data_19866 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the amylase-binding protein A from Streptococcus Parasanguinis ; _BMRB_accession_number 19866 _BMRB_flat_file_name bmr19866.str _Entry_type original _Submission_date 2014-03-18 _Accession_date 2014-03-18 _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 Liu Bing . . 2 Zhou Fan . . 3 Wu Hui . . 4 Matthews Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 884 "13C chemical shifts" 687 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-08 original author . stop_ _Original_release_date 2014-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the amylase-binding protein A from Streptococcus parasanguinis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25016927 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Bing . . 2 Zhou Fan . . 3 Wu Hui . . 4 Matthews Stephen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AbpA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AbpA $AbpA 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_AbpA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AbpA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; SEFELRRQACGRQGENPSAS NQLIQKKYVSWRDAADEANT QVAAHEAEIKEETLRQPGVV AAQQALDKANAIVGHDHEQA VKRAQEDYNTAYNEAYNTVR NRYIQVLQQKYIEAAKAQGN YYDETAVEANRTNEQRIADD IKAQTGKDVTVTKDENGNYV VKDEKGNVVATVDKDGKTVK ADAKAG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 PHE 4 GLU 5 LEU 6 ARG 7 ARG 8 GLN 9 ALA 10 CYS 11 GLY 12 ARG 13 GLN 14 GLY 15 GLU 16 ASN 17 PRO 18 SER 19 ALA 20 SER 21 ASN 22 GLN 23 LEU 24 ILE 25 GLN 26 LYS 27 LYS 28 TYR 29 VAL 30 SER 31 TRP 32 ARG 33 ASP 34 ALA 35 ALA 36 ASP 37 GLU 38 ALA 39 ASN 40 THR 41 GLN 42 VAL 43 ALA 44 ALA 45 HIS 46 GLU 47 ALA 48 GLU 49 ILE 50 LYS 51 GLU 52 GLU 53 THR 54 LEU 55 ARG 56 GLN 57 PRO 58 GLY 59 VAL 60 VAL 61 ALA 62 ALA 63 GLN 64 GLN 65 ALA 66 LEU 67 ASP 68 LYS 69 ALA 70 ASN 71 ALA 72 ILE 73 VAL 74 GLY 75 HIS 76 ASP 77 HIS 78 GLU 79 GLN 80 ALA 81 VAL 82 LYS 83 ARG 84 ALA 85 GLN 86 GLU 87 ASP 88 TYR 89 ASN 90 THR 91 ALA 92 TYR 93 ASN 94 GLU 95 ALA 96 TYR 97 ASN 98 THR 99 VAL 100 ARG 101 ASN 102 ARG 103 TYR 104 ILE 105 GLN 106 VAL 107 LEU 108 GLN 109 GLN 110 LYS 111 TYR 112 ILE 113 GLU 114 ALA 115 ALA 116 LYS 117 ALA 118 GLN 119 GLY 120 ASN 121 TYR 122 TYR 123 ASP 124 GLU 125 THR 126 ALA 127 VAL 128 GLU 129 ALA 130 ASN 131 ARG 132 THR 133 ASN 134 GLU 135 GLN 136 ARG 137 ILE 138 ALA 139 ASP 140 ASP 141 ILE 142 LYS 143 ALA 144 GLN 145 THR 146 GLY 147 LYS 148 ASP 149 VAL 150 THR 151 VAL 152 THR 153 LYS 154 ASP 155 GLU 156 ASN 157 GLY 158 ASN 159 TYR 160 VAL 161 VAL 162 LYS 163 ASP 164 GLU 165 LYS 166 GLY 167 ASN 168 VAL 169 VAL 170 ALA 171 THR 172 VAL 173 ASP 174 LYS 175 ASP 176 GLY 177 LYS 178 THR 179 VAL 180 LYS 181 ALA 182 ASP 183 ALA 184 LYS 185 ALA 186 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 GB AEH56528 "hypothetical protein HMPREF0833_11497 [Streptococcus parasanguinis ATCC 15912]" 93.55 207 100.00 100.00 1.33e-118 GB AFJ25054 "amylase-binding protein AbpA [Streptococcus parasanguinis FW213]" 93.55 207 100.00 100.00 1.33e-118 GB KJU96617 "hypothetical protein UA01_01996 [Streptococcus sanguinis]" 93.55 207 100.00 100.00 1.33e-118 REF WP_013904381 "MULTISPECIES: amylase-binding protein [Streptococcus]" 93.55 207 100.00 100.00 1.33e-118 REF WP_049489234 "amylase-binding protein [Streptococcus parasanguinis]" 93.55 207 99.43 100.00 5.49e-118 REF WP_049498793 "amylase-binding protein [Streptococcus parasanguinis]" 93.55 207 98.28 99.43 1.71e-116 REF WP_049518287 "amylase-binding protein [Streptococcus parasanguinis]" 93.55 207 97.70 98.85 7.17e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AbpA 'E. coli' 562 Bacteria . Escherichia coli 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 $AbpA 'recombinant technology' . Escherichia coli . 'Not applicable' 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 H2O 4.8 na 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' $AbpA . mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 0.1 . M pH 5 . pH pressure 1 . atm temperature 310 . 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 4.8 internal indirect . . . . water H 1 protons ppm 4.8 internal direct . . . 1 water N 15 protons ppm 4.8 internal indirect . . . . 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 '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' 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 AbpA _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 14 14 GLY H H 8.396 . . 2 14 14 GLY HA2 H 3.963 . . 3 14 14 GLY HA3 H 4.385 . . 4 14 14 GLY C C 173.901 . . 5 14 14 GLY CA C 45.300 . . 6 14 14 GLY N N 110.129 . . 7 15 15 GLU H H 8.110 . . 8 15 15 GLU C C 176.010 . . 9 15 15 GLU CA C 56.448 . . 10 15 15 GLU CB C 30.468 . . 11 15 15 GLU N N 119.800 . . 12 16 16 ASN H H 8.475 . . 13 16 16 ASN CA C 51.362 . . 14 16 16 ASN CB C 38.919 . . 15 16 16 ASN N N 120.320 . . 16 17 17 PRO HA H 4.445 . . 17 17 17 PRO HB2 H 2.030 . . 18 17 17 PRO HB3 H 2.287 . . 19 17 17 PRO HG2 H 2.010 . . 20 17 17 PRO HG3 H 2.010 . . 21 17 17 PRO HD2 H 3.754 . . 22 17 17 PRO HD3 H 3.754 . . 23 17 17 PRO C C 177.154 . . 24 17 17 PRO CA C 63.854 . . 25 17 17 PRO CB C 32.071 . . 26 17 17 PRO CG C 27.343 . . 27 18 18 SER H H 8.256 . . 28 18 18 SER HA H 4.423 . . 29 18 18 SER HB2 H 3.891 . . 30 18 18 SER HB3 H 3.891 . . 31 18 18 SER C C 174.562 . . 32 18 18 SER CA C 58.639 . . 33 18 18 SER CB C 63.994 . . 34 18 18 SER N N 115.364 . . 35 19 19 ALA H H 8.130 . . 36 19 19 ALA HA H 4.358 . . 37 19 19 ALA HB H 1.400 . . 38 19 19 ALA CA C 52.848 . . 39 19 19 ALA CB C 19.513 . . 40 19 19 ALA N N 125.538 . . 41 20 20 SER H H 8.153 . . 42 20 20 SER HA H 4.429 . . 43 20 20 SER HB2 H 3.886 . . 44 20 20 SER HB3 H 3.886 . . 45 20 20 SER C C 174.634 . . 46 20 20 SER CA C 58.517 . . 47 20 20 SER CB C 63.994 . . 48 20 20 SER N N 114.480 . . 49 21 21 ASN H H 8.312 . . 50 21 21 ASN HA H 4.660 . . 51 21 21 ASN HB2 H 2.851 . . 52 21 21 ASN HB3 H 2.851 . . 53 21 21 ASN C C 175.277 . . 54 21 21 ASN CA C 53.709 . . 55 21 21 ASN CB C 38.841 . . 56 21 21 ASN N N 120.512 . . 57 22 22 GLN H H 8.214 . . 58 22 22 GLN HA H 4.298 . . 59 22 22 GLN HB2 H 2.048 . . 60 22 22 GLN HB3 H 2.109 . . 61 22 22 GLN C C 175.956 . . 62 22 22 GLN CA C 56.091 . . 63 22 22 GLN CB C 29.529 . . 64 22 22 GLN N N 120.370 . . 65 23 23 LEU H H 8.111 . . 66 23 23 LEU HA H 4.308 . . 67 23 23 LEU HB2 H 1.576 . . 68 23 23 LEU HB3 H 1.641 . . 69 23 23 LEU HG H 1.571 . . 70 23 23 LEU HD1 H 0.890 . . 71 23 23 LEU HD2 H 0.890 . . 72 23 23 LEU C C 177.225 . . 73 23 23 LEU CA C 55.744 . . 74 23 23 LEU CB C 42.150 . . 75 23 23 LEU CG C 27.100 . . 76 23 23 LEU CD1 C 24.944 . . 77 23 23 LEU CD2 C 24.944 . . 78 23 23 LEU N N 122.129 . . 79 24 24 ILE H H 7.906 . . 80 24 24 ILE HA H 4.120 . . 81 24 24 ILE HB H 1.845 . . 82 24 24 ILE HG12 H 1.160 . . 83 24 24 ILE HG13 H 1.440 . . 84 24 24 ILE HG2 H 0.870 . . 85 24 24 ILE HD1 H 0.820 . . 86 24 24 ILE C C 176.063 . . 87 24 24 ILE CA C 61.153 . . 88 24 24 ILE CB C 38.524 . . 89 24 24 ILE CG1 C 27.460 . . 90 24 24 ILE CG2 C 17.503 . . 91 24 24 ILE CD1 C 12.776 . . 92 24 24 ILE N N 120.860 . . 93 25 25 GLN H H 8.242 . . 94 25 25 GLN HA H 4.300 . . 95 25 25 GLN HB2 H 1.958 . . 96 25 25 GLN HB3 H 2.093 . . 97 25 25 GLN CA C 55.744 . . 98 25 25 GLN CB C 29.529 . . 99 25 25 GLN N N 123.890 . . 100 26 26 LYS H H 8.089 . . 101 26 26 LYS HA H 4.218 . . 102 26 26 LYS HB2 H 1.650 . . 103 26 26 LYS HB3 H 1.647 . . 104 26 26 LYS HG2 H 1.292 . . 105 26 26 LYS HG3 H 1.292 . . 106 26 26 LYS HE2 H 2.933 . . 107 26 26 LYS CA C 56.442 . . 108 26 26 LYS CB C 33.346 . . 109 26 26 LYS CG C 24.646 . . 110 26 26 LYS CD C 29.170 . . 111 26 26 LYS CE C 41.843 . . 112 26 26 LYS N N 122.954 . . 113 27 27 LYS H H 8.161 . . 114 27 27 LYS HA H 4.213 . . 115 27 27 LYS HB2 H 1.658 . . 116 27 27 LYS HB3 H 1.658 . . 117 27 27 LYS HG2 H 1.262 . . 118 27 27 LYS HG3 H 1.292 . . 119 27 27 LYS C C 175.670 . . 120 27 27 LYS CA C 56.448 . . 121 27 27 LYS CB C 33.285 . . 122 27 27 LYS CG C 24.946 . . 123 27 27 LYS N N 123.008 . . 124 28 28 TYR H H 7.952 . . 125 28 28 TYR HA H 4.941 . . 126 28 28 TYR HB2 H 2.734 . . 127 28 28 TYR HB3 H 2.734 . . 128 28 28 TYR HD1 H 6.952 . . 129 28 28 TYR HD2 H 6.952 . . 130 28 28 TYR HE1 H 6.667 . . 131 28 28 TYR HE2 H 6.667 . . 132 28 28 TYR C C 175.545 . . 133 28 28 TYR CA C 57.316 . . 134 28 28 TYR CB C 40.318 . . 135 28 28 TYR CD1 C 133.381 . . 136 28 28 TYR CD2 C 133.381 . . 137 28 28 TYR CE1 C 117.700 . . 138 28 28 TYR CE2 C 117.700 . . 139 28 28 TYR N N 119.900 . . 140 29 29 VAL H H 8.686 . . 141 29 29 VAL HA H 4.531 . . 142 29 29 VAL HB H 2.189 . . 143 29 29 VAL HG1 H 1.000 . . 144 29 29 VAL HG2 H 1.000 . . 145 29 29 VAL C C 174.080 . . 146 29 29 VAL CA C 61.165 . . 147 29 29 VAL CB C 34.950 . . 148 29 29 VAL CG1 C 21.684 . . 149 29 29 VAL CG2 C 21.680 . . 150 29 29 VAL N N 119.900 . . 151 30 30 SER H H 9.260 . . 152 30 30 SER HA H 4.980 . . 153 30 30 SER HB2 H 3.844 . . 154 30 30 SER HB3 H 4.255 . . 155 30 30 SER C C 176.050 . . 156 30 30 SER CA C 56.545 . . 157 30 30 SER CB C 67.392 . . 158 30 30 SER N N 119.900 . . 159 31 31 TRP H H 9.012 . . 160 31 31 TRP HA H 4.375 . . 161 31 31 TRP HB2 H 3.440 . . 162 31 31 TRP HB3 H 3.581 . . 163 31 31 TRP HD1 H 7.459 . . 164 31 31 TRP HE1 H 10.125 . . 165 31 31 TRP HE3 H 7.509 . . 166 31 31 TRP HZ2 H 7.485 . . 167 31 31 TRP HZ3 H 7.072 . . 168 31 31 TRP HH2 H 7.196 . . 169 31 31 TRP CA C 61.366 . . 170 31 31 TRP CB C 28.524 . . 171 31 31 TRP CD1 C 127.700 . . 172 31 31 TRP CE3 C 120.800 . . 173 31 31 TRP CZ2 C 114.650 . . 174 31 31 TRP CZ3 C 121.700 . . 175 31 31 TRP CH2 C 124.800 . . 176 31 31 TRP N N 122.370 . . 177 31 31 TRP NE1 N 129.350 . . 178 32 32 ARG H H 7.955 . . 179 32 32 ARG HA H 3.741 . . 180 32 32 ARG HB2 H 1.567 . . 181 32 32 ARG HB3 H 1.671 . . 182 32 32 ARG HG2 H 1.292 . . 183 32 32 ARG HG3 H 1.292 . . 184 32 32 ARG HD2 H 3.087 . . 185 32 32 ARG HD3 H 3.087 . . 186 32 32 ARG C C 178.200 . . 187 32 32 ARG CA C 58.876 . . 188 32 32 ARG CB C 29.680 . . 189 32 32 ARG CG C 26.900 . . 190 32 32 ARG CD C 43.360 . . 191 32 32 ARG N N 120.000 . . 192 33 33 ASP H H 7.572 . . 193 33 33 ASP HA H 4.375 . . 194 33 33 ASP HB2 H 2.867 . . 195 33 33 ASP HB3 H 2.867 . . 196 33 33 ASP C C 178.422 . . 197 33 33 ASP CA C 57.424 . . 198 33 33 ASP CB C 41.340 . . 199 33 33 ASP N N 119.300 . . 200 34 34 ALA H H 7.830 . . 201 34 34 ALA HA H 4.405 . . 202 34 34 ALA HB H 1.572 . . 203 34 34 ALA C C 178.744 . . 204 34 34 ALA CA C 55.600 . . 205 34 34 ALA CB C 19.591 . . 206 34 34 ALA N N 122.118 . . 207 35 35 ALA H H 8.170 . . 208 35 35 ALA HA H 3.922 . . 209 35 35 ALA HB H 1.322 . . 210 35 35 ALA C C 180.120 . . 211 35 35 ALA CA C 55.111 . . 212 35 35 ALA CB C 17.853 . . 213 35 35 ALA N N 121.370 . . 214 36 36 ASP H H 8.144 . . 215 36 36 ASP HA H 4.445 . . 216 36 36 ASP HB2 H 2.822 . . 217 36 36 ASP HB3 H 2.822 . . 218 36 36 ASP C C 179.048 . . 219 36 36 ASP CA C 57.574 . . 220 36 36 ASP CB C 40.390 . . 221 36 36 ASP N N 119.938 . . 222 37 37 GLU H H 8.062 . . 223 37 37 GLU HA H 4.043 . . 224 37 37 GLU HB2 H 2.153 . . 225 37 37 GLU HB3 H 2.153 . . 226 37 37 GLU C C 179.066 . . 227 37 37 GLU CA C 58.700 . . 228 37 37 GLU CB C 28.752 . . 229 37 37 GLU CG C 36.110 . . 230 37 37 GLU N N 120.850 . . 231 38 38 ALA H H 8.400 . . 232 38 38 ALA HA H 4.036 . . 233 38 38 ALA HB H 1.567 . . 234 38 38 ALA C C 178.762 . . 235 38 38 ALA CA C 55.744 . . 236 38 38 ALA CB C 19.540 . . 237 38 38 ALA N N 122.337 . . 238 39 39 ASN H H 8.116 . . 239 39 39 ASN HA H 4.400 . . 240 39 39 ASN HB2 H 2.820 . . 241 39 39 ASN HB3 H 2.998 . . 242 39 39 ASN C C 177.511 . . 243 39 39 ASN CA C 56.526 . . 244 39 39 ASN CB C 39.081 . . 245 39 39 ASN N N 114.821 . . 246 40 40 THR H H 7.912 . . 247 40 40 THR HA H 4.158 . . 248 40 40 THR HB H 4.365 . . 249 40 40 THR HG2 H 1.296 . . 250 40 40 THR C C 176.868 . . 251 40 40 THR CA C 65.814 . . 252 40 40 THR CB C 69.125 . . 253 40 40 THR CG2 C 21.907 . . 254 40 40 THR N N 115.369 . . 255 41 41 GLN H H 8.540 . . 256 41 41 GLN HA H 4.260 . . 257 41 41 GLN HB2 H 2.184 . . 258 41 41 GLN HB3 H 2.184 . . 259 41 41 GLN HG2 H 2.716 . . 260 41 41 GLN HG3 H 2.595 . . 261 41 41 GLN HE21 H 2.173 . . 262 41 41 GLN C C 179.209 . . 263 41 41 GLN CA C 58.178 . . 264 41 41 GLN CB C 29.683 . . 265 41 41 GLN CG C 33.998 . . 266 41 41 GLN N N 120.600 . . 267 42 42 VAL H H 8.283 . . 268 42 42 VAL HA H 3.802 . . 269 42 42 VAL HB H 2.232 . . 270 42 42 VAL HG1 H 1.000 . . 271 42 42 VAL HG2 H 1.000 . . 272 42 42 VAL C C 176.975 . . 273 42 42 VAL CA C 66.151 . . 274 42 42 VAL CB C 30.952 . . 275 42 42 VAL CG1 C 20.320 . . 276 42 42 VAL CG2 C 20.300 . . 277 42 42 VAL N N 119.500 . . 278 43 43 ALA H H 7.366 . . 279 43 43 ALA HA H 4.324 . . 280 43 43 ALA HB H 1.560 . . 281 43 43 ALA C C 179.727 . . 282 43 43 ALA CA C 54.726 . . 283 43 43 ALA CB C 18.495 . . 284 43 43 ALA N N 123.230 . . 285 44 44 ALA H H 7.601 . . 286 44 44 ALA HA H 4.331 . . 287 44 44 ALA HB H 1.400 . . 288 44 44 ALA C C 178.244 . . 289 44 44 ALA CA C 53.374 . . 290 44 44 ALA CB C 18.395 . . 291 44 44 ALA N N 118.731 . . 292 45 45 HIS H H 8.000 . . 293 45 45 HIS HA H 5.009 . . 294 45 45 HIS HB2 H 2.779 . . 295 45 45 HIS HB3 H 3.550 . . 296 45 45 HIS HD2 H 7.447 . . 297 45 45 HIS C C 174.312 . . 298 45 45 HIS CA C 54.918 . . 299 45 45 HIS CB C 28.981 . . 300 45 45 HIS CD2 C 121.100 . . 301 45 45 HIS N N 115.634 . . 302 46 46 GLU H H 7.354 . . 303 46 46 GLU HA H 4.087 . . 304 46 46 GLU HB2 H 2.048 . . 305 46 46 GLU HB3 H 2.048 . . 306 46 46 GLU HG2 H 2.266 . . 307 46 46 GLU HG3 H 2.266 . . 308 46 46 GLU C C 177.600 . . 309 46 46 GLU CA C 59.969 . . 310 46 46 GLU CB C 29.686 . . 311 46 46 GLU CG C 36.310 . . 312 46 46 GLU N N 121.649 . . 313 47 47 ALA H H 8.751 . . 314 47 47 ALA HA H 4.152 . . 315 47 47 ALA HB H 1.491 . . 316 47 47 ALA C C 180.853 . . 317 47 47 ALA CA C 56.008 . . 318 47 47 ALA CB C 17.948 . . 319 47 47 ALA N N 120.433 . . 320 48 48 GLU H H 7.900 . . 321 48 48 GLU HA H 4.184 . . 322 48 48 GLU HB2 H 2.264 . . 323 48 48 GLU HB3 H 2.182 . . 324 48 48 GLU HG2 H 2.500 . . 325 48 48 GLU HG3 H 2.500 . . 326 48 48 GLU CA C 59.328 . . 327 48 48 GLU CB C 28.752 . . 328 48 48 GLU CG C 36.300 . . 329 48 48 GLU N N 118.860 . . 330 49 49 ILE H H 7.964 . . 331 49 49 ILE HA H 3.382 . . 332 49 49 ILE HB H 1.831 . . 333 49 49 ILE HG12 H 0.225 . . 334 49 49 ILE HG13 H 1.100 . . 335 49 49 ILE HG2 H 0.405 . . 336 49 49 ILE HD1 H 0.459 . . 337 49 49 ILE C C 176.135 . . 338 49 49 ILE CA C 64.860 . . 339 49 49 ILE CB C 37.704 . . 340 49 49 ILE CG1 C 29.171 . . 341 49 49 ILE CG2 C 17.600 . . 342 49 49 ILE CD1 C 14.000 . . 343 49 49 ILE N N 121.485 . . 344 50 50 LYS H H 8.870 . . 345 50 50 LYS HA H 4.035 . . 346 50 50 LYS HB2 H 2.072 . . 347 50 50 LYS HB3 H 2.072 . . 348 50 50 LYS HG2 H 1.530 . . 349 50 50 LYS HG3 H 1.530 . . 350 50 50 LYS HD2 H 1.803 . . 351 50 50 LYS HD3 H 1.833 . . 352 50 50 LYS C C 178.065 . . 353 50 50 LYS CA C 61.340 . . 354 50 50 LYS CB C 32.472 . . 355 50 50 LYS CG C 25.952 . . 356 50 50 LYS N N 123.800 . . 357 51 51 GLU H H 7.878 . . 358 51 51 GLU HA H 4.103 . . 359 51 51 GLU HB2 H 2.160 . . 360 51 51 GLU HB3 H 2.160 . . 361 51 51 GLU HG2 H 2.276 . . 362 51 51 GLU HG3 H 2.435 . . 363 51 51 GLU C C 179.048 . . 364 51 51 GLU CA C 60.048 . . 365 51 51 GLU CB C 29.529 . . 366 51 51 GLU CG C 36.211 . . 367 51 51 GLU N N 118.178 . . 368 52 52 GLU H H 8.000 . . 369 52 52 GLU HA H 4.123 . . 370 52 52 GLU HB2 H 2.073 . . 371 52 52 GLU HB3 H 2.254 . . 372 52 52 GLU C C 180.299 . . 373 52 52 GLU CA C 59.500 . . 374 52 52 GLU CB C 29.251 . . 375 52 52 GLU CG C 36.169 . . 376 52 52 GLU N N 118.278 . . 377 53 53 THR H H 8.518 . . 378 53 53 THR HA H 3.553 . . 379 53 53 THR HB H 4.489 . . 380 53 53 THR HG2 H 0.618 . . 381 53 53 THR C C 176.045 . . 382 53 53 THR CA C 69.317 . . 383 53 53 THR CB C 67.849 . . 384 53 53 THR CG2 C 22.096 . . 385 53 53 THR N N 120.802 . . 386 54 54 LEU H H 7.585 . . 387 54 54 LEU HA H 4.160 . . 388 54 54 LEU HB2 H 2.027 . . 389 54 54 LEU HB3 H 2.027 . . 390 54 54 LEU HG H 2.177 . . 391 54 54 LEU HD1 H 1.166 . . 392 54 54 LEU HD2 H 1.050 . . 393 54 54 LEU CA C 57.228 . . 394 54 54 LEU CB C 41.944 . . 395 54 54 LEU CG C 26.950 . . 396 54 54 LEU CD1 C 23.060 . . 397 54 54 LEU CD2 C 26.226 . . 398 54 54 LEU N N 116.880 . . 399 55 55 ARG H H 7.128 . . 400 55 55 ARG HA H 4.425 . . 401 55 55 ARG HB2 H 1.904 . . 402 55 55 ARG HB3 H 1.988 . . 403 55 55 ARG HG2 H 1.773 . . 404 55 55 ARG HG3 H 1.773 . . 405 55 55 ARG HD2 H 3.234 . . 406 55 55 ARG HD3 H 3.234 . . 407 55 55 ARG C C 177.386 . . 408 55 55 ARG CA C 55.429 . . 409 55 55 ARG CB C 30.964 . . 410 55 55 ARG CG C 27.700 . . 411 55 55 ARG N N 112.511 . . 412 56 56 GLN H H 7.815 . . 413 56 56 GLN C C 175.795 . . 414 56 56 GLN CA C 56.109 . . 415 56 56 GLN CB C 29.456 . . 416 56 56 GLN N N 121.044 . . 417 57 57 PRO HA H 4.242 . . 418 57 57 PRO HB2 H 2.052 . . 419 57 57 PRO HB3 H 2.435 . . 420 57 57 PRO HG2 H 2.167 . . 421 57 57 PRO HG3 H 2.161 . . 422 57 57 PRO HD2 H 3.782 . . 423 57 57 PRO HD3 H 4.385 . . 424 57 57 PRO C C 179.316 . . 425 57 57 PRO CA C 66.066 . . 426 57 57 PRO CB C 32.111 . . 427 57 57 PRO CG C 28.134 . . 428 57 57 PRO CD C 57.000 . . 429 58 58 GLY H H 9.124 . . 430 58 58 GLY HA2 H 3.957 . . 431 58 58 GLY HA3 H 3.942 . . 432 58 58 GLY C C 176.617 . . 433 58 58 GLY CA C 46.488 . . 434 58 58 GLY N N 105.695 . . 435 59 59 VAL H H 7.265 . . 436 59 59 VAL HA H 3.525 . . 437 59 59 VAL HB H 2.339 . . 438 59 59 VAL HG1 H 0.767 . . 439 59 59 VAL HG2 H 0.767 . . 440 59 59 VAL C C 177.100 . . 441 59 59 VAL CA C 66.308 . . 442 59 59 VAL CB C 31.564 . . 443 59 59 VAL CG1 C 24.500 . . 444 59 59 VAL CG2 C 24.419 . . 445 59 59 VAL N N 123.693 . . 446 60 60 VAL H H 8.000 . . 447 60 60 VAL HA H 4.233 . . 448 60 60 VAL HB H 2.054 . . 449 60 60 VAL HG1 H 1.039 . . 450 60 60 VAL HG2 H 1.039 . . 451 60 60 VAL CA C 66.474 . . 452 60 60 VAL CB C 32.171 . . 453 60 60 VAL CG1 C 22.432 . . 454 60 60 VAL CG2 C 22.432 . . 455 60 60 VAL N N 121.480 . . 456 61 61 ALA H H 8.172 . . 457 61 61 ALA HA H 4.254 . . 458 61 61 ALA HB H 1.507 . . 459 61 61 ALA C C 180.889 . . 460 61 61 ALA CA C 55.274 . . 461 61 61 ALA CB C 18.182 . . 462 61 61 ALA N N 120.170 . . 463 62 62 ALA H H 7.750 . . 464 62 62 ALA HA H 4.395 . . 465 62 62 ALA HB H 1.637 . . 466 62 62 ALA CA C 54.905 . . 467 62 62 ALA CB C 18.500 . . 468 62 62 ALA N N 121.780 . . 469 63 63 GLN H H 9.420 . . 470 63 63 GLN HA H 4.264 . . 471 63 63 GLN HB2 H 2.347 . . 472 63 63 GLN HB3 H 2.347 . . 473 63 63 GLN HG2 H 2.603 . . 474 63 63 GLN HG3 H 2.603 . . 475 63 63 GLN C C 177.690 . . 476 63 63 GLN CA C 58.139 . . 477 63 63 GLN CB C 28.194 . . 478 63 63 GLN CG C 34.000 . . 479 63 63 GLN N N 123.194 . . 480 64 64 GLN H H 8.275 . . 481 64 64 GLN HA H 4.238 . . 482 64 64 GLN HB2 H 2.162 . . 483 64 64 GLN HB3 H 2.162 . . 484 64 64 GLN HG2 H 2.728 . . 485 64 64 GLN HG3 H 2.728 . . 486 64 64 GLN CA C 59.143 . . 487 64 64 GLN CB C 28.022 . . 488 64 64 GLN CG C 34.000 . . 489 64 64 GLN N N 119.493 . . 490 65 65 ALA H H 7.868 . . 491 65 65 ALA HA H 4.185 . . 492 65 65 ALA HB H 1.610 . . 493 65 65 ALA C C 180.567 . . 494 65 65 ALA CA C 55.039 . . 495 65 65 ALA CB C 18.026 . . 496 65 65 ALA N N 121.400 . . 497 66 66 LEU H H 8.035 . . 498 66 66 LEU HA H 4.054 . . 499 66 66 LEU HB2 H 1.405 . . 500 66 66 LEU HB3 H 2.045 . . 501 66 66 LEU HG H 1.412 . . 502 66 66 LEU HD1 H 0.614 . . 503 66 66 LEU HD2 H 0.765 . . 504 66 66 LEU C C 177.958 . . 505 66 66 LEU CA C 58.151 . . 506 66 66 LEU CB C 42.563 . . 507 66 66 LEU CG C 24.800 . . 508 66 66 LEU CD1 C 25.700 . . 509 66 66 LEU CD2 C 24.220 . . 510 66 66 LEU N N 123.479 . . 511 67 67 ASP H H 8.720 . . 512 67 67 ASP HA H 4.385 . . 513 67 67 ASP HB2 H 2.656 . . 514 67 67 ASP HB3 H 2.882 . . 515 67 67 ASP C C 179.870 . . 516 67 67 ASP CA C 57.422 . . 517 67 67 ASP CB C 39.937 . . 518 67 67 ASP N N 121.399 . . 519 68 68 LYS H H 7.950 . . 520 68 68 LYS HA H 4.051 . . 521 68 68 LYS HB2 H 1.904 . . 522 68 68 LYS HB3 H 1.904 . . 523 68 68 LYS HG2 H 1.419 . . 524 68 68 LYS HG3 H 1.419 . . 525 68 68 LYS HD2 H 1.684 . . 526 68 68 LYS HD3 H 1.684 . . 527 68 68 LYS HE2 H 2.969 . . 528 68 68 LYS HE3 H 2.989 . . 529 68 68 LYS C C 179.262 . . 530 68 68 LYS CA C 59.343 . . 531 68 68 LYS CB C 32.503 . . 532 68 68 LYS CG C 25.121 . . 533 68 68 LYS CD C 28.969 . . 534 68 68 LYS CE C 41.894 . . 535 68 68 LYS N N 119.950 . . 536 69 69 ALA H H 8.004 . . 537 69 69 ALA HA H 4.081 . . 538 69 69 ALA HB H 1.282 . . 539 69 69 ALA C C 178.977 . . 540 69 69 ALA CA C 54.726 . . 541 69 69 ALA CB C 18.104 . . 542 69 69 ALA N N 122.810 . . 543 70 70 ASN H H 8.245 . . 544 70 70 ASN HA H 4.261 . . 545 70 70 ASN HB2 H 2.812 . . 546 70 70 ASN HB3 H 2.812 . . 547 70 70 ASN C C 176.081 . . 548 70 70 ASN CA C 55.118 . . 549 70 70 ASN CB C 39.311 . . 550 70 70 ASN N N 113.417 . . 551 71 71 ALA H H 7.331 . . 552 71 71 ALA HA H 4.355 . . 553 71 71 ALA HB H 1.504 . . 554 71 71 ALA C C 177.833 . . 555 71 71 ALA CA C 52.144 . . 556 71 71 ALA CB C 19.356 . . 557 71 71 ALA N N 119.492 . . 558 72 72 ILE H H 7.453 . . 559 72 72 ILE HA H 3.939 . . 560 72 72 ILE HB H 1.963 . . 561 72 72 ILE HG12 H 1.228 . . 562 72 72 ILE HG13 H 1.864 . . 563 72 72 ILE HG2 H 0.827 . . 564 72 72 ILE HD1 H 0.860 . . 565 72 72 ILE C C 176.617 . . 566 72 72 ILE CA C 62.683 . . 567 72 72 ILE CB C 38.606 . . 568 72 72 ILE CG1 C 27.933 . . 569 72 72 ILE CG2 C 17.087 . . 570 72 72 ILE CD1 C 13.270 . . 571 72 72 ILE N N 120.997 . . 572 73 73 VAL H H 8.538 . . 573 73 73 VAL HA H 4.299 . . 574 73 73 VAL HB H 2.059 . . 575 73 73 VAL HG1 H 0.920 . . 576 73 73 VAL HG2 H 0.922 . . 577 73 73 VAL C C 176.564 . . 578 73 73 VAL CA C 61.613 . . 579 73 73 VAL CB C 33.050 . . 580 73 73 VAL CG1 C 21.104 . . 581 73 73 VAL CG2 C 21.706 . . 582 73 73 VAL N N 127.799 . . 583 74 74 GLY H H 8.640 . . 584 74 74 GLY HA2 H 3.912 . . 585 74 74 GLY HA3 H 4.388 . . 586 74 74 GLY C C 175.223 . . 587 74 74 GLY CA C 44.632 . . 588 74 74 GLY N N 113.016 . . 589 75 75 HIS HA H 4.402 . . 590 75 75 HIS HB2 H 3.272 . . 591 75 75 HIS HB3 H 3.342 . . 592 75 75 HIS HD2 H 7.342 . . 593 75 75 HIS CA C 58.654 . . 594 75 75 HIS CB C 29.127 . . 595 75 75 HIS CD2 C 120.680 . . 596 76 76 ASP H H 9.063 . . 597 76 76 ASP HA H 4.710 . . 598 76 76 ASP HB2 H 2.665 . . 599 76 76 ASP HB3 H 2.763 . . 600 76 76 ASP C C 175.956 . . 601 76 76 ASP CA C 54.938 . . 602 76 76 ASP CB C 40.250 . . 603 76 76 ASP N N 118.500 . . 604 77 77 HIS H H 7.999 . . 605 77 77 HIS HA H 3.950 . . 606 77 77 HIS HB2 H 3.404 . . 607 77 77 HIS HB3 H 3.404 . . 608 77 77 HIS HD2 H 7.312 . . 609 77 77 HIS C C 175.152 . . 610 77 77 HIS CA C 60.674 . . 611 77 77 HIS CB C 28.852 . . 612 77 77 HIS CD2 C 121.300 . . 613 77 77 HIS N N 118.293 . . 614 78 78 GLU H H 8.627 . . 615 78 78 GLU HA H 3.856 . . 616 78 78 GLU HB2 H 2.065 . . 617 78 78 GLU HB3 H 2.165 . . 618 78 78 GLU HG2 H 2.354 . . 619 78 78 GLU HG3 H 2.358 . . 620 78 78 GLU C C 179.102 . . 621 78 78 GLU CA C 60.595 . . 622 78 78 GLU CB C 29.280 . . 623 78 78 GLU CG C 36.500 . . 624 78 78 GLU N N 117.401 . . 625 79 79 GLN H H 8.446 . . 626 79 79 GLN HA H 4.050 . . 627 79 79 GLN HB2 H 2.075 . . 628 79 79 GLN HB3 H 2.178 . . 629 79 79 GLN HG2 H 2.459 . . 630 79 79 GLN HG3 H 2.460 . . 631 79 79 GLN C C 178.154 . . 632 79 79 GLN CA C 58.639 . . 633 79 79 GLN CB C 29.090 . . 634 79 79 GLN CG C 33.959 . . 635 79 79 GLN N N 118.262 . . 636 80 80 ALA H H 8.144 . . 637 80 80 ALA HA H 4.083 . . 638 80 80 ALA HB H 1.450 . . 639 80 80 ALA C C 181.264 . . 640 80 80 ALA CA C 55.274 . . 641 80 80 ALA CB C 18.652 . . 642 80 80 ALA N N 122.451 . . 643 81 81 VAL H H 8.252 . . 644 81 81 VAL HA H 3.364 . . 645 81 81 VAL HB H 1.864 . . 646 81 81 VAL HG1 H 0.572 . . 647 81 81 VAL HG2 H 0.812 . . 648 81 81 VAL C C 176.939 . . 649 81 81 VAL CA C 66.934 . . 650 81 81 VAL CB C 31.607 . . 651 81 81 VAL CG1 C 22.900 . . 652 81 81 VAL CG2 C 21.305 . . 653 81 81 VAL N N 119.125 . . 654 82 82 LYS H H 7.850 . . 655 82 82 LYS HA H 4.033 . . 656 82 82 LYS HB2 H 1.907 . . 657 82 82 LYS HB3 H 1.907 . . 658 82 82 LYS HG2 H 1.421 . . 659 82 82 LYS HG3 H 1.421 . . 660 82 82 LYS HD2 H 1.686 . . 661 82 82 LYS HD3 H 1.686 . . 662 82 82 LYS HE2 H 2.992 . . 663 82 82 LYS HE3 H 2.992 . . 664 82 82 LYS C C 179.584 . . 665 82 82 LYS CA C 60.048 . . 666 82 82 LYS CB C 32.503 . . 667 82 82 LYS CG C 24.800 . . 668 82 82 LYS CD C 29.038 . . 669 82 82 LYS CE C 42.044 . . 670 82 82 LYS N N 120.489 . . 671 83 83 ARG H H 7.853 . . 672 83 83 ARG HA H 4.124 . . 673 83 83 ARG HB2 H 1.936 . . 674 83 83 ARG HB3 H 1.936 . . 675 83 83 ARG HG2 H 1.727 . . 676 83 83 ARG HG3 H 1.727 . . 677 83 83 ARG HD2 H 3.257 . . 678 83 83 ARG HD3 H 3.257 . . 679 83 83 ARG C C 178.083 . . 680 83 83 ARG CA C 58.640 . . 681 83 83 ARG CB C 30.155 . . 682 83 83 ARG CG C 27.100 . . 683 83 83 ARG CD C 43.300 . . 684 83 83 ARG N N 118.178 . . 685 84 84 ALA H H 8.023 . . 686 84 84 ALA HA H 4.300 . . 687 84 84 ALA HB H 1.433 . . 688 84 84 ALA CA C 54.648 . . 689 84 84 ALA CB C 18.417 . . 690 84 84 ALA N N 120.229 . . 691 85 85 GLN H H 9.256 . . 692 85 85 GLN HA H 4.061 . . 693 85 85 GLN HB2 H 2.175 . . 694 85 85 GLN HB3 H 2.335 . . 695 85 85 GLN HG2 H 2.446 . . 696 85 85 GLN HG3 H 2.446 . . 697 85 85 GLN C C 178.315 . . 698 85 85 GLN CA C 59.265 . . 699 85 85 GLN CB C 28.947 . . 700 85 85 GLN CG C 33.959 . . 701 85 85 GLN N N 121.891 . . 702 86 86 GLU H H 7.986 . . 703 86 86 GLU HA H 4.191 . . 704 86 86 GLU HB2 H 2.161 . . 705 86 86 GLU HB3 H 2.280 . . 706 86 86 GLU HG2 H 2.274 . . 707 86 86 GLU HG3 H 2.274 . . 708 86 86 GLU C C 179.709 . . 709 86 86 GLU CA C 59.500 . . 710 86 86 GLU CB C 29.026 . . 711 86 86 GLU CG C 36.269 . . 712 86 86 GLU N N 121.514 . . 713 87 87 ASP H H 8.416 . . 714 87 87 ASP HA H 4.479 . . 715 87 87 ASP HB2 H 2.621 . . 716 87 87 ASP HB3 H 2.741 . . 717 87 87 ASP C C 179.334 . . 718 87 87 ASP CA C 57.409 . . 719 87 87 ASP CB C 39.937 . . 720 87 87 ASP N N 120.063 . . 721 88 88 TYR H H 8.465 . . 722 88 88 TYR HA H 3.948 . . 723 88 88 TYR HB2 H 2.760 . . 724 88 88 TYR HB3 H 2.854 . . 725 88 88 TYR HD1 H 6.845 . . 726 88 88 TYR HD2 H 6.841 . . 727 88 88 TYR HE1 H 6.757 . . 728 88 88 TYR HE2 H 6.746 . . 729 88 88 TYR C C 175.974 . . 730 88 88 TYR CA C 62.362 . . 731 88 88 TYR CB C 38.450 . . 732 88 88 TYR CD1 C 132.600 . . 733 88 88 TYR CD2 C 132.600 . . 734 88 88 TYR CE1 C 118.300 . . 735 88 88 TYR CE2 C 118.300 . . 736 88 88 TYR N N 122.436 . . 737 89 89 ASN H H 8.679 . . 738 89 89 ASN HA H 4.388 . . 739 89 89 ASN HB2 H 2.940 . . 740 89 89 ASN HB3 H 3.078 . . 741 89 89 ASN CA C 56.448 . . 742 89 89 ASN CB C 37.689 . . 743 89 89 ASN N N 119.566 . . 744 90 90 THR H H 8.289 . . 745 90 90 THR HA H 4.017 . . 746 90 90 THR HB H 4.293 . . 747 90 90 THR HG2 H 1.301 . . 748 90 90 THR C C 176.063 . . 749 90 90 THR CA C 66.856 . . 750 90 90 THR CB C 68.900 . . 751 90 90 THR CG2 C 21.896 . . 752 90 90 THR N N 116.800 . . 753 91 91 ALA H H 8.017 . . 754 91 91 ALA HA H 4.081 . . 755 91 91 ALA HB H 1.252 . . 756 91 91 ALA C C 180.514 . . 757 91 91 ALA CA C 55.352 . . 758 91 91 ALA CB C 18.026 . . 759 91 91 ALA N N 124.744 . . 760 92 92 TYR H H 9.332 . . 761 92 92 TYR HA H 3.595 . . 762 92 92 TYR HB2 H 2.940 . . 763 92 92 TYR HB3 H 2.940 . . 764 92 92 TYR HD1 H 6.939 . . 765 92 92 TYR HD2 H 6.950 . . 766 92 92 TYR HE1 H 6.727 . . 767 92 92 TYR HE2 H 6.727 . . 768 92 92 TYR C C 176.492 . . 769 92 92 TYR CA C 62.530 . . 770 92 92 TYR CB C 38.372 . . 771 92 92 TYR CD1 C 133.580 . . 772 92 92 TYR CD2 C 133.580 . . 773 92 92 TYR N N 120.030 . . 774 93 93 ASN H H 8.332 . . 775 93 93 ASN HA H 4.445 . . 776 93 93 ASN HB2 H 2.867 . . 777 93 93 ASN HB3 H 3.000 . . 778 93 93 ASN C C 178.047 . . 779 93 93 ASN CA C 56.918 . . 780 93 93 ASN CB C 38.393 . . 781 93 93 ASN N N 117.237 . . 782 94 94 GLU H H 8.006 . . 783 94 94 GLU HA H 4.141 . . 784 94 94 GLU HB2 H 2.105 . . 785 94 94 GLU HB3 H 2.085 . . 786 94 94 GLU HG2 H 2.460 . . 787 94 94 GLU HG3 H 2.460 . . 788 94 94 GLU C C 179.084 . . 789 94 94 GLU CA C 59.500 . . 790 94 94 GLU CB C 29.842 . . 791 94 94 GLU CG C 36.257 . . 792 94 94 GLU N N 119.321 . . 793 95 95 ALA H H 7.977 . . 794 95 95 ALA HA H 4.180 . . 795 95 95 ALA HB H 1.400 . . 796 95 95 ALA C C 178.119 . . 797 95 95 ALA CA C 55.038 . . 798 95 95 ALA CB C 19.887 . . 799 95 95 ALA N N 123.010 . . 800 96 96 TYR H H 9.171 . . 801 96 96 TYR HA H 4.197 . . 802 96 96 TYR HB2 H 2.627 . . 803 96 96 TYR HB3 H 2.627 . . 804 96 96 TYR HD1 H 6.951 . . 805 96 96 TYR HD2 H 6.951 . . 806 96 96 TYR HE1 H 6.740 . . 807 96 96 TYR HE2 H 6.740 . . 808 96 96 TYR C C 177.547 . . 809 96 96 TYR CA C 60.574 . . 810 96 96 TYR CB C 38.468 . . 811 96 96 TYR CD1 C 133.300 . . 812 96 96 TYR CD2 C 133.200 . . 813 96 96 TYR CE1 C 118.150 . . 814 96 96 TYR CE2 C 118.150 . . 815 96 96 TYR N N 120.597 . . 816 97 97 ASN H H 7.789 . . 817 97 97 ASN HA H 4.249 . . 818 97 97 ASN HB2 H 2.779 . . 819 97 97 ASN HB3 H 2.936 . . 820 97 97 ASN C C 177.604 . . 821 97 97 ASN CA C 56.918 . . 822 97 97 ASN CB C 38.485 . . 823 97 97 ASN N N 115.609 . . 824 98 98 THR H H 7.853 . . 825 98 98 THR HA H 3.944 . . 826 98 98 THR HB H 4.436 . . 827 98 98 THR HG2 H 1.248 . . 828 98 98 THR C C 176.850 . . 829 98 98 THR CA C 67.000 . . 830 98 98 THR CB C 68.890 . . 831 98 98 THR CG2 C 21.405 . . 832 98 98 THR N N 117.261 . . 833 99 99 VAL H H 8.692 . . 834 99 99 VAL HA H 3.517 . . 835 99 99 VAL HB H 1.968 . . 836 99 99 VAL HG1 H 0.964 . . 837 99 99 VAL HG2 H 0.964 . . 838 99 99 VAL C C 178.244 . . 839 99 99 VAL CA C 66.834 . . 840 99 99 VAL CB C 31.094 . . 841 99 99 VAL CG1 C 22.630 . . 842 99 99 VAL CG2 C 22.600 . . 843 99 99 VAL N N 123.749 . . 844 100 100 ARG H H 8.982 . . 845 100 100 ARG HA H 3.619 . . 846 100 100 ARG HB2 H 1.159 . . 847 100 100 ARG HB3 H 1.159 . . 848 100 100 ARG HG2 H 1.700 . . 849 100 100 ARG HG3 H 1.700 . . 850 100 100 ARG HD2 H 3.081 . . 851 100 100 ARG HD3 H 3.178 . . 852 100 100 ARG C C 178.069 . . 853 100 100 ARG CA C 60.799 . . 854 100 100 ARG CB C 29.510 . . 855 100 100 ARG CG C 30.270 . . 856 100 100 ARG CD C 43.500 . . 857 100 100 ARG N N 121.251 . . 858 101 101 ASN H H 8.157 . . 859 101 101 ASN HA H 4.485 . . 860 101 101 ASN HB2 H 2.040 . . 861 101 101 ASN HB3 H 2.032 . . 862 101 101 ASN C C 178.248 . . 863 101 101 ASN CA C 56.451 . . 864 101 101 ASN CB C 37.900 . . 865 101 101 ASN N N 115.658 . . 866 102 102 ARG H H 7.886 . . 867 102 102 ARG HA H 4.288 . . 868 102 102 ARG HB2 H 2.127 . . 869 102 102 ARG HB3 H 2.060 . . 870 102 102 ARG HG2 H 1.413 . . 871 102 102 ARG HG3 H 1.419 . . 872 102 102 ARG HD2 H 2.914 . . 873 102 102 ARG HD3 H 2.914 . . 874 102 102 ARG CA C 59.733 . . 875 102 102 ARG CB C 32.187 . . 876 102 102 ARG CG C 24.846 . . 877 102 102 ARG CD C 41.944 . . 878 102 102 ARG N N 121.800 . . 879 103 103 TYR H H 8.218 . . 880 103 103 TYR HA H 3.940 . . 881 103 103 TYR HB2 H 2.761 . . 882 103 103 TYR HB3 H 3.178 . . 883 103 103 TYR HD1 H 6.982 . . 884 103 103 TYR HD2 H 6.982 . . 885 103 103 TYR HE1 H 6.600 . . 886 103 103 TYR HE2 H 6.606 . . 887 103 103 TYR CA C 62.609 . . 888 103 103 TYR CB C 38.754 . . 889 103 103 TYR CD1 C 132.410 . . 890 103 103 TYR CD2 C 132.410 . . 891 103 103 TYR CE1 C 117.700 . . 892 103 103 TYR CE2 C 117.700 . . 893 103 103 TYR N N 120.300 . . 894 104 104 ILE H H 8.409 . . 895 104 104 ILE HA H 3.531 . . 896 104 104 ILE HB H 2.040 . . 897 104 104 ILE HG12 H 1.912 . . 898 104 104 ILE HG13 H 0.963 . . 899 104 104 ILE HD1 H 0.964 . . 900 104 104 ILE CA C 66.209 . . 901 104 104 ILE CB C 37.854 . . 902 104 104 ILE CG1 C 30.200 . . 903 104 104 ILE CD1 C 13.500 . . 904 104 104 ILE N N 118.850 . . 905 105 105 GLN H H 7.870 . . 906 105 105 GLN HA H 4.043 . . 907 105 105 GLN HB2 H 1.938 . . 908 105 105 GLN HB3 H 2.113 . . 909 105 105 GLN HG2 H 2.032 . . 910 105 105 GLN HG3 H 1.952 . . 911 105 105 GLN CA C 59.473 . . 912 105 105 GLN CB C 28.042 . . 913 105 105 GLN N N 118.420 . . 914 106 106 VAL H H 8.024 . . 915 106 106 VAL HA H 3.641 . . 916 106 106 VAL HB H 2.028 . . 917 106 106 VAL HG1 H 0.800 . . 918 106 106 VAL HG2 H 0.962 . . 919 106 106 VAL CA C 66.400 . . 920 106 106 VAL CB C 31.610 . . 921 106 106 VAL CG1 C 20.900 . . 922 106 106 VAL CG2 C 22.690 . . 923 106 106 VAL N N 120.200 . . 924 107 107 LEU H H 8.221 . . 925 107 107 LEU HA H 3.883 . . 926 107 107 LEU HB2 H 1.342 . . 927 107 107 LEU HB3 H 1.342 . . 928 107 107 LEU HG H 1.791 . . 929 107 107 LEU HD1 H 0.822 . . 930 107 107 LEU HD2 H 0.845 . . 931 107 107 LEU C C 179.500 . . 932 107 107 LEU CA C 57.936 . . 933 107 107 LEU CB C 41.542 . . 934 107 107 LEU CG C 26.957 . . 935 107 107 LEU CD1 C 22.650 . . 936 107 107 LEU CD2 C 25.550 . . 937 107 107 LEU N N 120.370 . . 938 108 108 GLN H H 8.760 . . 939 108 108 GLN HA H 3.807 . . 940 108 108 GLN HB2 H 1.586 . . 941 108 108 GLN HB3 H 1.586 . . 942 108 108 GLN HG2 H 2.091 . . 943 108 108 GLN HG3 H 2.211 . . 944 108 108 GLN CA C 59.679 . . 945 108 108 GLN CB C 29.170 . . 946 108 108 GLN CG C 33.998 . . 947 108 108 GLN N N 119.500 . . 948 109 109 GLN H H 7.987 . . 949 109 109 GLN HA H 3.981 . . 950 109 109 GLN HB2 H 2.235 . . 951 109 109 GLN HB3 H 2.233 . . 952 109 109 GLN HG2 H 2.535 . . 953 109 109 GLN HG3 H 2.535 . . 954 109 109 GLN CA C 59.248 . . 955 109 109 GLN CB C 28.000 . . 956 109 109 GLN CG C 33.797 . . 957 109 109 GLN N N 117.500 . . 958 110 110 LYS H H 8.137 . . 959 110 110 LYS HA H 4.020 . . 960 110 110 LYS HB2 H 1.912 . . 961 110 110 LYS HB3 H 1.912 . . 962 110 110 LYS HG2 H 1.416 . . 963 110 110 LYS HG3 H 1.416 . . 964 110 110 LYS HD2 H 1.589 . . 965 110 110 LYS HD3 H 1.589 . . 966 110 110 LYS CA C 59.500 . . 967 110 110 LYS CB C 31.760 . . 968 110 110 LYS CG C 24.644 . . 969 110 110 LYS CD C 29.170 . . 970 110 110 LYS N N 119.700 . . 971 111 111 TYR H H 8.031 . . 972 111 111 TYR HA H 4.310 . . 973 111 111 TYR HB2 H 3.117 . . 974 111 111 TYR HB3 H 3.214 . . 975 111 111 TYR HD1 H 7.039 . . 976 111 111 TYR HD2 H 7.031 . . 977 111 111 TYR HE1 H 6.664 . . 978 111 111 TYR HE2 H 6.664 . . 979 111 111 TYR C C 178.887 . . 980 111 111 TYR CA C 60.972 . . 981 111 111 TYR CB C 37.900 . . 982 111 111 TYR CD1 C 132.600 . . 983 111 111 TYR CD2 C 132.600 . . 984 111 111 TYR CE1 C 117.800 . . 985 111 111 TYR CE2 C 117.800 . . 986 111 111 TYR N N 120.900 . . 987 112 112 ILE H H 8.266 . . 988 112 112 ILE HA H 3.416 . . 989 112 112 ILE HB H 1.790 . . 990 112 112 ILE HG12 H 0.997 . . 991 112 112 ILE HG13 H 1.475 . . 992 112 112 ILE HG2 H 0.362 . . 993 112 112 ILE HD1 H 0.758 . . 994 112 112 ILE C C 177.529 . . 995 112 112 ILE CA C 65.200 . . 996 112 112 ILE CB C 37.619 . . 997 112 112 ILE CG1 C 28.700 . . 998 112 112 ILE CG2 C 16.000 . . 999 112 112 ILE CD1 C 13.090 . . 1000 112 112 ILE N N 121.700 . . 1001 113 113 GLU H H 8.436 . . 1002 113 113 GLU HA H 3.844 . . 1003 113 113 GLU HB2 H 2.093 . . 1004 113 113 GLU HB3 H 2.061 . . 1005 113 113 GLU HG2 H 2.425 . . 1006 113 113 GLU HG3 H 2.425 . . 1007 113 113 GLU C C 179.709 . . 1008 113 113 GLU CA C 59.735 . . 1009 113 113 GLU CB C 29.170 . . 1010 113 113 GLU CG C 36.110 . . 1011 113 113 GLU N N 119.338 . . 1012 114 114 ALA H H 7.925 . . 1013 114 114 ALA HA H 4.198 . . 1014 114 114 ALA HB H 1.530 . . 1015 114 114 ALA C C 179.709 . . 1016 114 114 ALA CA C 55.003 . . 1017 114 114 ALA CB C 18.182 . . 1018 114 114 ALA N N 122.200 . . 1019 115 115 ALA H H 7.914 . . 1020 115 115 ALA HA H 4.264 . . 1021 115 115 ALA HB H 1.429 . . 1022 115 115 ALA CA C 55.000 . . 1023 115 115 ALA CB C 18.104 . . 1024 115 115 ALA N N 121.700 . . 1025 116 116 LYS C C 179.245 . . 1026 116 116 LYS CA C 59.593 . . 1027 116 116 LYS CB C 32.617 . . 1028 117 117 ALA H H 7.922 . . 1029 117 117 ALA HA H 4.208 . . 1030 117 117 ALA HB H 1.524 . . 1031 117 117 ALA C C 179.352 . . 1032 117 117 ALA CA C 55.039 . . 1033 117 117 ALA CB C 18.261 . . 1034 117 117 ALA N N 122.100 . . 1035 118 118 GLN H H 7.674 . . 1036 118 118 GLN HA H 4.301 . . 1037 118 118 GLN HB2 H 2.119 . . 1038 118 118 GLN HB3 H 2.119 . . 1039 118 118 GLN C C 176.528 . . 1040 118 118 GLN CA C 56.057 . . 1041 118 118 GLN CB C 29.607 . . 1042 118 118 GLN CG C 33.998 . . 1043 118 118 GLN N N 115.113 . . 1044 119 119 GLY H H 7.941 . . 1045 119 119 GLY HA2 H 3.974 . . 1046 119 119 GLY HA3 H 4.217 . . 1047 119 119 GLY C C 174.741 . . 1048 119 119 GLY CA C 46.040 . . 1049 119 119 GLY N N 107.230 . . 1050 120 120 ASN H H 8.385 . . 1051 120 120 ASN HA H 5.008 . . 1052 120 120 ASN HB2 H 2.800 . . 1053 120 120 ASN HB3 H 2.800 . . 1054 120 120 ASN C C 173.758 . . 1055 120 120 ASN CA C 52.535 . . 1056 120 120 ASN CB C 39.624 . . 1057 120 120 ASN N N 117.212 . . 1058 121 121 TYR H H 7.765 . . 1059 121 121 TYR HA H 5.099 . . 1060 121 121 TYR HB2 H 2.679 . . 1061 121 121 TYR HB3 H 2.680 . . 1062 121 121 TYR HD1 H 8.678 . . 1063 121 121 TYR HD2 H 6.950 . . 1064 121 121 TYR HE1 H 6.735 . . 1065 121 121 TYR HE2 H 6.736 . . 1066 121 121 TYR C C 174.920 . . 1067 121 121 TYR CA C 57.544 . . 1068 121 121 TYR CB C 39.858 . . 1069 121 121 TYR CD1 C 133.400 . . 1070 121 121 TYR CD2 C 133.400 . . 1071 121 121 TYR CE1 C 118.150 . . 1072 121 121 TYR CE2 C 118.150 . . 1073 121 121 TYR N N 120.749 . . 1074 122 122 TYR H H 8.254 . . 1075 122 122 TYR HA H 4.368 . . 1076 122 122 TYR HB2 H 2.600 . . 1077 122 122 TYR HB3 H 2.600 . . 1078 122 122 TYR HD1 H 6.776 . . 1079 122 122 TYR HD2 H 6.776 . . 1080 122 122 TYR HE1 H 6.671 . . 1081 122 122 TYR HE2 H 6.671 . . 1082 122 122 TYR C C 172.596 . . 1083 122 122 TYR CA C 57.074 . . 1084 122 122 TYR CB C 40.093 . . 1085 122 122 TYR CD1 C 132.990 . . 1086 122 122 TYR CD2 C 132.990 . . 1087 122 122 TYR CE1 C 117.760 . . 1088 122 122 TYR CE2 C 117.760 . . 1089 122 122 TYR N N 128.580 . . 1090 123 123 ASP H H 7.907 . . 1091 123 123 ASP HA H 4.469 . . 1092 123 123 ASP HB2 H 2.538 . . 1093 123 123 ASP HB3 H 2.769 . . 1094 123 123 ASP C C 175.742 . . 1095 123 123 ASP CA C 53.396 . . 1096 123 123 ASP CB C 41.893 . . 1097 123 123 ASP N N 123.786 . . 1098 124 124 GLU H H 8.375 . . 1099 124 124 GLU HA H 4.097 . . 1100 124 124 GLU HB2 H 2.014 . . 1101 124 124 GLU HB3 H 2.085 . . 1102 124 124 GLU HG2 H 2.283 . . 1103 124 124 GLU HG3 H 2.283 . . 1104 124 124 GLU C C 176.850 . . 1105 124 124 GLU CA C 57.622 . . 1106 124 124 GLU CB C 30.312 . . 1107 124 124 GLU CG C 36.370 . . 1108 124 124 GLU N N 123.394 . . 1109 125 125 THR H H 8.245 . . 1110 125 125 THR HA H 4.246 . . 1111 125 125 THR HB H 4.250 . . 1112 125 125 THR HG2 H 1.209 . . 1113 125 125 THR C C 174.812 . . 1114 125 125 THR CA C 62.865 . . 1115 125 125 THR CB C 69.516 . . 1116 125 125 THR CG2 C 21.706 . . 1117 125 125 THR N N 113.423 . . 1118 126 126 ALA H H 7.870 . . 1119 126 126 ALA HA H 4.324 . . 1120 126 126 ALA HB H 1.368 . . 1121 126 126 ALA C C 177.886 . . 1122 126 126 ALA CA C 52.848 . . 1123 126 126 ALA CB C 19.121 . . 1124 126 126 ALA N N 125.833 . . 1125 127 127 VAL H H 7.818 . . 1126 127 127 VAL HA H 4.005 . . 1127 127 127 VAL HB H 2.054 . . 1128 127 127 VAL HG1 H 0.923 . . 1129 127 127 VAL HG2 H 0.923 . . 1130 127 127 VAL C C 176.814 . . 1131 127 127 VAL CA C 63.021 . . 1132 127 127 VAL CB C 32.659 . . 1133 127 127 VAL CG1 C 21.092 . . 1134 127 127 VAL CG2 C 21.104 . . 1135 127 127 VAL N N 118.557 . . 1136 128 128 GLU H H 8.280 . . 1137 128 128 GLU HA H 4.220 . . 1138 128 128 GLU HB2 H 1.960 . . 1139 128 128 GLU HB3 H 2.064 . . 1140 128 128 GLU HG2 H 2.278 . . 1141 128 128 GLU HG3 H 2.278 . . 1142 128 128 GLU C C 176.707 . . 1143 128 128 GLU CA C 57.152 . . 1144 128 128 GLU CB C 29.999 . . 1145 128 128 GLU CG C 36.269 . . 1146 128 128 GLU N N 123.233 . . 1147 129 129 ALA H H 8.124 . . 1148 129 129 ALA HA H 4.272 . . 1149 129 129 ALA HB H 1.385 . . 1150 129 129 ALA C C 177.690 . . 1151 129 129 ALA CA C 53.161 . . 1152 129 129 ALA CB C 19.278 . . 1153 129 129 ALA N N 123.954 . . 1154 130 130 ASN H H 8.198 . . 1155 130 130 ASN HA H 4.694 . . 1156 130 130 ASN HB2 H 2.787 . . 1157 130 130 ASN HB3 H 2.849 . . 1158 130 130 ASN C C 175.170 . . 1159 130 130 ASN CA C 53.396 . . 1160 130 130 ASN CB C 38.998 . . 1161 130 130 ASN N N 116.986 . . 1162 131 131 ARG H H 7.979 . . 1163 131 131 ARG HA H 4.552 . . 1164 131 131 ARG HB2 H 1.755 . . 1165 131 131 ARG HB3 H 1.884 . . 1166 131 131 ARG HG2 H 1.721 . . 1167 131 131 ARG HG3 H 1.721 . . 1168 131 131 ARG C C 176.993 . . 1169 131 131 ARG CA C 56.057 . . 1170 131 131 ARG CB C 31.564 . . 1171 131 131 ARG CG C 27.130 . . 1172 131 131 ARG CD C 43.352 . . 1173 131 131 ARG N N 121.064 . . 1174 132 132 THR H H 8.338 . . 1175 132 132 THR HA H 4.340 . . 1176 132 132 THR HB H 4.633 . . 1177 132 132 THR HG2 H 1.292 . . 1178 132 132 THR C C 175.563 . . 1179 132 132 THR CA C 61.868 . . 1180 132 132 THR CB C 70.505 . . 1181 132 132 THR CG2 C 21.405 . . 1182 132 132 THR N N 114.532 . . 1183 133 133 ASN H H 8.832 . . 1184 133 133 ASN HA H 4.365 . . 1185 133 133 ASN HB2 H 2.423 . . 1186 133 133 ASN HB3 H 2.751 . . 1187 133 133 ASN C C 176.689 . . 1188 133 133 ASN CA C 56.135 . . 1189 133 133 ASN CB C 38.293 . . 1190 133 133 ASN N N 120.000 . . 1191 134 134 GLU H H 9.942 . . 1192 134 134 GLU HA H 3.507 . . 1193 134 134 GLU HB2 H 1.939 . . 1194 134 134 GLU HB3 H 2.065 . . 1195 134 134 GLU HG2 H 2.635 . . 1196 134 134 GLU HG3 H 2.172 . . 1197 134 134 GLU C C 178.351 . . 1198 134 134 GLU CA C 61.691 . . 1199 134 134 GLU CB C 28.981 . . 1200 134 134 GLU CG C 38.178 . . 1201 134 134 GLU N N 119.110 . . 1202 135 135 GLN H H 7.738 . . 1203 135 135 GLN HA H 3.938 . . 1204 135 135 GLN HB2 H 2.017 . . 1205 135 135 GLN HB3 H 2.215 . . 1206 135 135 GLN HG2 H 2.441 . . 1207 135 135 GLN HG3 H 2.441 . . 1208 135 135 GLN C C 177.565 . . 1209 135 135 GLN CA C 58.248 . . 1210 135 135 GLN CB C 28.903 . . 1211 135 135 GLN CG C 34.160 . . 1212 135 135 GLN N N 118.592 . . 1213 136 136 ARG H H 8.095 . . 1214 136 136 ARG HA H 3.980 . . 1215 136 136 ARG HB2 H 1.814 . . 1216 136 136 ARG HB3 H 1.914 . . 1217 136 136 ARG HG2 H 1.570 . . 1218 136 136 ARG HG3 H 1.570 . . 1219 136 136 ARG HD2 H 3.169 . . 1220 136 136 ARG HD3 H 3.169 . . 1221 136 136 ARG C C 178.762 . . 1222 136 136 ARG CA C 59.578 . . 1223 136 136 ARG CB C 30.077 . . 1224 136 136 ARG CG C 27.331 . . 1225 136 136 ARG CD C 43.199 . . 1226 136 136 ARG N N 119.800 . . 1227 137 137 ILE H H 8.019 . . 1228 137 137 ILE HA H 3.649 . . 1229 137 137 ILE HB H 1.552 . . 1230 137 137 ILE HG12 H 0.726 . . 1231 137 137 ILE HG13 H 0.726 . . 1232 137 137 ILE HG2 H 0.671 . . 1233 137 137 ILE HD1 H 0.137 . . 1234 137 137 ILE C C 177.940 . . 1235 137 137 ILE CA C 65.000 . . 1236 137 137 ILE CB C 38.237 . . 1237 137 137 ILE CG1 C 29.440 . . 1238 137 137 ILE CG2 C 18.006 . . 1239 137 137 ILE CD1 C 13.480 . . 1240 137 137 ILE N N 118.994 . . 1241 138 138 ALA H H 7.783 . . 1242 138 138 ALA HA H 3.687 . . 1243 138 138 ALA HB H 1.466 . . 1244 138 138 ALA C C 180.156 . . 1245 138 138 ALA CA C 55.665 . . 1246 138 138 ALA CB C 18.261 . . 1247 138 138 ALA N N 121.262 . . 1248 139 139 ASP H H 8.622 . . 1249 139 139 ASP HA H 4.391 . . 1250 139 139 ASP HB2 H 2.646 . . 1251 139 139 ASP HB3 H 2.863 . . 1252 139 139 ASP C C 179.370 . . 1253 139 139 ASP CA C 57.465 . . 1254 139 139 ASP CB C 40.015 . . 1255 139 139 ASP N N 119.579 . . 1256 140 140 ASP H H 8.276 . . 1257 140 140 ASP HA H 4.488 . . 1258 140 140 ASP HB2 H 2.654 . . 1259 140 140 ASP HB3 H 2.858 . . 1260 140 140 ASP C C 178.887 . . 1261 140 140 ASP CA C 57.544 . . 1262 140 140 ASP CB C 40.171 . . 1263 140 140 ASP N N 122.871 . . 1264 141 141 ILE H H 8.358 . . 1265 141 141 ILE HA H 3.798 . . 1266 141 141 ILE HB H 1.874 . . 1267 141 141 ILE HG12 H 1.306 . . 1268 141 141 ILE HG13 H 1.307 . . 1269 141 141 ILE HG2 H 0.824 . . 1270 141 141 ILE HD1 H 0.679 . . 1271 141 141 ILE C C 180.478 . . 1272 141 141 ILE CA C 64.591 . . 1273 141 141 ILE CB C 36.885 . . 1274 141 141 ILE CG1 C 29.038 . . 1275 141 141 ILE CG2 C 18.191 . . 1276 141 141 ILE CD1 C 12.667 . . 1277 141 141 ILE N N 120.595 . . 1278 142 142 LYS H H 8.709 . . 1279 142 142 LYS HA H 4.291 . . 1280 142 142 LYS HB2 H 2.118 . . 1281 142 142 LYS HB3 H 2.118 . . 1282 142 142 LYS HG2 H 1.193 . . 1283 142 142 LYS HG3 H 1.193 . . 1284 142 142 LYS HD2 H 1.600 . . 1285 142 142 LYS HD3 H 1.599 . . 1286 142 142 LYS HE2 H 2.890 . . 1287 142 142 LYS HE3 H 2.894 . . 1288 142 142 LYS C C 179.781 . . 1289 142 142 LYS CA C 59.578 . . 1290 142 142 LYS CB C 31.877 . . 1291 142 142 LYS CG C 24.720 . . 1292 142 142 LYS CD C 29.038 . . 1293 142 142 LYS CE C 42.295 . . 1294 142 142 LYS N N 126.246 . . 1295 143 143 ALA H H 8.098 . . 1296 143 143 ALA HA H 4.127 . . 1297 143 143 ALA HB H 1.608 . . 1298 143 143 ALA C C 179.745 . . 1299 143 143 ALA CA C 55.744 . . 1300 143 143 ALA CB C 18.417 . . 1301 143 143 ALA N N 122.212 . . 1302 144 144 GLN H H 7.910 . . 1303 144 144 GLN HA H 4.275 . . 1304 144 144 GLN HB2 H 2.151 . . 1305 144 144 GLN HB3 H 2.235 . . 1306 144 144 GLN HG2 H 2.597 . . 1307 144 144 GLN HG3 H 2.433 . . 1308 144 144 GLN C C 178.119 . . 1309 144 144 GLN CA C 58.113 . . 1310 144 144 GLN CB C 30.432 . . 1311 144 144 GLN CG C 34.060 . . 1312 144 144 GLN N N 114.053 . . 1313 145 145 THR H H 8.291 . . 1314 145 145 THR HA H 4.634 . . 1315 145 145 THR HB H 4.269 . . 1316 145 145 THR HG2 H 1.302 . . 1317 145 145 THR C C 176.117 . . 1318 145 145 THR CA C 62.282 . . 1319 145 145 THR CB C 73.216 . . 1320 145 145 THR CG2 C 21.305 . . 1321 145 145 THR N N 105.901 . . 1322 146 146 GLY H H 8.619 . . 1323 146 146 GLY HA2 H 3.852 . . 1324 146 146 GLY HA3 H 4.267 . . 1325 146 146 GLY C C 173.865 . . 1326 146 146 GLY CA C 45.900 . . 1327 146 146 GLY N N 112.375 . . 1328 147 147 LYS H H 7.796 . . 1329 147 147 LYS HA H 4.414 . . 1330 147 147 LYS HB2 H 1.564 . . 1331 147 147 LYS HB3 H 1.673 . . 1332 147 147 LYS HG2 H 1.361 . . 1333 147 147 LYS HG3 H 1.361 . . 1334 147 147 LYS HD2 H 1.677 . . 1335 147 147 LYS HD3 H 1.677 . . 1336 147 147 LYS C C 174.598 . . 1337 147 147 LYS CA C 55.509 . . 1338 147 147 LYS CB C 34.146 . . 1339 147 147 LYS CG C 24.800 . . 1340 147 147 LYS CD C 29.100 . . 1341 147 147 LYS CE C 41.894 . . 1342 147 147 LYS N N 121.200 . . 1343 148 148 ASP H H 8.256 . . 1344 148 148 ASP HA H 4.693 . . 1345 148 148 ASP HB2 H 2.518 . . 1346 148 148 ASP HB3 H 2.636 . . 1347 148 148 ASP C C 176.063 . . 1348 148 148 ASP CA C 54.766 . . 1349 148 148 ASP CB C 41.267 . . 1350 148 148 ASP N N 120.680 . . 1351 149 149 VAL H H 7.888 . . 1352 149 149 VAL HA H 5.101 . . 1353 149 149 VAL HB H 2.179 . . 1354 149 149 VAL HG1 H 0.694 . . 1355 149 149 VAL HG2 H 0.618 . . 1356 149 149 VAL C C 175.724 . . 1357 149 149 VAL CA C 59.030 . . 1358 149 149 VAL CB C 35.242 . . 1359 149 149 VAL CG1 C 18.191 . . 1360 149 149 VAL CG2 C 21.506 . . 1361 149 149 VAL N N 115.182 . . 1362 150 150 THR H H 8.940 . . 1363 150 150 THR HA H 4.572 . . 1364 150 150 THR HB H 4.033 . . 1365 150 150 THR HG2 H 1.158 . . 1366 150 150 THR C C 173.651 . . 1367 150 150 THR CA C 60.763 . . 1368 150 150 THR CB C 71.473 . . 1369 150 150 THR CG2 C 21.405 . . 1370 150 150 THR N N 112.923 . . 1371 151 151 VAL H H 8.557 . . 1372 151 151 VAL HA H 5.090 . . 1373 151 151 VAL HB H 1.978 . . 1374 151 151 VAL HG1 H 0.849 . . 1375 151 151 VAL HG2 H 0.901 . . 1376 151 151 VAL C C 174.920 . . 1377 151 151 VAL CA C 61.221 . . 1378 151 151 VAL CB C 34.381 . . 1379 151 151 VAL CG1 C 21.900 . . 1380 151 151 VAL CG2 C 23.012 . . 1381 151 151 VAL N N 124.066 . . 1382 152 152 THR H H 8.681 . . 1383 152 152 THR HA H 4.813 . . 1384 152 152 THR HB H 4.067 . . 1385 152 152 THR HG2 H 1.216 . . 1386 152 152 THR C C 172.971 . . 1387 152 152 THR CA C 60.048 . . 1388 152 152 THR CB C 71.942 . . 1389 152 152 THR CG2 C 21.506 . . 1390 152 152 THR N N 119.948 . . 1391 153 153 LYS H H 8.904 . . 1392 153 153 LYS HA H 4.797 . . 1393 153 153 LYS HB2 H 1.595 . . 1394 153 153 LYS HB3 H 1.699 . . 1395 153 153 LYS HG2 H 1.284 . . 1396 153 153 LYS HG3 H 1.284 . . 1397 153 153 LYS HD2 H 1.577 . . 1398 153 153 LYS HD3 H 1.577 . . 1399 153 153 LYS HE2 H 2.872 . . 1400 153 153 LYS HE3 H 2.872 . . 1401 153 153 LYS C C 176.957 . . 1402 153 153 LYS CA C 56.057 . . 1403 153 153 LYS CB C 33.989 . . 1404 153 153 LYS CG C 24.418 . . 1405 153 153 LYS CD C 29.339 . . 1406 153 153 LYS CE C 41.693 . . 1407 153 153 LYS N N 126.097 . . 1408 154 154 ASP H H 8.899 . . 1409 154 154 ASP HA H 4.758 . . 1410 154 154 ASP HB2 H 2.526 . . 1411 154 154 ASP HB3 H 3.188 . . 1412 154 154 ASP C C 178.369 . . 1413 154 154 ASP CA C 52.144 . . 1414 154 154 ASP CB C 41.893 . . 1415 154 154 ASP N N 126.932 . . 1416 155 155 GLU H H 8.958 . . 1417 155 155 GLU HA H 4.114 . . 1418 155 155 GLU HB2 H 2.055 . . 1419 155 155 GLU HB3 H 2.055 . . 1420 155 155 GLU HG2 H 2.287 . . 1421 155 155 GLU HG3 H 2.287 . . 1422 155 155 GLU C C 176.993 . . 1423 155 155 GLU CA C 58.483 . . 1424 155 155 GLU CB C 28.903 . . 1425 155 155 GLU CG C 36.069 . . 1426 155 155 GLU N N 117.383 . . 1427 156 156 ASN H H 8.307 . . 1428 156 156 ASN HA H 4.833 . . 1429 156 156 ASN HB2 H 2.873 . . 1430 156 156 ASN HB3 H 2.873 . . 1431 156 156 ASN C C 175.313 . . 1432 156 156 ASN CA C 53.083 . . 1433 156 156 ASN CB C 39.780 . . 1434 156 156 ASN N N 117.161 . . 1435 157 157 GLY H H 7.939 . . 1436 157 157 GLY HA2 H 3.319 . . 1437 157 157 GLY HA3 H 4.141 . . 1438 157 157 GLY C C 173.686 . . 1439 157 157 GLY CA C 45.493 . . 1440 157 157 GLY N N 107.963 . . 1441 158 158 ASN H H 8.155 . . 1442 158 158 ASN HA H 4.756 . . 1443 158 158 ASN HB2 H 2.546 . . 1444 158 158 ASN HB3 H 2.807 . . 1445 158 158 ASN C C 172.971 . . 1446 158 158 ASN CA C 52.144 . . 1447 158 158 ASN CB C 39.076 . . 1448 158 158 ASN N N 118.122 . . 1449 159 159 TYR H H 9.151 . . 1450 159 159 TYR HA H 4.908 . . 1451 159 159 TYR HB2 H 2.452 . . 1452 159 159 TYR HB3 H 2.777 . . 1453 159 159 TYR HD1 H 6.768 . . 1454 159 159 TYR HD2 H 6.766 . . 1455 159 159 TYR HE1 H 6.665 . . 1456 159 159 TYR HE2 H 6.665 . . 1457 159 159 TYR C C 174.580 . . 1458 159 159 TYR CA C 57.778 . . 1459 159 159 TYR CB C 39.154 . . 1460 159 159 TYR CD1 C 132.990 . . 1461 159 159 TYR CD2 C 132.990 . . 1462 159 159 TYR CE1 C 117.600 . . 1463 159 159 TYR CE2 C 117.600 . . 1464 159 159 TYR N N 116.771 . . 1465 160 160 VAL H H 9.212 . . 1466 160 160 VAL HA H 4.384 . . 1467 160 160 VAL HB H 2.039 . . 1468 160 160 VAL HG1 H 0.998 . . 1469 160 160 VAL HG2 H 0.998 . . 1470 160 160 VAL C C 175.170 . . 1471 160 160 VAL CA C 62.473 . . 1472 160 160 VAL CB C 33.129 . . 1473 160 160 VAL CG1 C 21.807 . . 1474 160 160 VAL CG2 C 21.807 . . 1475 160 160 VAL N N 124.539 . . 1476 161 161 VAL H H 8.899 . . 1477 161 161 VAL HA H 4.745 . . 1478 161 161 VAL HB H 2.167 . . 1479 161 161 VAL HG1 H 0.848 . . 1480 161 161 VAL HG2 H 0.799 . . 1481 161 161 VAL C C 175.563 . . 1482 161 161 VAL CA C 61.265 . . 1483 161 161 VAL CB C 32.140 . . 1484 161 161 VAL CG1 C 21.606 . . 1485 161 161 VAL CG2 C 20.602 . . 1486 161 161 VAL N N 129.254 . . 1487 162 162 LYS H H 9.104 . . 1488 162 162 LYS HA H 5.566 . . 1489 162 162 LYS HB2 H 1.577 . . 1490 162 162 LYS HB3 H 1.639 . . 1491 162 162 LYS HG2 H 1.073 . . 1492 162 162 LYS HG3 H 1.314 . . 1493 162 162 LYS HD2 H 1.543 . . 1494 162 162 LYS HD3 H 1.543 . . 1495 162 162 LYS HE2 H 2.764 . . 1496 162 162 LYS HE3 H 2.764 . . 1497 162 162 LYS C C 175.974 . . 1498 162 162 LYS CA C 54.570 . . 1499 162 162 LYS CB C 37.374 . . 1500 162 162 LYS CG C 26.226 . . 1501 162 162 LYS CD C 29.673 . . 1502 162 162 LYS CE C 41.843 . . 1503 162 162 LYS N N 126.871 . . 1504 163 163 ASP H H 8.490 . . 1505 163 163 ASP HA H 4.831 . . 1506 163 163 ASP HB2 H 2.538 . . 1507 163 163 ASP HB3 H 3.453 . . 1508 163 163 ASP C C 178.530 . . 1509 163 163 ASP CA C 51.988 . . 1510 163 163 ASP CB C 41.345 . . 1511 163 163 ASP N N 118.832 . . 1512 164 164 GLU H H 9.261 . . 1513 164 164 GLU HA H 4.204 . . 1514 164 164 GLU HB2 H 2.147 . . 1515 164 164 GLU HB3 H 2.155 . . 1516 164 164 GLU HG2 H 2.575 . . 1517 164 164 GLU HG3 H 2.555 . . 1518 164 164 GLU C C 177.386 . . 1519 164 164 GLU CA C 58.717 . . 1520 164 164 GLU CB C 29.038 . . 1521 164 164 GLU CG C 36.110 . . 1522 164 164 GLU N N 118.360 . . 1523 165 165 LYS H H 7.922 . . 1524 165 165 LYS HA H 4.422 . . 1525 165 165 LYS HB2 H 1.800 . . 1526 165 165 LYS HB3 H 2.035 . . 1527 165 165 LYS HG2 H 1.419 . . 1528 165 165 LYS HG3 H 1.419 . . 1529 165 165 LYS HD2 H 2.523 . . 1530 165 165 LYS HD3 H 2.523 . . 1531 165 165 LYS HE2 H 3.000 . . 1532 165 165 LYS HE3 H 3.004 . . 1533 165 165 LYS C C 176.742 . . 1534 165 165 LYS CA C 55.509 . . 1535 165 165 LYS CB C 32.659 . . 1536 165 165 LYS CG C 25.021 . . 1537 165 165 LYS CD C 42.044 . . 1538 165 165 LYS CE C 42.044 . . 1539 165 165 LYS N N 119.039 . . 1540 166 166 GLY H H 8.134 . . 1541 166 166 GLY HA2 H 3.533 . . 1542 166 166 GLY HA3 H 4.251 . . 1543 166 166 GLY C C 174.205 . . 1544 166 166 GLY CA C 45.336 . . 1545 166 166 GLY N N 107.804 . . 1546 167 167 ASN H H 8.522 . . 1547 167 167 ASN HA H 4.656 . . 1548 167 167 ASN HB2 H 2.534 . . 1549 167 167 ASN HB3 H 2.847 . . 1550 167 167 ASN C C 175.331 . . 1551 167 167 ASN CA C 53.030 . . 1552 167 167 ASN CB C 38.606 . . 1553 167 167 ASN N N 119.927 . . 1554 168 168 VAL H H 8.775 . . 1555 168 168 VAL HA H 4.063 . . 1556 168 168 VAL HB H 1.986 . . 1557 168 168 VAL HG1 H 0.844 . . 1558 168 168 VAL HG2 H 0.946 . . 1559 168 168 VAL C C 176.921 . . 1560 168 168 VAL CA C 64.117 . . 1561 168 168 VAL CB C 31.642 . . 1562 168 168 VAL CG1 C 21.506 . . 1563 168 168 VAL CG2 C 22.008 . . 1564 168 168 VAL N N 123.033 . . 1565 169 169 VAL H H 9.298 . . 1566 169 169 VAL HA H 4.180 . . 1567 169 169 VAL HB H 1.944 . . 1568 169 169 VAL HG1 H 0.823 . . 1569 169 169 VAL HG2 H 0.896 . . 1570 169 169 VAL C C 175.938 . . 1571 169 169 VAL CA C 62.370 . . 1572 169 169 VAL CB C 33.244 . . 1573 169 169 VAL CG1 C 20.702 . . 1574 169 169 VAL CG2 C 21.204 . . 1575 169 169 VAL N N 126.838 . . 1576 170 170 ALA H H 7.804 . . 1577 170 170 ALA HA H 4.572 . . 1578 170 170 ALA HB H 1.292 . . 1579 170 170 ALA C C 174.794 . . 1580 170 170 ALA CA C 52.144 . . 1581 170 170 ALA CB C 21.939 . . 1582 170 170 ALA N N 120.267 . . 1583 171 171 THR H H 8.296 . . 1584 171 171 THR HA H 5.149 . . 1585 171 171 THR HB H 3.963 . . 1586 171 171 THR HG2 H 1.089 . . 1587 171 171 THR C C 173.847 . . 1588 171 171 THR CA C 62.395 . . 1589 171 171 THR CB C 70.405 . . 1590 171 171 THR CG2 C 21.293 . . 1591 171 171 THR N N 115.699 . . 1592 172 172 VAL H H 9.435 . . 1593 172 172 VAL HA H 5.050 . . 1594 172 172 VAL HB H 1.913 . . 1595 172 172 VAL HG1 H 0.858 . . 1596 172 172 VAL HG2 H 0.785 . . 1597 172 172 VAL C C 174.580 . . 1598 172 172 VAL CA C 59.343 . . 1599 172 172 VAL CB C 35.868 . . 1600 172 172 VAL CG1 C 19.899 . . 1601 172 172 VAL CG2 C 21.104 . . 1602 172 172 VAL N N 121.997 . . 1603 173 173 ASP H H 8.729 . . 1604 173 173 ASP HA H 4.947 . . 1605 173 173 ASP HB2 H 2.686 . . 1606 173 173 ASP HB3 H 3.176 . . 1607 173 173 ASP C C 177.868 . . 1608 173 173 ASP CA C 52.535 . . 1609 173 173 ASP CB C 42.284 . . 1610 173 173 ASP N N 122.548 . . 1611 174 174 LYS H H 8.194 . . 1612 174 174 LYS HA H 4.050 . . 1613 174 174 LYS HB2 H 1.900 . . 1614 174 174 LYS HB3 H 1.900 . . 1615 174 174 LYS HG2 H 1.338 . . 1616 174 174 LYS HG3 H 1.463 . . 1617 174 174 LYS HD2 H 1.680 . . 1618 174 174 LYS HD3 H 1.680 . . 1619 174 174 LYS HE2 H 2.990 . . 1620 174 174 LYS HE3 H 2.990 . . 1621 174 174 LYS C C 176.385 . . 1622 174 174 LYS CA C 58.554 . . 1623 174 174 LYS CB C 32.033 . . 1624 174 174 LYS CG C 23.615 . . 1625 174 174 LYS CD C 29.139 . . 1626 174 174 LYS CE C 41.994 . . 1627 174 174 LYS N N 115.412 . . 1628 175 175 ASP H H 8.226 . . 1629 175 175 ASP HA H 4.784 . . 1630 175 175 ASP HB2 H 2.699 . . 1631 175 175 ASP HB3 H 2.864 . . 1632 175 175 ASP C C 176.814 . . 1633 175 175 ASP CA C 54.257 . . 1634 175 175 ASP CB C 41.815 . . 1635 175 175 ASP N N 119.119 . . 1636 176 176 GLY H H 8.599 . . 1637 176 176 GLY HA2 H 3.400 . . 1638 176 176 GLY HA3 H 4.141 . . 1639 176 176 GLY C C 173.829 . . 1640 176 176 GLY CA C 45.414 . . 1641 176 176 GLY N N 109.200 . . 1642 177 177 LYS H H 8.380 . . 1643 177 177 LYS HA H 4.422 . . 1644 177 177 LYS HB2 H 1.804 . . 1645 177 177 LYS HB3 H 1.934 . . 1646 177 177 LYS HG2 H 1.358 . . 1647 177 177 LYS HG3 H 1.358 . . 1648 177 177 LYS HD2 H 1.669 . . 1649 177 177 LYS HD3 H 1.669 . . 1650 177 177 LYS HE2 H 3.004 . . 1651 177 177 LYS HE3 H 3.004 . . 1652 177 177 LYS C C 176.546 . . 1653 177 177 LYS CA C 55.822 . . 1654 177 177 LYS CB C 32.972 . . 1655 177 177 LYS CG C 24.720 . . 1656 177 177 LYS CD C 28.969 . . 1657 177 177 LYS CE C 41.894 . . 1658 177 177 LYS N N 121.696 . . 1659 178 178 THR H H 8.559 . . 1660 178 178 THR HA H 4.333 . . 1661 178 178 THR HB H 4.086 . . 1662 178 178 THR HG2 H 1.220 . . 1663 178 178 THR C C 174.616 . . 1664 178 178 THR CA C 63.725 . . 1665 178 178 THR CB C 69.360 . . 1666 178 178 THR CG2 C 21.907 . . 1667 178 178 THR N N 118.845 . . 1668 179 179 VAL H H 8.470 . . 1669 179 179 VAL HA H 4.191 . . 1670 179 179 VAL HB H 1.948 . . 1671 179 179 VAL HG1 H 0.838 . . 1672 179 179 VAL HG2 H 0.838 . . 1673 179 179 VAL C C 175.634 . . 1674 179 179 VAL CA C 62.069 . . 1675 179 179 VAL CB C 32.972 . . 1676 179 179 VAL CG1 C 21.003 . . 1677 179 179 VAL CG2 C 21.003 . . 1678 179 179 VAL N N 126.292 . . 1679 180 180 LYS H H 8.390 . . 1680 180 180 LYS HA H 4.358 . . 1681 180 180 LYS HB2 H 1.727 . . 1682 180 180 LYS HB3 H 1.827 . . 1683 180 180 LYS HG2 H 1.429 . . 1684 180 180 LYS HG3 H 1.409 . . 1685 180 180 LYS C C 175.849 . . 1686 180 180 LYS CA C 55.900 . . 1687 180 180 LYS CB C 33.207 . . 1688 180 180 LYS CG C 24.846 . . 1689 180 180 LYS CD C 29.070 . . 1690 180 180 LYS CE C 42.044 . . 1691 180 180 LYS N N 126.287 . . 1692 181 181 ALA H H 8.308 . . 1693 181 181 ALA HA H 4.321 . . 1694 181 181 ALA HB H 1.373 . . 1695 181 181 ALA C C 177.171 . . 1696 181 181 ALA CA C 52.535 . . 1697 181 181 ALA CB C 19.513 . . 1698 181 181 ALA N N 126.437 . . 1699 182 182 ASP H H 8.278 . . 1700 182 182 ASP HA H 4.559 . . 1701 182 182 ASP HB2 H 2.661 . . 1702 182 182 ASP HB3 H 2.661 . . 1703 182 182 ASP C C 175.938 . . 1704 182 182 ASP CA C 54.100 . . 1705 182 182 ASP CB C 41.423 . . 1706 182 182 ASP N N 119.679 . . 1707 183 183 ALA H H 8.123 . . 1708 183 183 ALA HA H 4.321 . . 1709 183 183 ALA HB H 1.368 . . 1710 183 183 ALA C C 177.600 . . 1711 183 183 ALA CA C 52.692 . . 1712 183 183 ALA CB C 19.385 . . 1713 183 183 ALA N N 124.559 . . 1714 184 184 LYS H H 8.212 . . 1715 184 184 LYS HA H 4.351 . . 1716 184 184 LYS HB2 H 1.822 . . 1717 184 184 LYS HB3 H 1.822 . . 1718 184 184 LYS HG2 H 1.418 . . 1719 184 184 LYS HG3 H 1.410 . . 1720 184 184 LYS HD2 H 1.800 . . 1721 184 184 LYS HD3 H 1.800 . . 1722 184 184 LYS HE2 H 2.869 . . 1723 184 184 LYS HE3 H 2.869 . . 1724 184 184 LYS C C 176.224 . . 1725 184 184 LYS CA C 56.490 . . 1726 184 184 LYS CB C 32.894 . . 1727 184 184 LYS CG C 24.820 . . 1728 184 184 LYS CD C 29.139 . . 1729 184 184 LYS CE C 41.894 . . 1730 184 184 LYS N N 120.282 . . 1731 185 185 ALA H H 8.196 . . 1732 185 185 ALA HA H 4.356 . . 1733 185 185 ALA HB H 1.410 . . 1734 185 185 ALA C C 177.028 . . 1735 185 185 ALA CA C 52.301 . . 1736 185 185 ALA CB C 19.826 . . 1737 185 185 ALA N N 125.674 . . 1738 186 186 GLY H H 7.850 . . 1739 186 186 GLY C C 178.923 . . 1740 186 186 GLY CA C 46.100 . . 1741 186 186 GLY N N 114.535 . . stop_ save_