1 1123 97 97 ARG CB C 31.744 0.030 1 1124 97 97 ARG CG C 27.035 0.030 1 1125 97 97 ARG CD C 43.198 0.030 1 1126 97 97 ARG N N 114.541 0.030 1 1127 97 97 ARG NE N 84.202 0.030 1 1128 98 98 HIS H H 8.472 0.030 1 1129 98 98 HIS HA H 4.835 0.030 1 1130 98 98 HIS HB2 H 3.289 0.030 2 1131 98 98 HIS HB3 H 2.615 0.030 2 1132 98 98 HIS HD2 H 7.011 0.030 1 1133 98 98 HIS HE1 H 8.644 0.030 1 1134 98 98 HIS C C 173.608 0.030 1 1135 98 98 HIS CA C 54.938 0.030 1 1136 98 98 HIS CB C 31.560 0.030 1 1137 98 98 HIS CD2 C 119.474 0.030 1 1138 98 98 HIS CE1 C 137.890 0.030 1 1139 98 98 HIS N N 114.184 0.030 1 1140 99 99 ARG H H 8.548 0.030 1 1141 99 99 ARG HA H 2.421 0.030 1 1142 99 99 ARG HB2 H 1.328 0.030 2 1143 99 99 ARG HB3 H 1.072 0.030 2 1144 99 99 ARG HG2 H 2.038 0.030 2 1145 99 99 ARG HG3 H 1.334 0.030 2 1146 99 99 ARG HD2 H 2.860 0.030 2 1147 99 99 ARG HD3 H 2.804 0.030 2 1148 99 99 ARG HE H 6.980 0.030 1 1149 99 99 ARG C C 174.799 0.030 1 1150 99 99 ARG CA C 57.001 0.030 1 1151 99 99 ARG CB C 27.568 0.030 1 1152 99 99 ARG CG C 27.128 0.030 1 1153 99 99 ARG CD C 42.786 0.030 1 1154 99 99 ARG N N 118.465 0.030 1 1155 99 99 ARG NE N 84.852 0.030 1 1156 100 100 PHE H H 7.283 0.030 1 1157 100 100 PHE HA H 4.620 0.030 1 1158 100 100 PHE HB2 H 1.503 0.030 2 1159 100 100 PHE HB3 H 0.396 0.030 2 1160 100 100 PHE HD1 H 6.294 0.030 1 1161 100 100 PHE HD2 H 6.294 0.030 1 1162 100 100 PHE HE1 H 5.520 0.030 1 1163 100 100 PHE HE2 H 5.520 0.030 1 1164 100 100 PHE HZ H 5.879 0.030 1 1165 100 100 PHE C C 176.376 0.030 1 1166 100 100 PHE CA C 59.058 0.030 1 1167 100 100 PHE CB C 35.715 0.030 1 1168 100 100 PHE CD1 C 130.418 0.030 1 1169 100 100 PHE CD2 C 130.418 0.030 1 1170 100 100 PHE CE1 C 130.398 0.030 1 1171 100 100 PHE CE2 C 130.398 0.030 1 1172 100 100 PHE CZ C 128.709 0.030 1 1173 100 100 PHE N N 117.030 0.030 1 1174 101 101 ASP H H 7.604 0.030 1 1175 101 101 ASP HA H 4.368 0.030 1 1176 101 101 ASP HB2 H 2.818 0.030 1 1177 101 101 ASP HB3 H 2.818 0.030 1 1178 101 101 ASP C C 175.286 0.030 1 1179 101 101 ASP CA C 56.494 0.030 1 1180 101 101 ASP CB C 40.479 0.030 1 1181 101 101 ASP N N 114.789 0.030 1 1182 102 102 ALA H H 6.843 0.030 1 1183 102 102 ALA HA H 3.989 0.030 1 1184 102 102 ALA HB H 0.641 0.030 1 1185 102 102 ALA C C 176.934 0.030 1 1186 102 102 ALA CA C 52.870 0.030 1 1187 102 102 ALA CB C 18.412 0.030 1 1188 102 102 ALA N N 117.191 0.030 1 1189 103 103 TRP H H 8.335 0.030 1 1190 103 103 TRP HA H 4.913 0.030 1 1191 103 103 TRP HB2 H 3.541 0.030 2 1192 103 103 TRP HB3 H 3.376 0.030 2 1193 103 103 TRP HD1 H 7.175 0.030 1 1194 103 103 TRP HE1 H 10.945 0.030 1 1195 103 103 TRP HE3 H 7.803 0.030 1 1196 103 103 TRP HZ2 H 7.106 0.030 1 1197 103 103 TRP HZ3 H 7.155 0.030 1 1198 103 103 TRP HH2 H 7.730 0.030 1 1199 103 103 TRP C C 176.619 0.030 1 1200 103 103 TRP CA C 59.924 0.030 1 1201 103 103 TRP CB C 29.516 0.030 1 1202 103 103 TRP CD1 C 126.992 0.030 1 1203 103 103 TRP CE3 C 122.494 0.030 1 1204 103 103 TRP CZ2 C 112.173 0.030 1 1205 103 103 TRP CZ3 C 122.424 0.030 1 1206 103 103 TRP CH2 C 125.171 0.030 1 1207 103 103 TRP N N 119.287 0.030 1 1208 103 103 TRP NE1 N 130.876 0.030 1 1209 104 104 TYR H H 9.322 0.030 1 1210 104 104 TYR HA H 4.272 0.030 1 1211 104 104 TYR HB2 H 3.318 0.030 2 1212 104 104 TYR HB3 H 3.190 0.030 2 1213 104 104 TYR HD1 H 7.261 0.030 1 1214 104 104 TYR HD2 H 7.261 0.030 1 1215 104 104 TYR HE1 H 6.926 0.030 1 1216 104 104 TYR HE2 H 6.926 0.030 1 1217 104 104 TYR C C 177.866 0.030 1 1218 104 104 TYR CA C 61.622 0.030 1 1219 104 104 TYR CB C 38.095 0.030 1 1220 104 104 TYR CD1 C 133.268 0.030 1 1221 104 104 TYR CD2 C 133.268 0.030 1 1222 104 104 TYR CE1 C 118.425 0.030 1 1223 104 104 TYR CE2 C 118.425 0.030 1 1224 104 104 TYR N N 129.009 0.030 1 1225 105 105 GLY H H 8.942 0.030 1 1226 105 105 GLY HA2 H 4.069 0.030 2 1227 105 105 GLY HA3 H 3.824 0.030 2 1228 105 105 GLY C C 176.313 0.030 1 1229 105 105 GLY CA C 47.354 0.030 1 1230 105 105 GLY N N 106.647 0.030 1 1231 106 106 TRP H H 7.272 0.030 1 1232 106 106 TRP HA H 3.865 0.030 1 1233 106 106 TRP HB2 H 3.955 0.030 2 1234 106 106 TRP HB3 H 2.815 0.030 2 1235 106 106 TRP HD1 H 6.645 0.030 1 1236 106 106 TRP HE1 H 10.222 0.030 1 1237 106 106 TRP HE3 H 7.280 0.030 1 1238 106 106 TRP HZ2 H 7.468 0.030 1 1239 106 106 TRP HZ3 H 7.102 0.030 1 1240 106 106 TRP HH2 H 7.350 0.030 1 1241 106 106 TRP C C 178.434 0.030 1 1242 106 106 TRP CA C 61.083 0.030 1 1243 106 106 TRP CB C 29.243 0.030 1 1244 106 106 TRP CD1 C 125.947 0.030 1 1245 106 106 TRP CE3 C 121.626 0.030 1 1246 106 106 TRP CZ2 C 115.712 0.030 1 1247 106 106 TRP CZ3 C 121.550 0.030 1 1248 106 106 TRP CH2 C 124.620 0.030 1 1249 106 106 TRP N N 119.235 0.030 1 1250 106 106 TRP NE1 N 131.582 0.030 1 1251 107 107 LYS H H 8.290 0.030 1 1252 107 107 LYS HA H 3.434 0.030 1 1253 107 107 LYS HB2 H 1.926 0.030 1 1254 107 107 LYS HB3 H 1.926 0.030 1 1255 107 107 LYS HG2 H 1.747 0.030 2 1256 107 107 LYS HG3 H 1.624 0.030 2 1257 107 107 LYS HD2 H 1.919 0.030 2 1258 107 107 LYS HE2 H 3.000 0.030 1 1259 107 107 LYS HE3 H 3.000 0.030 1 1260 107 107 LYS C C 177.552 0.030 1 1261 107 107 LYS CA C 59.536 0.030 1 1262 107 107 LYS CB C 32.280 0.030 1 1263 107 107 LYS CG C 24.977 0.030 1 1264 107 107 LYS CD C 29.272 0.030 1 1265 107 107 LYS CE C 41.749 0.030 1 1266 107 107 LYS N N 121.497 0.030 1 1267 108 108 ASN H H 7.870 0.030 1 1268 108 108 ASN HA H 4.367 0.030 1 1269 108 108 ASN HB2 H 2.168 0.030 2 1270 108 108 ASN HB3 H 2.061 0.030 2 1271 108 108 ASN HD21 H 6.983 0.030 2 1272 108 108 ASN HD22 H 6.582 0.030 2 1273 108 108 ASN C C 176.369 0.030 1 1274 108 108 ASN CA C 54.232 0.030 1 1275 108 108 ASN CB C 39.466 0.030 1 1276 108 108 ASN N N 110.611 0.030 1 1277 108 108 ASN ND2 N 111.892 0.030 1 1278 109 109 HIS H H 6.994 0.030 1 1279 109 109 HIS HA H 4.851 0.030 1 1280 109 109 HIS HB2 H 2.390 0.030 2 1281 109 109 HIS HB3 H 2.221 0.030 2 1282 109 109 HIS HD2 H 7.431 0.030 1 1283 109 109 HIS HE1 H 8.729 0.030 1 1284 109 109 HIS C C 175.341 0.030 1 1285 109 109 HIS CA C 55.787 0.030 1 1286 109 109 HIS CB C 29.702 0.030 1 1287 109 109 HIS CD2 C 120.569 0.030 1 1288 109 109 HIS CE1 C 137.142 0.030 1 1289 109 109 HIS N N 110.936 0.030 1 1290 110 110 CYS H H 7.463 0.030 1 1291 110 110 CYS HA H 4.804 0.030 1 1292 110 110 CYS HB2 H 2.887 0.030 2 1293 110 110 CYS HB3 H 1.837 0.030 2 1294 110 110 CYS C C 172.869 0.030 1 1295 110 110 CYS CA C 53.719 0.030 1 1296 110 110 CYS CB C 41.792 0.030 1 1297 110 110 CYS N N 115.547 0.030 1 1298 111 111 GLN H H 8.201 0.030 1 1299 111 111 GLN HA H 3.945 0.030 1 1300 111 111 GLN HB2 H 2.081 0.030 2 1301 111 111 GLN HB3 H 1.664 0.030 2 1302 111 111 GLN HG2 H 1.991 0.030 2 1303 111 111 GLN HG3 H 1.567 0.030 2 1304 111 111 GLN HE21 H 6.201 0.030 2 1305 111 111 GLN HE22 H 4.450 0.030 2 1306 111 111 GLN C C 175.732 0.030 1 1307 111 111 GLN CA C 54.661 0.030 1 1308 111 111 GLN CB C 28.105 0.030 1 1309 111 111 GLN CG C 34.216 0.030 1 1310 111 111 GLN N N 116.278 0.030 1 1311 111 111 GLN NE2 N 113.315 0.030 1 1312 112 112 GLY H H 7.955 0.030 1 1313 112 112 GLY HA2 H 4.154 0.030 2 1314 112 112 GLY HA3 H 3.572 0.030 2 1315 112 112 GLY C C 173.370 0.030 1 1316 112 112 GLY CA C 44.608 0.030 1 1317 112 112 GLY N N 110.591 0.030 1 1318 113 113 SER H H 8.232 0.030 1 1319 113 113 SER HA H 4.261 0.030 1 1320 113 113 SER HB2 H 3.809 0.030 2 1321 113 113 SER HB3 H 3.749 0.030 2 1322 113 113 SER C C 174.290 0.030 1 1323 113 113 SER CA C 58.705 0.030 1 1324 113 113 SER CB C 63.215 0.030 1 1325 113 113 SER N N 119.142 0.030 1 1326 114 114 LEU H H 8.489 0.030 1 1327 114 114 LEU HA H 4.686 0.030 1 1328 114 114 LEU HB2 H 1.551 0.030 2 1329 114 114 LEU HB3 H 1.175 0.030 2 1330 114 114 LEU HG H 1.673 0.030 1 1331 114 114 LEU HD1 H 0.783 0.030 1 1332 114 114 LEU HD2 H 0.825 0.030 1 1333 114 114 LEU C C 179.896 0.030 1 1334 114 114 LEU CA C 53.277 0.030 1 1335 114 114 LEU CB C 42.918 0.030 1 1336 114 114 LEU CG C 26.458 0.030 1 1337 114 114 LEU CD1 C 26.276 0.030 2 1338 114 114 LEU CD2 C 22.773 0.030 2 1339 114 114 LEU N N 124.431 0.030 1 1340 115 115 PRO HA H 4.267 0.030 1 1341 115 115 PRO HB2 H 1.432 0.030 2 1342 115 115 PRO HB3 H 2.088 0.030 2 1343 115 115 PRO HG2 H 1.911 0.030 2 1344 115 115 PRO HG3 H 1.810 0.030 2 1345 115 115 PRO HD2 H 3.662 0.030 2 1346 115 115 PRO HD3 H 3.545 0.030 2 1347 115 115 PRO C C 175.534 0.030 1 1348 115 115 PRO CA C 63.001 0.030 1 1349 115 115 PRO CB C 31.909 0.030 1 1350 115 115 PRO CG C 27.792 0.030 1 1351 115 115 PRO CD C 50.461 0.030 1 1352 116 116 ASP H H 8.574 0.030 1 1353 116 116 ASP HA H 4.615 0.030 1 1354 116 116 ASP HB2 H 2.841 0.030 2 1355 116 116 ASP HB3 H 2.674 0.030 2 1356 116 116 ASP C C 177.080 0.030 1 1357 116 116 ASP CA C 53.811 0.030 1 1358 116 116 ASP CB C 40.809 0.030 1 1359 116 116 ASP N N 122.733 0.030 1 1360 117 117 ILE H H 9.044 0.030 1 1361 117 117 ILE HA H 4.712 0.030 1 1362 117 117 ILE HB H 2.126 0.030 1 1363 117 117 ILE HG12 H 1.281 0.030 2 1364 117 117 ILE HG13 H 0.952 0.030 2 1365 117 117 ILE HG2 H 0.635 0.030 1 1366 117 117 ILE HD1 H 0.778 0.030 1 1367 117 117 ILE C C 177.661 0.030 1 1368 117 117 ILE CA C 60.208 0.030 1 1369 117 117 ILE CB C 38.578 0.030 1 1370 117 117 ILE CG1 C 25.894 0.030 1 1371 117 117 ILE CG2 C 17.333 0.030 1 1372 117 117 ILE CD1 C 15.112 0.030 1 1373 117 117 ILE N N 120.589 0.030 1 1374 118 118 SER H H 8.674 0.030 1 1375 118 118 SER HA H 4.134 0.030 1 1376 118 118 SER HB2 H 3.999 0.030 1 1377 118 118 SER HB3 H 3.999 0.030 1 1378 118 118 SER C C 175.467 0.030 1 1379 118 118 SER CA C 61.993 0.030 1 1380 118 118 SER CB C 62.977 0.030 1 1381 118 118 SER N N 121.736 0.030 1 1382 119 119 SER H H 8.354 0.030 1 1383 119 119 SER HA H 4.601 0.030 1 1384 119 119 SER HB2 H 3.954 0.030 2 1385 119 119 SER HB3 H 3.897 0.030 2 1386 119 119 SER C C 174.319 0.030 1 1387 119 119 SER CA C 58.748 0.030 1 1388 119 119 SER CB C 63.388 0.030 1 1389 119 119 SER N N 115.896 0.030 1 1390 120 120 CYS H H 7.602 0.030 1 1391 120 120 CYS HA H 4.651 0.030 1 1392 120 120 CYS HB2 H 3.021 0.030 2 1393 120 120 CYS HB3 H 2.831 0.030 2 1394 120 120 CYS C C 175.210 0.030 1 1395 120 120 CYS CA C 52.287 0.030 1 1396 120 120 CYS CB C 34.844 0.030 1 1397 120 120 CYS N N 123.950 0.030 1 stop_ save_