data_15369 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Maize Ribosome-Inactivating protein (MOD) ; _BMRB_accession_number 15369 _BMRB_flat_file_name bmr15369.str _Entry_type original _Submission_date 2007-07-07 _Accession_date 2007-07-07 _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 Yang Yinhua . . 2 Mak 'Amanda Nga-Sze' . . 3 Shaw Pang-Chui . . 4 SZE 'Kong Hung' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1420 "13C chemical shifts" 1009 "15N chemical shifts" 241 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'correct entry citation' 2008-01-30 update BMRB 'complete entry citation' 2007-10-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N backbone and side chain resonance assignments of a 28 kDa active mutant of maize ribosome-inactivating protein (MOD)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636861 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yinhua . . 2 Mak 'Amanda Nga-Sze' . . 3 Shaw Pang-Chui . . 4 Sze 'Kong Hung' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 189 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ribosome-inactivating proteins (RIP)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'maize ribosome-inactivating proteins (RIP)' $MOD 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_MOD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MOD _Molecular_mass 27859 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MKRIVPKFTEIFPVEDANYP YSAFIASVRKDVIKHCTDHK GIFQPVLPPEKKVPELWLYT ELKTRTSSITLAIRMDNLYL VGFRTPGGVWWEFGKDGDTH LLGDNPRWLGFGGRYQDLIG NKGLETVTMGRAEMTRAVND LAKKKKMLEPQADTKSKLVK LVVMVCEGLRFNTVSRTVDA GFNSQHGVTLTVTQGKQVQK WDRISKAAFEWADHPTAVIP DMQKLGIKDKNEAARIVALV KNQTTAAA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ARG 4 ILE 5 VAL 6 PRO 7 LYS 8 PHE 9 THR 10 GLU 11 ILE 12 PHE 13 PRO 14 VAL 15 GLU 16 ASP 17 ALA 18 ASN 19 TYR 20 PRO 21 TYR 22 SER 23 ALA 24 PHE 25 ILE 26 ALA 27 SER 28 VAL 29 ARG 30 LYS 31 ASP 32 VAL 33 ILE 34 LYS 35 HIS 36 CYS 37 THR 38 ASP 39 HIS 40 LYS 41 GLY 42 ILE 43 PHE 44 GLN 45 PRO 46 VAL 47 LEU 48 PRO 49 PRO 50 GLU 51 LYS 52 LYS 53 VAL 54 PRO 55 GLU 56 LEU 57 TRP 58 LEU 59 TYR 60 THR 61 GLU 62 LEU 63 LYS 64 THR 65 ARG 66 THR 67 SER 68 SER 69 ILE 70 THR 71 LEU 72 ALA 73 ILE 74 ARG 75 MET 76 ASP 77 ASN 78 LEU 79 TYR 80 LEU 81 VAL 82 GLY 83 PHE 84 ARG 85 THR 86 PRO 87 GLY 88 GLY 89 VAL 90 TRP 91 TRP 92 GLU 93 PHE 94 GLY 95 LYS 96 ASP 97 GLY 98 ASP 99 THR 100 HIS 101 LEU 102 LEU 103 GLY 104 ASP 105 ASN 106 PRO 107 ARG 108 TRP 109 LEU 110 GLY 111 PHE 112 GLY 113 GLY 114 ARG 115 TYR 116 GLN 117 ASP 118 LEU 119 ILE 120 GLY 121 ASN 122 LYS 123 GLY 124 LEU 125 GLU 126 THR 127 VAL 128 THR 129 MET 130 GLY 131 ARG 132 ALA 133 GLU 134 MET 135 THR 136 ARG 137 ALA 138 VAL 139 ASN 140 ASP 141 LEU 142 ALA 143 LYS 144 LYS 145 LYS 146 LYS 147 MET 148 LEU 149 GLU 150 PRO 151 GLN 152 ALA 153 ASP 154 THR 155 LYS 156 SER 157 LYS 158 LEU 159 VAL 160 LYS 161 LEU 162 VAL 163 VAL 164 MET 165 VAL 166 CYS 167 GLU 168 GLY 169 LEU 170 ARG 171 PHE 172 ASN 173 THR 174 VAL 175 SER 176 ARG 177 THR 178 VAL 179 ASP 180 ALA 181 GLY 182 PHE 183 ASN 184 SER 185 GLN 186 HIS 187 GLY 188 VAL 189 THR 190 LEU 191 THR 192 VAL 193 THR 194 GLN 195 GLY 196 LYS 197 GLN 198 VAL 199 GLN 200 LYS 201 TRP 202 ASP 203 ARG 204 ILE 205 SER 206 LYS 207 ALA 208 ALA 209 PHE 210 GLU 211 TRP 212 ALA 213 ASP 214 HIS 215 PRO 216 THR 217 ALA 218 VAL 219 ILE 220 PRO 221 ASP 222 MET 223 GLN 224 LYS 225 LEU 226 GLY 227 ILE 228 LYS 229 ASP 230 LYS 231 ASN 232 GLU 233 ALA 234 ALA 235 ARG 236 ILE 237 VAL 238 ALA 239 LEU 240 VAL 241 LYS 242 ASN 243 GLN 244 THR 245 THR 246 ALA 247 ALA 248 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-05 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 2K6H "Nmr Structure Of An Unusually 28 Kda Active Mutant Of Maize Ribosome-Inactivating Protein (Mod)" 100.00 248 100.00 100.00 0.00e+00 PDB 2PQI "Crystal Structure Of Active Ribosome Inactivating Protein From Maize (B-32)" 97.58 243 100.00 100.00 2.24e-178 PDB 2PQJ "Crystal Structure Of Active Ribosome Inactivating Protein From Maize (B-32), Complex With Adenine" 97.58 243 100.00 100.00 2.24e-178 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MOD 'Zea mays' 4577 Eukaryota Viridiplantae Zea mays 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 $MOD 'recombinant technology' . Escherichia coli . pET3a 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 $MOD 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Bruker Avance DRX 600 MHz equipped with cryoprobe.' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_16 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_17 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_3D_HNHB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; The NMR samples were prepared with 20 mM phosphate buffer at pH 6.8, 1X protease inhibitor cocktail (Roche) in 90% H2O/10% D2O and contained 0.5 ml of about 1.5 mM protein. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HN(CO)CACB' '3D HN(CA)CO' '3D H(CCO)NH' (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE '3D 1H-13C NOESY-aromatic' 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 'maize ribosome-inactivating proteins (RIP)' _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 MET HA H 3.800 0.002 1 2 1 1 MET HB2 H 1.949 0.004 2 3 1 1 MET HB3 H 1.949 0.004 2 4 1 1 MET HE H 2.040 0.007 1 5 1 1 MET HG2 H 2.489 0.002 2 6 1 1 MET HG3 H 2.489 0.002 2 7 1 1 MET CA C 55.393 0.026 1 8 1 1 MET CB C 34.367 0.035 1 9 1 1 MET CE C 16.693 0.219 1 10 1 1 MET CG C 31.047 0.117 1 11 2 2 LYS HA H 4.258 0.004 1 12 2 2 LYS HB2 H 1.690 0.004 2 13 2 2 LYS HB3 H 1.690 0.004 2 14 2 2 LYS HD2 H 1.546 0.007 2 15 2 2 LYS HD3 H 1.546 0.007 2 16 2 2 LYS HE2 H 2.868 0.008 2 17 2 2 LYS HE3 H 2.868 0.008 2 18 2 2 LYS HG2 H 1.198 0.008 2 19 2 2 LYS HG3 H 1.313 0.002 2 20 2 2 LYS CA C 56.237 0.017 1 21 2 2 LYS CB C 33.067 0.028 1 22 2 2 LYS CD C 28.799 0.219 1 23 2 2 LYS CE C 42.044 0.219 1 24 2 2 LYS CG C 24.575 0.030 1 25 3 3 ARG H H 8.135 0.013 1 26 3 3 ARG HA H 4.197 0.004 1 27 3 3 ARG HB2 H 1.617 0.005 2 28 3 3 ARG HB3 H 1.617 0.005 2 29 3 3 ARG HD2 H 3.101 0.001 2 30 3 3 ARG HD3 H 3.101 0.001 2 31 3 3 ARG HG2 H 1.428 0.019 2 32 3 3 ARG HG3 H 1.428 0.019 2 33 3 3 ARG C C 175.200 0.136 1 34 3 3 ARG CA C 55.456 0.047 1 35 3 3 ARG CB C 31.727 0.078 1 36 3 3 ARG CD C 43.221 0.006 1 37 3 3 ARG CG C 26.834 0.031 1 38 3 3 ARG N N 123.010 0.238 1 39 4 4 ILE H H 8.437 0.010 1 40 4 4 ILE HA H 3.803 0.010 1 41 4 4 ILE HB H 1.229 0.007 1 42 4 4 ILE HD1 H -0.082 0.008 1 43 4 4 ILE HG12 H 0.804 0.004 2 44 4 4 ILE HG13 H 0.544 0.007 2 45 4 4 ILE HG2 H -0.048 0.003 1 46 4 4 ILE C C 175.463 0.136 1 47 4 4 ILE CA C 60.220 0.021 1 48 4 4 ILE CB C 38.069 0.050 1 49 4 4 ILE CD1 C 11.338 0.015 1 50 4 4 ILE CG1 C 27.436 0.015 1 51 4 4 ILE CG2 C 16.870 0.017 1 52 4 4 ILE N N 125.144 0.148 1 53 5 5 VAL H H 8.334 0.009 1 54 5 5 VAL HA H 4.327 0.009 1 55 5 5 VAL HB H 1.932 0.010 1 56 5 5 VAL HG1 H 0.804 0.006 2 57 5 5 VAL HG2 H 0.804 0.006 2 58 5 5 VAL C C 174.006 0.136 1 59 5 5 VAL CA C 58.778 0.050 1 60 5 5 VAL CB C 32.594 0.035 1 61 5 5 VAL CG1 C 20.333 0.020 2 62 5 5 VAL CG2 C 20.414 0.012 2 63 5 5 VAL N N 128.411 0.164 1 64 6 6 PRO HA H 4.010 0.005 1 65 6 6 PRO HB2 H 1.534 0.001 2 66 6 6 PRO HB3 H 0.703 0.015 2 67 6 6 PRO HD2 H 3.633 0.005 2 68 6 6 PRO HD3 H 2.853 0.009 2 69 6 6 PRO HG2 H 1.441 0.008 2 70 6 6 PRO HG3 H 0.986 0.007 2 71 6 6 PRO CA C 61.934 0.015 1 72 6 6 PRO CB C 31.431 0.060 1 73 6 6 PRO CD C 50.534 0.038 1 74 6 6 PRO CG C 26.127 0.035 1 75 7 7 LYS H H 8.813 0.007 1 76 7 7 LYS HA H 4.078 0.013 1 77 7 7 LYS HB2 H 1.691 0.013 2 78 7 7 LYS HB3 H 1.691 0.013 2 79 7 7 LYS HE2 H 2.945 0.007 2 80 7 7 LYS HE3 H 2.945 0.007 2 81 7 7 LYS HG2 H 1.593 0.007 2 82 7 7 LYS HG3 H 1.079 0.007 2 83 7 7 LYS C C 176.140 0.136 1 84 7 7 LYS CA C 55.924 0.219 1 85 7 7 LYS CB C 31.865 0.219 1 86 7 7 LYS CE C 41.511 0.219 1 87 7 7 LYS CG C 23.692 0.113 1 88 7 7 LYS N N 120.967 0.135 1 89 8 8 PHE H H 7.136 0.010 1 90 8 8 PHE HA H 4.821 0.018 1 91 8 8 PHE HB2 H 3.301 0.024 2 92 8 8 PHE HB3 H 2.881 0.010 2 93 8 8 PHE HD1 H 7.623 0.008 3 94 8 8 PHE HD2 H 7.623 0.008 3 95 8 8 PHE HE1 H 7.367 0.005 3 96 8 8 PHE HE2 H 7.367 0.005 3 97 8 8 PHE CA C 56.416 0.065 1 98 8 8 PHE CB C 42.247 0.047 1 99 8 8 PHE CD2 C 134.688 0.228 3 100 8 8 PHE CE1 C 131.041 0.228 3 101 8 8 PHE CE2 C 131.041 0.228 3 102 8 8 PHE N N 110.929 0.241 1 103 9 9 THR H H 8.573 0.007 1 104 9 9 THR HA H 5.381 0.005 1 105 9 9 THR HB H 4.045 0.003 1 106 9 9 THR HG2 H 1.198 0.010 1 107 9 9 THR C C 173.829 0.136 1 108 9 9 THR CA C 61.636 0.041 1 109 9 9 THR CB C 70.843 0.051 1 110 9 9 THR CG2 C 20.720 0.037 1 111 9 9 THR N N 117.550 0.141 1 112 10 10 GLU H H 8.585 0.013 1 113 10 10 GLU HA H 5.085 0.007 1 114 10 10 GLU HB2 H 2.089 0.007 2 115 10 10 GLU HB3 H 1.963 0.008 2 116 10 10 GLU HG2 H 2.364 0.001 2 117 10 10 GLU HG3 H 2.364 0.001 2 118 10 10 GLU C C 175.169 0.020 1 119 10 10 GLU CA C 53.925 0.019 1 120 10 10 GLU CB C 31.997 0.017 1 121 10 10 GLU CG C 33.937 0.219 1 122 10 10 GLU N N 125.223 0.183 1 123 11 11 ILE H H 9.122 0.009 1 124 11 11 ILE HA H 5.040 0.008 1 125 11 11 ILE HB H 1.797 0.006 1 126 11 11 ILE HD1 H 0.891 0.007 1 127 11 11 ILE HG12 H 1.196 0.011 2 128 11 11 ILE HG13 H 1.588 0.007 2 129 11 11 ILE HG2 H 0.802 0.009 1 130 11 11 ILE C C 174.939 0.136 1 131 11 11 ILE CA C 60.662 0.020 1 132 11 11 ILE CB C 40.198 0.058 1 133 11 11 ILE CD1 C 13.918 0.056 1 134 11 11 ILE CG1 C 28.092 0.076 1 135 11 11 ILE CG2 C 17.453 0.040 1 136 11 11 ILE N N 125.712 0.155 1 137 12 12 PHE H H 9.050 0.009 1 138 12 12 PHE HA H 5.186 0.004 1 139 12 12 PHE HB2 H 2.918 0.009 2 140 12 12 PHE HB3 H 2.035 0.002 2 141 12 12 PHE HD1 H 7.064 0.002 3 142 12 12 PHE HD2 H 7.064 0.002 3 143 12 12 PHE HE1 H 6.770 0.007 3 144 12 12 PHE HE2 H 6.770 0.007 3 145 12 12 PHE C C 172.727 0.136 1 146 12 12 PHE CA C 50.952 0.081 1 147 12 12 PHE CB C 40.849 0.071 1 148 12 12 PHE CD1 C 131.614 0.228 3 149 12 12 PHE CD2 C 131.614 0.228 3 150 12 12 PHE CE1 C 131.178 0.228 3 151 12 12 PHE CE2 C 131.178 0.228 3 152 12 12 PHE N N 128.151 0.154 1 153 13 13 PRO HA H 4.965 0.005 1 154 13 13 PRO HB2 H 2.187 0.003 2 155 13 13 PRO HB3 H 1.808 0.013 2 156 13 13 PRO HD2 H 2.859 0.009 2 157 13 13 PRO HD3 H 3.472 0.076 2 158 13 13 PRO HG2 H 1.667 0.003 2 159 13 13 PRO HG3 H 1.922 0.002 2 160 13 13 PRO CA C 60.656 0.026 1 161 13 13 PRO CB C 28.451 0.023 1 162 13 13 PRO CD C 50.457 0.063 1 163 14 14 VAL H H 7.796 0.011 1 164 14 14 VAL HA H 2.800 0.007 1 165 14 14 VAL HB H 1.445 0.005 1 166 14 14 VAL HG1 H 0.683 0.013 2 167 14 14 VAL HG2 H 0.620 0.006 2 168 14 14 VAL C C 176.016 0.136 1 169 14 14 VAL CA C 64.698 0.069 1 170 14 14 VAL CB C 32.915 0.073 1 171 14 14 VAL CG1 C 22.703 0.004 2 172 14 14 VAL CG2 C 22.716 0.017 2 173 14 14 VAL N N 124.109 0.193 1 174 15 15 GLU H H 8.337 0.010 1 175 15 15 GLU HA H 4.213 0.008 1 176 15 15 GLU HB2 H 2.267 0.008 2 177 15 15 GLU HB3 H 1.828 0.007 2 178 15 15 GLU HG2 H 2.207 0.004 2 179 15 15 GLU HG3 H 2.207 0.004 2 180 15 15 GLU C C 175.938 0.136 1 181 15 15 GLU CA C 56.700 0.043 1 182 15 15 GLU CB C 30.629 0.055 1 183 15 15 GLU CG C 40.097 0.006 1 184 15 15 GLU N N 113.656 0.152 1 185 16 16 ASP H H 7.445 0.008 1 186 16 16 ASP HA H 4.616 0.008 1 187 16 16 ASP HB2 H 3.336 0.014 2 188 16 16 ASP HB3 H 2.454 0.011 2 189 16 16 ASP C C 175.506 0.136 1 190 16 16 ASP CA C 53.253 0.023 1 191 16 16 ASP CB C 40.898 0.091 1 192 16 16 ASP N N 119.986 0.145 1 193 17 17 ALA H H 8.411 0.008 1 194 17 17 ALA HA H 3.955 0.011 1 195 17 17 ALA HB H 1.440 0.004 1 196 17 17 ALA C C 177.998 0.136 1 197 17 17 ALA CA C 54.080 0.027 1 198 17 17 ALA CB C 18.414 0.219 1 199 17 17 ALA N N 127.694 0.145 1 200 18 18 ASN H H 8.608 0.012 1 201 18 18 ASN HA H 4.691 0.019 1 202 18 18 ASN HB2 H 2.894 0.006 2 203 18 18 ASN HB3 H 2.894 0.006 2 204 18 18 ASN HD21 H 7.882 0.004 2 205 18 18 ASN HD22 H 6.923 0.003 2 206 18 18 ASN C C 173.986 0.136 1 207 18 18 ASN CA C 53.598 0.081 1 208 18 18 ASN CB C 38.873 0.065 1 209 18 18 ASN CG C 177.595 0.136 1 210 18 18 ASN N N 114.451 0.184 1 211 18 18 ASN ND2 N 114.424 0.148 1 212 19 19 TYR H H 8.316 0.010 1 213 19 19 TYR HA H 4.991 0.013 1 214 19 19 TYR HB2 H 3.657 0.009 2 215 19 19 TYR HB3 H 2.848 0.010 2 216 19 19 TYR HD1 H 7.215 0.004 3 217 19 19 TYR HD2 H 7.215 0.004 3 218 19 19 TYR HE1 H 6.739 0.003 3 219 19 19 TYR HE2 H 6.739 0.003 3 220 19 19 TYR C C 173.340 0.136 1 221 19 19 TYR CA C 55.021 0.030 1 222 19 19 TYR CB C 39.024 0.055 1 223 19 19 TYR CD1 C 133.357 0.228 3 224 19 19 TYR CD2 C 133.364 0.228 3 225 19 19 TYR N N 125.701 0.174 1 226 20 20 PRO HA H 4.771 0.005 1 227 20 20 PRO HB2 H 2.479 0.008 2 228 20 20 PRO HB3 H 2.036 0.021 2 229 20 20 PRO HD2 H 4.019 0.006 2 230 20 20 PRO HD3 H 3.383 0.010 2 231 20 20 PRO HG2 H 1.976 0.011 2 232 20 20 PRO HG3 H 1.976 0.011 2 233 20 20 PRO CA C 62.438 0.008 1 234 20 20 PRO CB C 32.218 0.051 1 235 20 20 PRO CD C 50.745 0.139 1 236 20 20 PRO CG C 26.966 0.065 1 237 21 21 TYR H H 8.503 0.007 1 238 21 21 TYR HA H 3.783 0.006 1 239 21 21 TYR HB2 H 2.458 0.012 2 240 21 21 TYR HB3 H 1.359 0.007 2 241 21 21 TYR HD1 H 6.533 0.007 3 242 21 21 TYR HD2 H 6.533 0.007 3 243 21 21 TYR HE1 H 6.849 0.010 3 244 21 21 TYR HE2 H 6.849 0.010 3 245 21 21 TYR C C 177.419 0.136 1 246 21 21 TYR CA C 61.244 0.079 1 247 21 21 TYR CB C 36.355 0.100 1 248 21 21 TYR N N 125.581 0.115 1 249 22 22 SER H H 8.215 0.007 1 250 22 22 SER HA H 3.527 0.012 1 251 22 22 SER HB2 H 3.791 0.009 2 252 22 22 SER HB3 H 3.791 0.009 2 253 22 22 SER C C 177.283 0.136 1 254 22 22 SER CA C 60.433 0.003 1 255 22 22 SER CB C 61.367 0.003 1 256 22 22 SER N N 111.671 0.133 1 257 23 23 ALA H H 7.052 0.010 1 258 23 23 ALA HA H 4.163 0.008 1 259 23 23 ALA HB H 1.317 0.006 1 260 23 23 ALA C C 179.632 0.136 1 261 23 23 ALA CA C 54.576 0.135 1 262 23 23 ALA CB C 18.061 0.017 1 263 23 23 ALA N N 124.829 0.133 1 264 24 24 PHE H H 6.933 0.010 1 265 24 24 PHE HA H 4.434 0.006 1 266 24 24 PHE HB2 H 2.653 0.005 2 267 24 24 PHE HB3 H 2.482 0.007 2 268 24 24 PHE HD1 H 6.897 0.017 3 269 24 24 PHE HD2 H 6.897 0.017 3 270 24 24 PHE HE1 H 6.888 0.002 3 271 24 24 PHE HE2 H 6.888 0.002 3 272 24 24 PHE HZ H 6.873 0.003 1 273 24 24 PHE C C 175.741 0.136 1 274 24 24 PHE CA C 59.703 0.043 1 275 24 24 PHE CB C 38.261 0.044 1 276 24 24 PHE CE1 C 132.647 0.228 3 277 24 24 PHE CE2 C 132.647 0.228 3 278 24 24 PHE N N 121.429 0.203 1 279 25 25 ILE H H 7.396 0.009 1 280 25 25 ILE HA H 3.030 0.004 1 281 25 25 ILE HB H 1.562 0.005 1 282 25 25 ILE HD1 H 0.405 0.007 1 283 25 25 ILE HG12 H 0.657 0.008 2 284 25 25 ILE HG13 H 0.657 0.008 2 285 25 25 ILE HG2 H 0.578 0.004 1 286 25 25 ILE C C 177.784 0.136 1 287 25 25 ILE CA C 60.618 0.033 1 288 25 25 ILE CB C 35.099 0.075 1 289 25 25 ILE CD1 C 7.127 0.034 1 290 25 25 ILE CG1 C 26.133 0.027 1 291 25 25 ILE CG2 C 16.851 0.009 1 292 25 25 ILE N N 117.678 0.159 1 293 26 26 ALA H H 7.934 0.012 1 294 26 26 ALA HA H 3.868 0.012 1 295 26 26 ALA HB H 1.387 0.004 1 296 26 26 ALA C C 180.507 0.136 1 297 26 26 ALA CA C 55.287 0.029 1 298 26 26 ALA CB C 18.161 0.087 1 299 26 26 ALA N N 119.299 0.201 1 300 27 27 SER H H 7.753 0.011 1 301 27 27 SER HA H 4.007 0.012 1 302 27 27 SER HB2 H 3.974 0.010 2 303 27 27 SER HB3 H 3.974 0.010 2 304 27 27 SER C C 176.141 0.136 1 305 27 27 SER CA C 61.639 0.003 1 306 27 27 SER CB C 62.913 0.007 1 307 27 27 SER N N 113.985 0.174 1 308 28 28 VAL H H 7.851 0.006 1 309 28 28 VAL HA H 3.568 0.005 1 310 28 28 VAL HB H 1.554 0.003 1 311 28 28 VAL HG1 H 0.426 0.008 2 312 28 28 VAL HG2 H 0.751 0.015 2 313 28 28 VAL C C 178.687 0.136 1 314 28 28 VAL CA C 66.052 0.041 1 315 28 28 VAL CB C 30.491 0.060 1 316 28 28 VAL CG1 C 23.015 0.010 2 317 28 28 VAL CG2 C 24.547 0.028 2 318 28 28 VAL N N 120.060 0.032 1 319 29 29 ARG H H 8.648 0.008 1 320 29 29 ARG HA H 3.569 0.012 1 321 29 29 ARG HB2 H 1.945 0.007 2 322 29 29 ARG HB3 H 1.580 0.012 2 323 29 29 ARG HD2 H 2.991 0.013 2 324 29 29 ARG HD3 H 2.991 0.013 2 325 29 29 ARG HG2 H 1.351 0.009 2 326 29 29 ARG HG3 H 1.927 0.012 2 327 29 29 ARG C C 177.469 0.136 1 328 29 29 ARG CA C 61.602 0.070 1 329 29 29 ARG CB C 30.394 0.036 1 330 29 29 ARG CD C 44.305 0.097 1 331 29 29 ARG CG C 29.800 0.037 1 332 29 29 ARG N N 117.974 0.141 1 333 30 30 LYS H H 7.544 0.010 1 334 30 30 LYS HA H 3.814 0.017 1 335 30 30 LYS HB2 H 1.871 0.010 2 336 30 30 LYS HB3 H 1.871 0.010 2 337 30 30 LYS HD2 H 1.648 0.019 2 338 30 30 LYS HD3 H 1.648 0.019 2 339 30 30 LYS HE2 H 2.946 0.011 2 340 30 30 LYS HE3 H 2.946 0.011 2 341 30 30 LYS HG2 H 1.540 0.002 2 342 30 30 LYS HG3 H 1.352 0.002 2 343 30 30 LYS C C 178.307 0.136 1 344 30 30 LYS CA C 59.993 0.038 1 345 30 30 LYS CB C 31.672 0.063 1 346 30 30 LYS CD C 29.238 0.219 1 347 30 30 LYS CE C 41.989 0.219 1 348 30 30 LYS CG C 24.841 0.043 1 349 30 30 LYS N N 116.143 0.149 1 350 31 31 ASP H H 7.033 0.011 1 351 31 31 ASP HA H 4.128 0.012 1 352 31 31 ASP HB2 H 2.107 0.017 2 353 31 31 ASP HB3 H 0.987 0.012 2 354 31 31 ASP C C 177.243 0.136 1 355 31 31 ASP CA C 56.736 0.030 1 356 31 31 ASP CB C 38.066 0.109 1 357 31 31 ASP N N 119.168 0.182 1 358 32 32 VAL H H 8.074 0.010 1 359 32 32 VAL HA H 3.778 0.010 1 360 32 32 VAL HB H 2.212 0.014 1 361 32 32 VAL HG1 H 1.028 0.007 2 362 32 32 VAL HG2 H 0.845 0.011 2 363 32 32 VAL C C 179.383 0.136 1 364 32 32 VAL CA C 66.380 0.053 1 365 32 32 VAL CB C 32.031 0.131 1 366 32 32 VAL CG1 C 24.071 0.070 2 367 32 32 VAL CG2 C 22.006 0.068 2 368 32 32 VAL N N 119.691 0.183 1 369 33 33 ILE H H 8.744 0.010 1 370 33 33 ILE HA H 4.008 0.006 1 371 33 33 ILE HB H 1.847 0.003 1 372 33 33 ILE HD1 H 0.802 0.007 1 373 33 33 ILE HG12 H 0.889 0.029 2 374 33 33 ILE HG13 H 1.837 0.007 2 375 33 33 ILE HG2 H 0.908 0.008 1 376 33 33 ILE C C 177.812 0.136 1 377 33 33 ILE CA C 65.757 0.066 1 378 33 33 ILE CB C 38.206 0.079 1 379 33 33 ILE CD1 C 13.815 0.050 1 380 33 33 ILE CG1 C 31.415 0.045 1 381 33 33 ILE CG2 C 17.343 0.041 1 382 33 33 ILE N N 120.239 0.161 1 383 34 34 LYS H H 7.248 0.006 1 384 34 34 LYS HA H 4.008 0.016 1 385 34 34 LYS HB2 H 1.962 0.002 2 386 34 34 LYS HB3 H 1.739 0.006 2 387 34 34 LYS HD2 H 1.542 0.003 2 388 34 34 LYS HD3 H 1.542 0.003 2 389 34 34 LYS HE2 H 2.984 0.019 2 390 34 34 LYS HE3 H 2.984 0.019 2 391 34 34 LYS HG2 H 1.452 0.020 2 392 34 34 LYS HG3 H 1.452 0.020 2 393 34 34 LYS C C 177.218 0.136 1 394 34 34 LYS CA C 59.168 0.036 1 395 34 34 LYS CB C 32.310 0.219 1 396 34 34 LYS CD C 25.304 0.049 1 397 34 34 LYS N N 120.073 0.140 1 398 35 35 HIS H H 8.201 0.010 1 399 35 35 HIS HA H 4.571 0.007 1 400 35 35 HIS HB2 H 3.488 0.022 2 401 35 35 HIS HB3 H 3.053 0.011 2 402 35 35 HIS HD2 H 7.075 0.008 1 403 35 35 HIS HE1 H 7.913 0.007 1 404 35 35 HIS C C 174.840 0.136 1 405 35 35 HIS CA C 56.300 0.058 1 406 35 35 HIS CB C 30.902 0.094 1 407 35 35 HIS N N 116.480 0.156 1 408 36 36 CYS H H 7.455 0.007 1 409 36 36 CYS HA H 4.870 0.007 1 410 36 36 CYS HB2 H 3.064 0.021 2 411 36 36 CYS HB3 H 2.797 0.002 2 412 36 36 CYS C C 174.242 0.136 1 413 36 36 CYS CA C 59.851 0.055 1 414 36 36 CYS CB C 31.377 0.059 1 415 36 36 CYS N N 117.815 0.090 1 416 37 37 THR H H 9.087 0.006 1 417 37 37 THR HA H 4.665 0.019 1 418 37 37 THR HB H 4.173 0.008 1 419 37 37 THR HG2 H 1.201 0.011 1 420 37 37 THR C C 172.949 0.136 1 421 37 37 THR CA C 60.313 0.031 1 422 37 37 THR CB C 71.623 0.037 1 423 37 37 THR CG2 C 22.140 0.219 1 424 37 37 THR N N 112.053 0.103 1 425 38 38 ASP H H 8.178 0.011 1 426 38 38 ASP HA H 5.063 0.007 1 427 38 38 ASP HB2 H 2.566 0.014 2 428 38 38 ASP HB3 H 2.461 0.005 2 429 38 38 ASP C C 175.480 0.136 1 430 38 38 ASP CA C 52.674 0.062 1 431 38 38 ASP CB C 42.445 0.039 1 432 38 38 ASP N N 120.233 0.155 1 433 39 39 HIS H H 9.447 0.009 1 434 39 39 HIS HA H 4.574 0.014 1 435 39 39 HIS HB2 H 2.751 0.013 2 436 39 39 HIS HB3 H 2.751 0.013 2 437 39 39 HIS HD2 H 6.894 0.018 1 438 39 39 HIS HE1 H 8.099 0.002 1 439 39 39 HIS C C 174.953 0.136 1 440 39 39 HIS CA C 54.825 0.044 1 441 39 39 HIS CB C 33.255 0.056 1 442 39 39 HIS N N 125.504 0.147 1 443 40 40 LYS HA H 4.694 0.008 1 444 40 40 LYS HB2 H 1.984 0.002 2 445 40 40 LYS HB3 H 1.863 0.003 2 446 40 40 LYS HD2 H 1.752 0.005 2 447 40 40 LYS HD3 H 1.752 0.005 2 448 40 40 LYS HE2 H 3.050 0.005 2 449 40 40 LYS HE3 H 3.050 0.005 2 450 40 40 LYS HG2 H 1.535 0.002 2 451 40 40 LYS HG3 H 1.606 0.007 2 452 40 40 LYS CA C 57.043 0.054 1 453 40 40 LYS CB C 35.710 0.053 1 454 40 40 LYS CD C 29.339 0.219 1 455 40 40 LYS CE C 42.333 0.219 1 456 40 40 LYS CG C 24.940 0.219 1 457 41 41 GLY H H 8.431 0.007 1 458 41 41 GLY HA2 H 3.640 0.007 2 459 41 41 GLY HA3 H 4.195 0.007 2 460 41 41 GLY C C 172.930 0.136 1 461 41 41 GLY CA C 45.282 0.039 1 462 41 41 GLY N N 102.322 0.150 1 463 42 42 ILE H H 7.958 0.013 1 464 42 42 ILE HA H 4.190 0.011 1 465 42 42 ILE HB H 1.829 0.010 1 466 42 42 ILE HD1 H -0.545 0.006 1 467 42 42 ILE HG12 H 0.456 0.006 2 468 42 42 ILE HG13 H 1.056 0.010 2 469 42 42 ILE HG2 H 0.913 0.015 1 470 42 42 ILE C C 175.950 0.136 1 471 42 42 ILE CA C 60.956 0.046 1 472 42 42 ILE CB C 38.635 0.068 1 473 42 42 ILE CD1 C 11.231 0.040 1 474 42 42 ILE CG1 C 27.187 0.045 1 475 42 42 ILE CG2 C 16.804 0.020 1 476 42 42 ILE N N 122.085 0.161 1 477 43 43 PHE H H 8.828 0.007 1 478 43 43 PHE HA H 4.341 0.008 1 479 43 43 PHE HB2 H 3.076 0.009 2 480 43 43 PHE HB3 H 2.841 0.012 2 481 43 43 PHE HD1 H 7.265 0.011 3 482 43 43 PHE HD2 H 7.265 0.011 3 483 43 43 PHE HE1 H 7.276 0.007 3 484 43 43 PHE HE2 H 7.276 0.007 3 485 43 43 PHE HZ H 7.275 0.007 1 486 43 43 PHE C C 176.073 0.136 1 487 43 43 PHE CA C 59.865 0.049 1 488 43 43 PHE CB C 39.442 0.048 1 489 43 43 PHE N N 128.120 0.155 1 490 44 44 GLN H H 8.247 0.012 1 491 44 44 GLN HA H 4.587 0.008 1 492 44 44 GLN HB2 H 2.101 0.008 2 493 44 44 GLN HB3 H 2.101 0.008 2 494 44 44 GLN HE21 H 7.220 0.004 2 495 44 44 GLN HE22 H 6.861 0.002 2 496 44 44 GLN HG2 H 2.415 0.009 2 497 44 44 GLN HG3 H 2.415 0.009 2 498 44 44 GLN C C 172.935 0.136 1 499 44 44 GLN CA C 55.740 0.219 1 500 44 44 GLN CB C 27.426 0.026 1 501 44 44 GLN CD C 180.334 0.136 1 502 44 44 GLN CG C 36.299 0.219 1 503 44 44 GLN N N 118.900 0.155 1 504 44 44 GLN NE2 N 108.454 0.044 1 505 45 45 PRO HA H 4.413 0.009 1 506 45 45 PRO HB2 H 2.307 0.014 2 507 45 45 PRO HB3 H 1.839 0.013 2 508 45 45 PRO CA C 63.272 0.051 1 509 45 45 PRO CB C 31.755 0.219 1 510 46 46 VAL H H 8.346 0.007 1 511 46 46 VAL HA H 4.444 0.013 1 512 46 46 VAL HB H 2.106 0.004 1 513 46 46 VAL HG1 H 0.761 0.017 2 514 46 46 VAL HG2 H 0.761 0.017 2 515 46 46 VAL C C 176.226 0.136 1 516 46 46 VAL CA C 61.421 0.053 1 517 46 46 VAL CB C 32.008 0.057 1 518 46 46 VAL CG1 C 21.301 0.030 2 519 46 46 VAL CG2 C 21.345 0.012 2 520 46 46 VAL N N 121.491 0.130 1 521 47 47 LEU H H 8.329 0.009 1 522 47 47 LEU HA H 4.891 0.006 1 523 47 47 LEU HB2 H 2.021 0.017 2 524 47 47 LEU HB3 H 2.021 0.017 2 525 47 47 LEU HD1 H 1.069 0.006 2 526 47 47 LEU HD2 H 1.069 0.006 2 527 47 47 LEU HG H 1.757 0.020 1 528 47 47 LEU C C 174.014 0.136 1 529 47 47 LEU CA C 55.075 0.061 1 530 47 47 LEU CB C 41.441 0.058 1 531 47 47 LEU CD1 C 26.517 0.031 2 532 47 47 LEU CD2 C 26.493 0.219 2 533 47 47 LEU CG C 27.766 0.219 1 534 47 47 LEU N N 127.753 0.208 1 535 48 48 PRO HA H 4.831 0.005 1 536 48 48 PRO HB2 H 1.778 0.009 2 537 48 48 PRO HB3 H 2.512 0.010 2 538 48 48 PRO HD2 H 3.689 0.009 2 539 48 48 PRO HD3 H 3.802 0.007 2 540 48 48 PRO HG2 H 1.695 0.011 2 541 48 48 PRO HG3 H 2.155 0.010 2 542 48 48 PRO CA C 61.368 0.011 1 543 48 48 PRO CB C 30.779 0.066 1 544 48 48 PRO CD C 49.494 0.052 1 545 48 48 PRO CG C 27.589 0.052 1 546 49 49 PRO HA H 4.132 0.006 1 547 49 49 PRO HB2 H 2.119 0.014 2 548 49 49 PRO HB3 H 1.756 0.009 2 549 49 49 PRO HD2 H 3.685 0.019 2 550 49 49 PRO HD3 H 3.685 0.019 2 551 49 49 PRO HG2 H 1.973 0.012 2 552 49 49 PRO HG3 H 2.033 0.001 2 553 49 49 PRO CA C 62.950 0.012 1 554 49 49 PRO CB C 32.146 0.028 1 555 49 49 PRO CD C 50.078 0.066 1 556 49 49 PRO CG C 27.418 0.057 1 557 50 50 GLU H H 8.374 0.010 1 558 50 50 GLU HA H 4.444 0.009 1 559 50 50 GLU HB2 H 1.899 0.011 2 560 50 50 GLU HB3 H 1.801 0.002 2 561 50 50 GLU HG2 H 1.901 0.007 2 562 50 50 GLU HG3 H 2.095 0.007 2 563 50 50 GLU C C 175.947 0.136 1 564 50 50 GLU CA C 56.530 0.219 1 565 50 50 GLU CB C 30.859 0.011 1 566 50 50 GLU CG C 36.771 0.031 1 567 50 50 GLU N N 122.665 0.198 1 568 51 51 LYS H H 7.064 0.011 1 569 51 51 LYS HA H 4.560 0.022 1 570 51 51 LYS HB2 H 1.461 0.013 2 571 51 51 LYS HB3 H 1.801 0.006 2 572 51 51 LYS HD2 H 1.663 0.010 2 573 51 51 LYS HD3 H 1.663 0.010 2 574 51 51 LYS HE2 H 2.962 0.009 2 575 51 51 LYS HE3 H 2.962 0.009 2 576 51 51 LYS HG2 H 1.371 0.002 2 577 51 51 LYS HG3 H 1.371 0.002 2 578 51 51 LYS C C 175.573 0.136 1 579 51 51 LYS CA C 53.914 0.084 1 580 51 51 LYS CB C 36.515 0.040 1 581 51 51 LYS CD C 29.110 0.007 1 582 51 51 LYS CE C 42.056 0.219 1 583 51 51 LYS CG C 24.263 0.219 1 584 51 51 LYS N N 123.893 0.160 1 585 52 52 LYS HA H 3.960 0.008 1 586 52 52 LYS HB2 H 1.817 0.009 2 587 52 52 LYS HB3 H 1.817 0.009 2 588 52 52 LYS HE2 H 3.032 0.002 2 589 52 52 LYS HE3 H 3.032 0.002 2 590 52 52 LYS HG2 H 1.562 0.110 2 591 52 52 LYS HG3 H 1.562 0.110 2 592 52 52 LYS CB C 32.160 0.040 1 593 52 52 LYS CD C 29.050 0.219 1 594 52 52 LYS CE C 41.930 0.219 1 595 52 52 LYS CG C 24.957 0.219 1 596 53 53 VAL H H 7.683 0.008 1 597 53 53 VAL HA H 4.530 0.019 1 598 53 53 VAL HB H 2.000 0.003 1 599 53 53 VAL HG1 H 0.911 0.005 2 600 53 53 VAL HG2 H 0.967 0.003 2 601 53 53 VAL C C 173.387 0.136 1 602 53 53 VAL CA C 59.006 0.050 1 603 53 53 VAL CB C 32.408 0.026 1 604 53 53 VAL CG1 C 20.810 0.219 2 605 53 53 VAL CG2 C 20.810 0.219 2 606 53 53 VAL N N 118.156 0.127 1 607 54 54 PRO HA H 4.115 0.004 1 608 54 54 PRO HB2 H 1.918 0.018 2 609 54 54 PRO HB3 H 1.195 0.008 2 610 54 54 PRO HD2 H 3.950 0.006 2 611 54 54 PRO HD3 H 3.730 0.003 2 612 54 54 PRO HG2 H 1.548 0.003 2 613 54 54 PRO CA C 62.827 0.014 1 614 54 54 PRO CB C 31.509 0.061 1 615 54 54 PRO CD C 51.089 0.071 1 616 54 54 PRO CG C 27.001 0.038 1 617 55 55 GLU H H 8.785 0.010 1 618 55 55 GLU HA H 4.531 0.010 1 619 55 55 GLU HB2 H 2.119 0.003 2 620 55 55 GLU HB3 H 1.896 0.005 2 621 55 55 GLU HG2 H 2.297 0.008 2 622 55 55 GLU HG3 H 2.236 0.005 2 623 55 55 GLU C C 176.226 0.136 1 624 55 55 GLU CA C 56.157 0.081 1 625 55 55 GLU CB C 31.918 0.058 1 626 55 55 GLU CG C 36.441 0.219 1 627 55 55 GLU N N 118.995 0.160 1 628 56 56 LEU H H 7.119 0.011 1 629 56 56 LEU HA H 4.533 0.010 1 630 56 56 LEU HB2 H 1.634 0.009 2 631 56 56 LEU HB3 H 1.250 0.007 2 632 56 56 LEU HD1 H 0.723 0.013 2 633 56 56 LEU HD2 H 1.514 0.004 2 634 56 56 LEU HG H 0.903 0.007 1 635 56 56 LEU C C 174.389 0.136 1 636 56 56 LEU CA C 53.997 0.054 1 637 56 56 LEU CB C 45.130 0.073 1 638 56 56 LEU CD1 C 23.702 0.063 2 639 56 56 LEU CD2 C 26.670 0.219 2 640 56 56 LEU CG C 26.351 0.064 1 641 56 56 LEU N N 119.828 0.163 1 642 57 57 TRP H H 8.693 0.011 1 643 57 57 TRP HA H 5.001 0.007 1 644 57 57 TRP HB2 H 2.939 0.012 2 645 57 57 TRP HB3 H 2.665 0.012 2 646 57 57 TRP HD1 H 6.914 0.003 1 647 57 57 TRP HE1 H 9.777 0.014 1 648 57 57 TRP HE3 H 7.323 0.003 1 649 57 57 TRP HZ2 H 7.265 0.007 1 650 57 57 TRP HZ3 H 7.319 0.009 1 651 57 57 TRP C C 173.820 0.136 1 652 57 57 TRP CA C 56.078 0.070 1 653 57 57 TRP CB C 32.973 0.072 1 654 57 57 TRP CD1 C 126.820 0.228 1 655 57 57 TRP N N 124.047 0.173 1 656 57 57 TRP NE1 N 128.801 0.019 1 657 58 58 LEU H H 9.506 0.007 1 658 58 58 LEU HA H 4.857 0.014 1 659 58 58 LEU HB2 H 1.354 0.006 2 660 58 58 LEU HB3 H 1.470 0.005 2 661 58 58 LEU HD1 H 0.682 0.007 2 662 58 58 LEU HD2 H 0.800 0.007 2 663 58 58 LEU HG H 1.674 0.007 1 664 58 58 LEU C C 173.949 0.136 1 665 58 58 LEU CA C 53.964 0.051 1 666 58 58 LEU CB C 45.225 0.086 1 667 58 58 LEU CD1 C 26.790 0.053 2 668 58 58 LEU CD2 C 25.867 0.029 2 669 58 58 LEU CG C 26.553 0.105 1 670 58 58 LEU N N 122.085 0.113 1 671 59 59 TYR H H 8.630 0.017 1 672 59 59 TYR HA H 6.570 0.008 1 673 59 59 TYR HB2 H 2.933 0.010 2 674 59 59 TYR HB3 H 3.502 0.014 2 675 59 59 TYR HD1 H 7.323 0.003 3 676 59 59 TYR HD2 H 7.323 0.003 3 677 59 59 TYR HE1 H 6.497 0.009 3 678 59 59 TYR HE2 H 6.497 0.009 3 679 59 59 TYR C C 177.054 0.136 1 680 59 59 TYR CA C 52.659 0.138 1 681 59 59 TYR CB C 39.656 0.070 1 682 59 59 TYR CE1 C 117.343 0.228 3 683 59 59 TYR CE2 C 117.359 0.228 3 684 59 59 TYR N N 123.449 0.171 1 685 60 60 THR H H 8.695 0.009 1 686 60 60 THR HA H 5.538 0.007 1 687 60 60 THR HB H 4.187 0.014 1 688 60 60 THR HG2 H 1.191 0.009 1 689 60 60 THR C C 174.424 0.136 1 690 60 60 THR CA C 58.093 0.066 1 691 60 60 THR CB C 70.891 0.017 1 692 60 60 THR CG2 C 20.623 0.219 1 693 60 60 THR N N 110.815 0.129 1 694 61 61 GLU H H 9.763 0.008 1 695 61 61 GLU HA H 5.054 0.015 1 696 61 61 GLU HB2 H 2.106 0.007 2 697 61 61 GLU HB3 H 1.874 0.012 2 698 61 61 GLU HG2 H 2.007 0.009 2 699 61 61 GLU HG3 H 2.007 0.009 2 700 61 61 GLU C C 173.832 0.136 1 701 61 61 GLU CA C 55.330 0.028 1 702 61 61 GLU CB C 30.601 0.124 1 703 61 61 GLU CG C 35.566 0.018 1 704 61 61 GLU N N 132.666 0.147 1 705 62 62 LEU H H 8.906 0.010 1 706 62 62 LEU HA H 4.891 0.009 1 707 62 62 LEU HB2 H 1.146 0.008 2 708 62 62 LEU HB3 H 2.006 0.007 2 709 62 62 LEU HD1 H 0.832 0.006 2 710 62 62 LEU HD2 H 0.921 0.002 2 711 62 62 LEU HG H 1.772 0.005 1 712 62 62 LEU C C 173.810 0.136 1 713 62 62 LEU CA C 53.230 0.023 1 714 62 62 LEU CB C 42.332 0.079 1 715 62 62 LEU CD1 C 23.769 0.040 2 716 62 62 LEU CD2 C 23.838 0.219 2 717 62 62 LEU CG C 27.293 0.041 1 718 62 62 LEU N N 128.214 0.163 1 719 63 63 LYS H H 8.374 0.007 1 720 63 63 LYS HA H 4.997 0.010 1 721 63 63 LYS HB2 H 1.571 0.013 2 722 63 63 LYS HB3 H 1.777 0.014 2 723 63 63 LYS HD2 H 1.608 0.007 2 724 63 63 LYS HD3 H 1.608 0.007 2 725 63 63 LYS HE2 H 2.894 0.011 2 726 63 63 LYS HE3 H 2.894 0.011 2 727 63 63 LYS HG2 H 1.374 0.010 2 728 63 63 LYS HG3 H 1.374 0.010 2 729 63 63 LYS C C 176.857 0.136 1 730 63 63 LYS CA C 55.078 0.033 1 731 63 63 LYS CB C 35.991 0.068 1 732 63 63 LYS CD C 29.496 0.219 1 733 63 63 LYS CE C 41.824 0.219 1 734 63 63 LYS CG C 24.745 0.004 1 735 63 63 LYS N N 122.839 0.088 1 736 64 64 THR H H 9.198 0.007 1 737 64 64 THR HA H 4.724 0.012 1 738 64 64 THR HB H 5.302 0.008 1 739 64 64 THR HG2 H 1.128 0.012 1 740 64 64 THR C C 174.229 0.136 1 741 64 64 THR CA C 59.906 0.035 1 742 64 64 THR CB C 68.949 0.189 1 743 64 64 THR CG2 C 22.010 0.057 1 744 64 64 THR N N 117.601 0.143 1 745 65 65 ARG H H 9.969 0.005 1 746 65 65 ARG HA H 4.114 0.014 1 747 65 65 ARG HB2 H 1.886 0.008 2 748 65 65 ARG HB3 H 1.797 0.008 2 749 65 65 ARG HD2 H 3.158 0.007 2 750 65 65 ARG HD3 H 3.158 0.007 2 751 65 65 ARG HG2 H 1.633 0.015 2 752 65 65 ARG HG3 H 1.633 0.015 2 753 65 65 ARG C C 177.779 0.136 1 754 65 65 ARG CA C 58.965 0.064 1 755 65 65 ARG CB C 30.453 0.067 1 756 65 65 ARG CD C 43.206 0.216 1 757 65 65 ARG CG C 28.397 0.076 1 758 65 65 ARG N N 117.703 0.167 1 759 66 66 THR H H 8.080 0.008 1 760 66 66 THR HA H 4.410 0.007 1 761 66 66 THR HB H 4.067 0.013 1 762 66 66 THR HG2 H 1.084 0.012 1 763 66 66 THR C C 174.540 0.136 1 764 66 66 THR CA C 61.941 0.038 1 765 66 66 THR CB C 71.170 0.054 1 766 66 66 THR CG2 C 21.505 0.219 1 767 66 66 THR N N 105.502 0.141 1 768 67 67 SER H H 7.981 0.008 1 769 67 67 SER HA H 4.720 0.009 1 770 67 67 SER HB2 H 3.594 0.005 2 771 67 67 SER HB3 H 3.594 0.005 2 772 67 67 SER C C 172.130 0.136 1 773 67 67 SER CA C 57.777 0.054 1 774 67 67 SER CB C 65.559 0.056 1 775 67 67 SER N N 117.781 0.169 1 776 68 68 SER H H 7.503 0.007 1 777 68 68 SER HA H 5.381 0.004 1 778 68 68 SER HB2 H 3.737 0.007 2 779 68 68 SER HB3 H 3.867 0.006 2 780 68 68 SER C C 172.851 0.136 1 781 68 68 SER CA C 57.479 0.074 1 782 68 68 SER CB C 65.393 0.073 1 783 68 68 SER N N 111.763 0.156 1 784 69 69 ILE H H 8.041 0.009 1 785 69 69 ILE HA H 5.005 0.007 1 786 69 69 ILE HB H 1.919 0.009 1 787 69 69 ILE HD1 H 0.565 0.007 1 788 69 69 ILE HG12 H 1.298 0.010 2 789 69 69 ILE HG13 H 1.324 0.003 2 790 69 69 ILE HG2 H 1.024 0.006 1 791 69 69 ILE C C 174.359 0.136 1 792 69 69 ILE CA C 60.036 0.068 1 793 69 69 ILE CB C 43.045 0.084 1 794 69 69 ILE CD1 C 14.530 0.023 1 795 69 69 ILE CG1 C 24.774 0.031 1 796 69 69 ILE CG2 C 18.242 0.033 1 797 69 69 ILE N N 109.809 0.163 1 798 70 70 THR H H 7.900 0.022 1 799 70 70 THR HA H 5.050 0.004 1 800 70 70 THR HB H 3.443 0.006 1 801 70 70 THR HG2 H 0.965 0.009 1 802 70 70 THR C C 173.795 0.136 1 803 70 70 THR CA C 61.664 0.007 1 804 70 70 THR CB C 69.828 0.031 1 805 70 70 THR CG2 C 21.856 0.059 1 806 70 70 THR N N 116.670 0.164 1 807 71 71 LEU H H 9.224 0.010 1 808 71 71 LEU HA H 4.906 0.014 1 809 71 71 LEU HB2 H 1.592 0.006 2 810 71 71 LEU HB3 H 2.337 0.007 2 811 71 71 LEU HD1 H 1.076 0.008 2 812 71 71 LEU HD2 H 0.925 0.017 2 813 71 71 LEU HG H 1.894 0.010 1 814 71 71 LEU C C 174.940 0.136 1 815 71 71 LEU CA C 54.038 0.039 1 816 71 71 LEU CB C 40.898 0.052 1 817 71 71 LEU CD1 C 25.289 0.034 2 818 71 71 LEU CD2 C 22.484 0.219 2 819 71 71 LEU CG C 27.518 0.219 1 820 71 71 LEU N N 124.890 0.099 1 821 72 72 ALA H H 8.661 0.014 1 822 72 72 ALA HA H 5.250 0.009 1 823 72 72 ALA HB H 1.202 0.010 1 824 72 72 ALA C C 175.065 0.136 1 825 72 72 ALA CA C 51.739 0.068 1 826 72 72 ALA CB C 21.190 0.077 1 827 72 72 ALA N N 123.659 0.110 1 828 73 73 ILE H H 9.318 0.005 1 829 73 73 ILE HA H 4.994 0.009 1 830 73 73 ILE HB H 1.852 0.005 1 831 73 73 ILE HD1 H 0.844 0.006 1 832 73 73 ILE HG12 H 0.803 0.012 2 833 73 73 ILE HG13 H 1.634 0.010 2 834 73 73 ILE HG2 H 0.660 0.010 1 835 73 73 ILE C C 175.115 0.136 1 836 73 73 ILE CA C 59.942 0.036 1 837 73 73 ILE CB C 41.619 0.062 1 838 73 73 ILE CD1 C 14.655 0.020 1 839 73 73 ILE CG1 C 28.753 0.065 1 840 73 73 ILE CG2 C 16.856 0.028 1 841 73 73 ILE N N 126.165 0.123 1 842 74 74 ARG H H 8.184 0.013 1 843 74 74 ARG HA H 4.059 0.024 1 844 74 74 ARG HB2 H 1.780 0.003 2 845 74 74 ARG HB3 H 1.780 0.003 2 846 74 74 ARG C C 177.314 0.136 1 847 74 74 ARG CA C 54.780 0.011 1 848 74 74 ARG CB C 30.772 0.065 1 849 74 74 ARG N N 125.772 0.223 1 850 75 75 MET H H 7.998 0.006 1 851 75 75 MET HA H 3.788 0.015 1 852 75 75 MET HB2 H 1.624 0.004 2 853 75 75 MET HB3 H 1.913 0.013 2 854 75 75 MET HE H 1.816 0.001 1 855 75 75 MET HG2 H 2.265 0.020 2 856 75 75 MET HG3 H 2.433 0.004 2 857 75 75 MET C C 173.350 0.136 1 858 75 75 MET CA C 58.680 0.053 1 859 75 75 MET CB C 34.655 0.050 1 860 75 75 MET CE C 16.859 0.054 1 861 75 75 MET CG C 33.749 0.003 1 862 75 75 MET N N 122.866 0.064 1 863 76 76 ASP H H 8.070 0.009 1 864 76 76 ASP HA H 4.293 0.004 1 865 76 76 ASP HB2 H 2.491 0.009 2 866 76 76 ASP HB3 H 2.491 0.009 2 867 76 76 ASP C C 177.248 0.136 1 868 76 76 ASP CA C 55.189 0.044 1 869 76 76 ASP CB C 39.538 0.085 1 870 76 76 ASP N N 112.366 0.204 1 871 77 77 ASN H H 8.009 0.011 1 872 77 77 ASN HA H 4.972 0.009 1 873 77 77 ASN HB2 H 2.901 0.006 2 874 77 77 ASN HB3 H 2.754 0.006 2 875 77 77 ASN HD21 H 6.194 0.005 2 876 77 77 ASN HD22 H 7.411 0.003 2 877 77 77 ASN C C 174.162 0.136 1 878 77 77 ASN CA C 51.666 0.014 1 879 77 77 ASN CB C 39.233 0.147 1 880 77 77 ASN N N 113.939 0.169 1 881 77 77 ASN ND2 N 107.117 0.053 1 882 78 78 LEU H H 8.116 0.005 1 883 78 78 LEU HA H 3.886 0.010 1 884 78 78 LEU HB2 H 1.525 0.006 2 885 78 78 LEU HB3 H 1.525 0.006 2 886 78 78 LEU HD1 H 0.758 0.006 2 887 78 78 LEU HD2 H 0.758 0.006 2 888 78 78 LEU HG H 1.626 0.009 1 889 78 78 LEU C C 172.987 0.136 1 890 78 78 LEU CA C 55.311 0.049 1 891 78 78 LEU CB C 38.877 0.075 1 892 78 78 LEU CD1 C 27.899 0.219 2 893 78 78 LEU CD2 C 27.881 0.013 2 894 78 78 LEU CG C 26.498 0.046 1 895 78 78 LEU N N 116.813 0.038 1 896 79 79 TYR H H 7.558 0.011 1 897 79 79 TYR HA H 4.762 0.012 1 898 79 79 TYR HB2 H 2.785 0.009 2 899 79 79 TYR HB3 H 2.648 0.023 2 900 79 79 TYR HD1 H 7.210 0.004 3 901 79 79 TYR HD2 H 7.210 0.004 3 902 79 79 TYR HE1 H 6.321 0.003 3 903 79 79 TYR HE2 H 6.321 0.003 3 904 79 79 TYR C C 175.236 0.136 1 905 79 79 TYR CA C 57.795 0.039 1 906 79 79 TYR CB C 40.794 0.072 1 907 79 79 TYR N N 114.553 0.186 1 908 80 80 LEU H H 7.320 0.008 1 909 80 80 LEU HA H 4.529 0.007 1 910 80 80 LEU HB2 H 2.076 0.006 2 911 80 80 LEU HB3 H 1.554 0.013 2 912 80 80 LEU HD1 H 1.000 0.012 2 913 80 80 LEU HD2 H 1.000 0.012 2 914 80 80 LEU HG H 1.305 0.010 1 915 80 80 LEU C C 175.136 0.136 1 916 80 80 LEU CA C 55.320 0.061 1 917 80 80 LEU CB C 43.413 0.070 1 918 80 80 LEU CD1 C 26.454 0.046 2 919 80 80 LEU CD2 C 26.557 0.068 2 920 80 80 LEU CG C 27.371 0.046 1 921 80 80 LEU N N 126.658 0.132 1 922 81 81 VAL H H 9.087 0.007 1 923 81 81 VAL HA H 4.745 0.005 1 924 81 81 VAL HB H 2.266 0.005 1 925 81 81 VAL HG1 H 1.514 0.006 2 926 81 81 VAL HG2 H 1.472 0.008 2 927 81 81 VAL C C 175.006 0.136 1 928 81 81 VAL CA C 64.223 0.031 1 929 81 81 VAL CB C 35.028 0.050 1 930 81 81 VAL CG1 C 23.448 0.042 2 931 81 81 VAL CG2 C 23.368 0.219 2 932 81 81 VAL N N 126.381 0.130 1 933 82 82 GLY H H 7.684 0.009 1 934 82 82 GLY HA2 H 4.081 0.002 2 935 82 82 GLY HA3 H 4.842 0.013 2 936 82 82 GLY C C 170.802 0.136 1 937 82 82 GLY CA C 46.645 0.083 1 938 82 82 GLY N N 102.616 0.179 1 939 83 83 PHE H H 9.116 0.007 1 940 83 83 PHE HA H 6.185 0.008 1 941 83 83 PHE HB2 H 2.832 0.009 2 942 83 83 PHE HB3 H 2.832 0.009 2 943 83 83 PHE HD1 H 6.761 0.007 3 944 83 83 PHE HD2 H 6.761 0.007 3 945 83 83 PHE HE1 H 7.081 0.007 3 946 83 83 PHE HE2 H 7.081 0.007 3 947 83 83 PHE C C 170.677 0.136 1 948 83 83 PHE CA C 55.434 0.030 1 949 83 83 PHE CB C 43.868 0.053 1 950 83 83 PHE N N 115.220 0.151 1 951 84 84 ARG H H 8.889 0.010 1 952 84 84 ARG HA H 4.884 0.012 1 953 84 84 ARG HB2 H 0.509 0.005 2 954 84 84 ARG HB3 H 0.509 0.005 2 955 84 84 ARG HD2 H 2.243 0.007 2 956 84 84 ARG HD3 H 2.460 0.006 2 957 84 84 ARG HG2 H -0.293 0.011 2 958 84 84 ARG HG3 H 1.190 0.010 2 959 84 84 ARG C C 178.158 0.136 1 960 84 84 ARG CA C 52.606 0.079 1 961 84 84 ARG CB C 31.885 0.021 1 962 84 84 ARG CD C 43.238 0.051 1 963 84 84 ARG CG C 25.377 0.040 1 964 84 84 ARG N N 123.440 0.132 1 965 85 85 THR H H 8.685 0.011 1 966 85 85 THR HA H 4.782 0.008 1 967 85 85 THR HB H 5.051 0.005 1 968 85 85 THR HG2 H 1.724 0.005 1 969 85 85 THR C C 174.490 0.136 1 970 85 85 THR CA C 60.410 0.015 1 971 85 85 THR CB C 68.467 0.047 1 972 85 85 THR CG2 C 23.027 0.036 1 973 85 85 THR N N 118.037 0.170 1 974 86 86 PRO HA H 4.367 0.005 1 975 86 86 PRO HB2 H 2.428 0.001 2 976 86 86 PRO HB3 H 1.981 0.001 2 977 86 86 PRO HD2 H 4.352 0.006 2 978 86 86 PRO HD3 H 4.352 0.006 2 979 86 86 PRO HG2 H 2.271 0.005 2 980 86 86 PRO HG3 H 2.421 0.001 2 981 86 86 PRO CA C 65.242 0.022 1 982 86 86 PRO CD C 51.034 0.030 1 983 86 86 PRO CG C 28.203 0.219 1 984 87 87 GLY HA2 H 4.106 0.002 2 985 87 87 GLY HA3 H 3.758 0.001 2 986 87 87 GLY CA C 44.840 0.219 1 987 88 88 GLY H H 8.129 0.009 1 988 88 88 GLY HA2 H 3.230 0.006 2 989 88 88 GLY HA3 H 4.078 0.006 2 990 88 88 GLY C C 173.075 0.136 1 991 88 88 GLY CA C 44.940 0.126 1 992 88 88 GLY N N 107.959 0.179 1 993 89 89 VAL H H 6.858 0.010 1 994 89 89 VAL HA H 3.852 0.008 1 995 89 89 VAL HB H 1.841 0.010 1 996 89 89 VAL HG1 H 0.645 0.004 2 997 89 89 VAL HG2 H 0.046 0.004 2 998 89 89 VAL C C 174.922 0.136 1 999 89 89 VAL CA C 61.661 0.045 1 1000 89 89 VAL CB C 32.698 0.045 1 1001 89 89 VAL CG1 C 21.207 0.050 2 1002 89 89 VAL CG2 C 20.170 0.082 2 1003 89 89 VAL N N 120.783 0.245 1 1004 90 90 TRP H H 8.391 0.010 1 1005 90 90 TRP HA H 4.660 0.011 1 1006 90 90 TRP HB2 H 2.525 0.010 2 1007 90 90 TRP HB3 H 2.525 0.010 2 1008 90 90 TRP HD1 H 7.166 0.007 1 1009 90 90 TRP HE1 H 10.393 0.009 1 1010 90 90 TRP HE3 H 6.957 0.017 1 1011 90 90 TRP C C 173.995 0.136 1 1012 90 90 TRP CA C 56.408 0.057 1 1013 90 90 TRP CB C 30.686 0.076 1 1014 90 90 TRP CD1 C 128.103 0.228 1 1015 90 90 TRP N N 126.277 0.146 1 1016 90 90 TRP NE1 N 128.673 0.011 1 1017 91 91 TRP H H 9.017 0.010 1 1018 91 91 TRP HA H 4.670 0.030 1 1019 91 91 TRP HB2 H 2.392 0.014 2 1020 91 91 TRP HB3 H 1.706 0.016 2 1021 91 91 TRP HD1 H 6.420 0.003 1 1022 91 91 TRP HE1 H 9.350 0.009 1 1023 91 91 TRP HE3 H 6.970 0.001 1 1024 91 91 TRP HZ2 H 7.018 0.007 1 1025 91 91 TRP C C 174.495 0.136 1 1026 91 91 TRP CA C 55.251 0.001 1 1027 91 91 TRP CB C 30.478 0.044 1 1028 91 91 TRP CD1 C 127.519 0.228 1 1029 91 91 TRP N N 123.955 0.113 1 1030 91 91 TRP NE1 N 126.878 0.044 1 1031 92 92 GLU H H 8.935 0.010 1 1032 92 92 GLU HA H 5.015 0.009 1 1033 92 92 GLU HB2 H 1.637 0.007 2 1034 92 92 GLU HB3 H 1.637 0.007 2 1035 92 92 GLU HG2 H 2.597 0.006 2 1036 92 92 GLU HG3 H 3.191 0.008 2 1037 92 92 GLU C C 176.452 0.136 1 1038 92 92 GLU CA C 54.640 0.051 1 1039 92 92 GLU CB C 34.133 0.106 1 1040 92 92 GLU CG C 36.174 0.021 1 1041 92 92 GLU N N 123.358 0.200 1 1042 93 93 PHE H H 8.645 0.011 1 1043 93 93 PHE HA H 4.779 0.013 1 1044 93 93 PHE HB2 H 3.339 0.009 2 1045 93 93 PHE HB3 H 3.339 0.009 2 1046 93 93 PHE HD1 H 7.558 0.006 3 1047 93 93 PHE HD2 H 7.558 0.006 3 1048 93 93 PHE HE1 H 7.301 0.018 3 1049 93 93 PHE HE2 H 7.301 0.018 3 1050 93 93 PHE C C 174.523 0.136 1 1051 93 93 PHE CA C 60.771 0.014 1 1052 93 93 PHE CB C 40.220 0.081 1 1053 93 93 PHE CD1 C 133.464 0.228 3 1054 93 93 PHE CD2 C 133.454 0.228 3 1055 93 93 PHE CE1 C 131.400 0.228 3 1056 93 93 PHE CE2 C 131.358 0.228 3 1057 93 93 PHE N N 125.114 0.139 1 1058 94 94 GLY H H 8.011 0.014 1 1059 94 94 GLY HA2 H 3.343 0.007 2 1060 94 94 GLY HA3 H 4.559 0.004 2 1061 94 94 GLY C C 170.602 0.136 1 1062 94 94 GLY CA C 44.099 0.095 1 1063 94 94 GLY N N 112.051 0.142 1 1064 95 95 LYS H H 7.321 0.010 1 1065 95 95 LYS HA H 4.220 0.014 1 1066 95 95 LYS HB2 H 1.451 0.001 2 1067 95 95 LYS HB3 H 1.344 0.002 2 1068 95 95 LYS HD2 H 1.466 0.005 2 1069 95 95 LYS HD3 H 1.466 0.005 2 1070 95 95 LYS HE2 H 2.901 0.007 2 1071 95 95 LYS HE3 H 2.901 0.007 2 1072 95 95 LYS HG2 H 0.907 0.005 2 1073 95 95 LYS HG3 H 1.004 0.003 2 1074 95 95 LYS C C 172.612 0.136 1 1075 95 95 LYS CA C 53.136 0.066 1 1076 95 95 LYS CB C 36.059 0.037 1 1077 95 95 LYS CD C 29.670 0.219 1 1078 95 95 LYS CE C 42.095 0.002 1 1079 95 95 LYS CG C 22.919 0.083 1 1080 95 95 LYS N N 115.347 0.195 1 1081 96 96 ASP H H 7.739 0.011 1 1082 96 96 ASP HA H 4.065 0.006 1 1083 96 96 ASP HB2 H 2.515 0.002 2 1084 96 96 ASP HB3 H 2.479 0.005 2 1085 96 96 ASP C C 176.483 0.136 1 1086 96 96 ASP CA C 56.610 0.072 1 1087 96 96 ASP CB C 41.061 0.088 1 1088 96 96 ASP N N 116.249 0.189 1 1089 97 97 GLY H H 8.455 0.007 1 1090 97 97 GLY HA2 H 4.389 0.001 2 1091 97 97 GLY HA3 H 3.550 0.001 2 1092 97 97 GLY CA C 44.602 0.029 1 1093 97 97 GLY N N 102.352 0.156 1 1094 98 98 ASP H H 7.794 0.012 1 1095 98 98 ASP HA H 4.584 0.020 1 1096 98 98 ASP HB2 H 2.331 0.010 2 1097 98 98 ASP HB3 H 1.975 0.020 2 1098 98 98 ASP C C 175.311 0.136 1 1099 98 98 ASP CA C 54.207 0.060 1 1100 98 98 ASP CB C 41.526 0.060 1 1101 98 98 ASP N N 122.318 0.183 1 1102 99 99 THR H H 8.677 0.010 1 1103 99 99 THR HA H 4.634 0.014 1 1104 99 99 THR HB H 4.070 0.006 1 1105 99 99 THR HG2 H 1.257 0.005 1 1106 99 99 THR C C 174.673 0.136 1 1107 99 99 THR CA C 62.079 0.042 1 1108 99 99 THR CB C 70.032 0.045 1 1109 99 99 THR CG2 C 21.063 0.219 1 1110 99 99 THR N N 117.032 0.231 1 1111 100 100 HIS H H 9.193 0.007 1 1112 100 100 HIS HA H 4.563 0.012 1 1113 100 100 HIS HB2 H 2.907 0.007 2 1114 100 100 HIS HB3 H 2.981 0.003 2 1115 100 100 HIS HD2 H 7.157 0.005 1 1116 100 100 HIS HE1 H 7.751 0.006 1 1117 100 100 HIS C C 175.888 0.136 1 1118 100 100 HIS CA C 57.313 0.036 1 1119 100 100 HIS CB C 28.266 0.056 1 1120 100 100 HIS CD2 C 121.005 0.228 1 1121 100 100 HIS N N 126.802 0.125 1 1122 101 101 LEU HA H 4.522 0.011 1 1123 101 101 LEU HB2 H 1.703 0.013 2 1124 101 101 LEU HB3 H 2.145 0.012 2 1125 101 101 LEU HD1 H 1.134 0.002 2 1126 101 101 LEU HD2 H 1.134 0.002 2 1127 101 101 LEU HG H 1.224 0.005 1 1128 101 101 LEU CA C 55.041 0.075 1 1129 101 101 LEU CB C 43.538 0.065 1 1130 101 101 LEU CD2 C 23.419 0.219 2 1131 101 101 LEU CG C 26.300 0.020 1 1132 102 102 LEU H H 7.213 0.013 1 1133 102 102 LEU HA H 3.709 0.010 1 1134 102 102 LEU HB2 H 0.515 0.007 2 1135 102 102 LEU HB3 H 1.159 0.010 2 1136 102 102 LEU HD1 H -0.252 0.006 2 1137 102 102 LEU HD2 H 1.146 0.006 2 1138 102 102 LEU HG H 0.444 0.007 1 1139 102 102 LEU C C 175.647 0.136 1 1140 102 102 LEU CA C 53.197 0.037 1 1141 102 102 LEU CB C 40.920 0.073 1 1142 102 102 LEU CD1 C 21.705 0.032 2 1143 102 102 LEU CD2 C 26.189 0.099 2 1144 102 102 LEU CG C 25.904 0.135 1 1145 102 102 LEU N N 115.474 0.157 1 1146 103 103 GLY H H 6.385 0.010 1 1147 103 103 GLY HA2 H 3.170 0.006 2 1148 103 103 GLY HA3 H 3.962 0.006 2 1149 103 103 GLY C C 172.142 0.136 1 1150 103 103 GLY CA C 43.671 0.079 1 1151 103 103 GLY N N 104.353 0.157 1 1152 104 104 ASP H H 7.969 0.007 1 1153 104 104 ASP HA H 4.079 0.009 1 1154 104 104 ASP HB2 H 2.936 0.006 2 1155 104 104 ASP HB3 H 2.563 0.001 2 1156 104 104 ASP C C 174.398 0.136 1 1157 104 104 ASP CA C 55.713 0.009 1 1158 104 104 ASP CB C 39.678 0.078 1 1159 104 104 ASP N N 112.367 0.149 1 1160 105 105 ASN H H 8.314 0.010 1 1161 105 105 ASN HA H 4.112 0.005 1 1162 105 105 ASN HB2 H 2.667 0.010 2 1163 105 105 ASN HB3 H 2.776 0.004 2 1164 105 105 ASN HD21 H 6.726 0.001 2 1165 105 105 ASN HD22 H 7.465 0.002 2 1166 105 105 ASN C C 171.526 0.136 1 1167 105 105 ASN CA C 53.297 0.096 1 1168 105 105 ASN CB C 37.389 0.059 1 1169 105 105 ASN CG C 178.390 0.136 1 1170 105 105 ASN N N 112.736 0.133 1 1171 105 105 ASN ND2 N 113.124 0.010 1 1172 106 106 PRO HA H 4.320 0.010 1 1173 106 106 PRO HB2 H 1.396 0.009 2 1174 106 106 PRO HB3 H 0.951 0.005 2 1175 106 106 PRO HD2 H 2.603 0.011 2 1176 106 106 PRO HD3 H 2.766 0.004 2 1177 106 106 PRO HG2 H -0.165 0.007 2 1178 106 106 PRO HG3 H 1.060 0.005 2 1179 106 106 PRO CA C 61.939 0.009 1 1180 106 106 PRO CB C 32.509 0.028 1 1181 106 106 PRO CD C 49.327 0.023 1 1182 106 106 PRO CG C 25.709 0.037 1 1183 107 107 ARG H H 8.427 0.061 1 1184 107 107 ARG HA H 4.203 0.007 1 1185 107 107 ARG HB2 H 0.278 0.015 2 1186 107 107 ARG HB3 H 1.153 0.014 2 1187 107 107 ARG HD2 H 2.233 0.005 2 1188 107 107 ARG HD3 H 2.402 0.004 2 1189 107 107 ARG HG2 H 1.010 0.007 2 1190 107 107 ARG HG3 H 0.833 0.004 2 1191 107 107 ARG C C 176.260 0.136 1 1192 107 107 ARG CA C 53.233 0.071 1 1193 107 107 ARG CB C 32.038 0.067 1 1194 107 107 ARG CD C 42.781 0.036 1 1195 107 107 ARG CG C 26.483 0.021 1 1196 107 107 ARG N N 118.406 0.173 1 1197 108 108 TRP H H 8.460 0.006 1 1198 108 108 TRP HA H 5.388 0.012 1 1199 108 108 TRP HB2 H 3.363 0.005 2 1200 108 108 TRP HB3 H 3.039 0.009 2 1201 108 108 TRP HD1 H 7.328 0.017 1 1202 108 108 TRP HE1 H 9.899 0.002 1 1203 108 108 TRP HE3 H 7.241 0.007 1 1204 108 108 TRP HZ2 H 6.408 0.007 1 1205 108 108 TRP C C 178.351 0.136 1 1206 108 108 TRP CA C 55.742 0.055 1 1207 108 108 TRP CB C 31.195 0.068 1 1208 108 108 TRP CD1 C 127.966 0.228 1 1209 108 108 TRP N N 121.082 0.125 1 1210 108 108 TRP NE1 N 128.414 0.048 1 1211 109 109 LEU H H 9.187 0.007 1 1212 109 109 LEU HA H 4.271 0.011 1 1213 109 109 LEU HB2 H 1.566 0.011 2 1214 109 109 LEU HB3 H 0.600 0.010 2 1215 109 109 LEU HD1 H 0.802 0.005 2 1216 109 109 LEU HD2 H 0.802 0.005 2 1217 109 109 LEU HG H 0.354 0.008 1 1218 109 109 LEU C C 177.403 0.136 1 1219 109 109 LEU CA C 57.025 0.059 1 1220 109 109 LEU CB C 42.335 0.074 1 1221 109 109 LEU CD1 C 23.982 0.219 2 1222 109 109 LEU CD2 C 23.982 0.219 2 1223 109 109 LEU CG C 25.483 0.045 1 1224 109 109 LEU N N 120.011 0.110 1 1225 110 110 GLY H H 8.544 0.008 1 1226 110 110 GLY HA2 H 4.523 0.007 2 1227 110 110 GLY HA3 H 3.736 0.008 2 1228 110 110 GLY C C 172.558 0.136 1 1229 110 110 GLY CA C 45.216 0.079 1 1230 110 110 GLY N N 103.367 0.156 1 1231 111 111 PHE H H 7.160 0.006 1 1232 111 111 PHE HA H 4.819 0.004 1 1233 111 111 PHE HB2 H 3.331 0.012 2 1234 111 111 PHE HB3 H 3.223 0.004 2 1235 111 111 PHE HD1 H 7.134 0.007 3 1236 111 111 PHE HD2 H 7.134 0.007 3 1237 111 111 PHE HE1 H 7.134 0.007 3 1238 111 111 PHE HE2 H 7.134 0.007 3 1239 111 111 PHE C C 174.254 0.136 1 1240 111 111 PHE CA C 54.085 0.087 1 1241 111 111 PHE CB C 40.885 0.113 1 1242 111 111 PHE N N 114.557 0.137 1 1243 112 112 GLY H H 8.472 0.008 1 1244 112 112 GLY HA2 H 3.814 0.002 2 1245 112 112 GLY HA3 H 4.263 0.009 2 1246 112 112 GLY C C 170.655 0.136 1 1247 112 112 GLY CA C 44.484 0.101 1 1248 112 112 GLY N N 107.017 0.115 1 1249 113 113 GLY H H 7.554 0.009 1 1250 113 113 GLY HA2 H 2.108 0.007 2 1251 113 113 GLY HA3 H 3.362 0.007 2 1252 113 113 GLY C C 175.601 0.136 1 1253 113 113 GLY CA C 43.341 0.219 1 1254 113 113 GLY N N 99.538 0.177 1 1255 114 114 ARG H H 8.013 0.014 1 1256 114 114 ARG HA H 4.331 0.007 1 1257 114 114 ARG C C 178.985 0.136 1 1258 114 114 ARG CA C 54.782 0.022 1 1259 114 114 ARG CB C 30.585 0.219 1 1260 114 114 ARG N N 117.830 0.202 1 1261 115 115 TYR HA H 4.144 0.007 1 1262 115 115 TYR HB2 H 3.073 0.005 2 1263 115 115 TYR HB3 H 2.830 0.010 2 1264 115 115 TYR HD1 H 7.134 0.012 3 1265 115 115 TYR HD2 H 7.134 0.012 3 1266 115 115 TYR HE1 H 6.768 0.008 3 1267 115 115 TYR HE2 H 6.768 0.008 3 1268 115 115 TYR CA C 65.025 0.015 1 1269 115 115 TYR CB C 36.184 0.014 1 1270 115 115 TYR CD1 C 133.445 0.228 3 1271 115 115 TYR CD2 C 133.445 0.228 3 1272 116 116 GLN HA H 4.368 0.011 1 1273 116 116 GLN HB2 H 2.026 0.006 2 1274 116 116 GLN HB3 H 1.895 0.006 2 1275 116 116 GLN HE21 H 6.832 0.007 2 1276 116 116 GLN HE22 H 7.540 0.001 2 1277 116 116 GLN HG2 H 2.327 0.006 2 1278 116 116 GLN HG3 H 2.327 0.006 2 1279 116 116 GLN CA C 58.754 0.219 1 1280 116 116 GLN CB C 28.136 0.033 1 1281 116 116 GLN CD C 180.195 0.136 1 1282 116 116 GLN CG C 33.740 0.015 1 1283 116 116 GLN NE2 N 111.403 0.056 1 1284 117 117 ASP H H 6.996 0.007 1 1285 117 117 ASP HA H 4.423 0.017 1 1286 117 117 ASP HB2 H 2.888 0.018 2 1287 117 117 ASP HB3 H 2.705 0.020 2 1288 117 117 ASP C C 176.696 0.136 1 1289 117 117 ASP CA C 56.668 0.067 1 1290 117 117 ASP CB C 42.799 0.067 1 1291 117 117 ASP N N 116.564 0.162 1 1292 118 118 LEU H H 7.690 0.010 1 1293 118 118 LEU HA H 4.148 0.014 1 1294 118 118 LEU HB2 H 1.803 0.011 2 1295 118 118 LEU HB3 H 1.508 0.011 2 1296 118 118 LEU HD1 H 1.202 0.009 2 1297 118 118 LEU HD2 H 1.202 0.009 2 1298 118 118 LEU HG H 0.721 0.009 1 1299 118 118 LEU C C 177.692 0.136 1 1300 118 118 LEU CA C 56.930 0.053 1 1301 118 118 LEU CB C 44.154 0.056 1 1302 118 118 LEU CD1 C 23.526 0.052 2 1303 118 118 LEU CD2 C 23.578 0.219 2 1304 118 118 LEU CG C 25.216 0.025 1 1305 118 118 LEU N N 116.543 0.141 1 1306 119 119 ILE H H 8.896 0.006 1 1307 119 119 ILE HA H 4.583 0.020 1 1308 119 119 ILE HB H 2.092 0.004 1 1309 119 119 ILE HD1 H 0.453 0.006 1 1310 119 119 ILE HG12 H 1.078 0.005 2 1311 119 119 ILE HG13 H 1.308 0.003 2 1312 119 119 ILE HG2 H 0.816 0.007 1 1313 119 119 ILE C C 176.669 0.136 1 1314 119 119 ILE CA C 60.152 0.057 1 1315 119 119 ILE CB C 40.531 0.076 1 1316 119 119 ILE CD1 C 13.853 0.030 1 1317 119 119 ILE CG1 C 25.638 0.219 1 1318 119 119 ILE CG2 C 18.955 0.027 1 1319 119 119 ILE N N 109.499 0.146 1 1320 120 120 GLY H H 7.351 0.006 1 1321 120 120 GLY HA2 H 4.009 0.002 2 1322 120 120 GLY HA3 H 3.879 0.011 2 1323 120 120 GLY C C 173.938 0.136 1 1324 120 120 GLY CA C 47.184 0.219 1 1325 120 120 GLY N N 112.477 0.122 1 1326 121 121 ASN HA H 4.753 0.002 1 1327 121 121 ASN HB2 H 2.831 0.005 2 1328 121 121 ASN HB3 H 2.831 0.005 2 1329 121 121 ASN HD21 H 6.824 0.004 2 1330 121 121 ASN HD22 H 7.515 0.007 2 1331 121 121 ASN CA C 52.405 0.219 1 1332 121 121 ASN CB C 38.093 0.219 1 1333 121 121 ASN CG C 177.548 0.011 1 1334 121 121 ASN ND2 N 111.406 0.034 1 1335 122 122 LYS H H 7.438 0.010 1 1336 122 122 LYS HA H 4.145 0.004 1 1337 122 122 LYS HB2 H 1.785 0.024 2 1338 122 122 LYS HB3 H 1.785 0.024 2 1339 122 122 LYS HD2 H 1.512 0.018 2 1340 122 122 LYS HD3 H 1.512 0.018 2 1341 122 122 LYS HE2 H 3.052 0.013 2 1342 122 122 LYS HE3 H 3.052 0.013 2 1343 122 122 LYS HG2 H 1.764 0.013 2 1344 122 122 LYS HG3 H 1.764 0.013 2 1345 122 122 LYS C C 175.462 0.136 1 1346 122 122 LYS CA C 56.469 0.219 1 1347 122 122 LYS CB C 33.641 0.050 1 1348 122 122 LYS CD C 29.070 0.219 1 1349 122 122 LYS CE C 42.315 0.219 1 1350 122 122 LYS CG C 25.479 0.219 1 1351 122 122 LYS N N 120.102 0.215 1 1352 123 123 GLY H H 8.337 0.009 1 1353 123 123 GLY HA2 H 4.103 0.009 2 1354 123 123 GLY HA3 H 4.103 0.009 2 1355 123 123 GLY C C 176.025 0.136 1 1356 123 123 GLY CA C 44.104 0.106 1 1357 123 123 GLY N N 105.551 0.100 1 1358 124 124 LEU H H 9.162 0.010 1 1359 124 124 LEU HA H 3.711 0.009 1 1360 124 124 LEU HB2 H 1.315 0.005 2 1361 124 124 LEU HB3 H 1.315 0.005 2 1362 124 124 LEU HD1 H 0.381 0.011 2 1363 124 124 LEU HD2 H 0.274 0.004 2 1364 124 124 LEU HG H 1.250 0.004 1 1365 124 124 LEU C C 178.681 0.136 1 1366 124 124 LEU CA C 57.099 0.038 1 1367 124 124 LEU CB C 42.327 0.087 1 1368 124 124 LEU CD1 C 24.507 0.054 2 1369 124 124 LEU CD2 C 23.415 0.034 2 1370 124 124 LEU CG C 28.206 0.015 1 1371 124 124 LEU N N 122.394 0.178 1 1372 125 125 GLU H H 10.280 0.007 1 1373 125 125 GLU HA H 4.321 0.011 1 1374 125 125 GLU HB2 H 2.134 0.004 2 1375 125 125 GLU HB3 H 1.637 0.004 2 1376 125 125 GLU HG2 H 2.339 0.013 2 1377 125 125 GLU HG3 H 1.910 0.006 2 1378 125 125 GLU C C 174.865 0.136 1 1379 125 125 GLU CA C 58.624 0.022 1 1380 125 125 GLU CB C 26.803 0.065 1 1381 125 125 GLU CG C 34.809 0.083 1 1382 125 125 GLU N N 121.392 0.128 1 1383 126 126 THR H H 7.378 0.007 1 1384 126 126 THR HA H 4.255 0.017 1 1385 126 126 THR HB H 4.411 0.003 1 1386 126 126 THR HG2 H 1.275 0.009 1 1387 126 126 THR C C 174.770 0.136 1 1388 126 126 THR CA C 62.417 0.034 1 1389 126 126 THR CB C 70.160 0.058 1 1390 126 126 THR CG2 C 21.800 0.053 1 1391 126 126 THR N N 109.032 0.127 1 1392 127 127 VAL H H 7.330 0.010 1 1393 127 127 VAL HA H 3.950 0.008 1 1394 127 127 VAL HB H 2.241 0.014 1 1395 127 127 VAL HG1 H 0.906 0.003 2 1396 127 127 VAL HG2 H 0.906 0.003 2 1397 127 127 VAL C C 174.885 0.136 1 1398 127 127 VAL CA C 62.349 0.030 1 1399 127 127 VAL CB C 32.120 0.019 1 1400 127 127 VAL CG1 C 21.592 0.219 2 1401 127 127 VAL CG2 C 21.571 0.018 2 1402 127 127 VAL N N 123.378 0.171 1 1403 128 128 THR H H 8.480 0.009 1 1404 128 128 THR HA H 4.300 0.011 1 1405 128 128 THR HB H 3.934 0.017 1 1406 128 128 THR HG2 H 1.173 0.007 1 1407 128 128 THR C C 175.074 0.136 1 1408 128 128 THR CA C 63.294 0.004 1 1409 128 128 THR CB C 69.041 0.156 1 1410 128 128 THR CG2 C 22.861 0.072 1 1411 128 128 THR N N 122.793 0.178 1 1412 129 129 MET H H 8.945 0.008 1 1413 129 129 MET HA H 4.513 0.006 1 1414 129 129 MET HB2 H 2.102 0.007 2 1415 129 129 MET HB3 H 2.102 0.007 2 1416 129 129 MET HE H 1.920 0.008 1 1417 129 129 MET HG2 H 2.768 0.011 2 1418 129 129 MET HG3 H 2.768 0.011 2 1419 129 129 MET C C 173.514 0.136 1 1420 129 129 MET CA C 54.877 0.053 1 1421 129 129 MET CB C 38.112 0.219 1 1422 129 129 MET CE C 16.794 0.052 1 1423 129 129 MET CG C 32.200 0.219 1 1424 129 129 MET N N 121.876 0.158 1 1425 130 130 GLY H H 6.913 0.010 1 1426 130 130 GLY HA2 H 3.370 0.009 2 1427 130 130 GLY HA3 H 5.050 0.004 2 1428 130 130 GLY C C 171.990 0.136 1 1429 130 130 GLY CA C 43.913 0.063 1 1430 130 130 GLY N N 104.352 0.144 1 1431 131 131 ARG H H 8.380 0.005 1 1432 131 131 ARG HA H 2.864 0.006 1 1433 131 131 ARG HB2 H 1.130 0.013 2 1434 131 131 ARG HB3 H 1.385 0.004 2 1435 131 131 ARG C C 178.968 0.136 1 1436 131 131 ARG CA C 60.816 0.027 1 1437 131 131 ARG CB C 30.695 0.193 1 1438 131 131 ARG N N 122.710 0.050 1 1439 132 132 ALA H H 8.417 0.012 1 1440 132 132 ALA HA H 4.006 0.005 1 1441 132 132 ALA HB H 1.378 0.004 1 1442 132 132 ALA C C 180.746 0.136 1 1443 132 132 ALA CA C 55.423 0.049 1 1444 132 132 ALA CB C 17.303 0.054 1 1445 132 132 ALA N N 123.817 0.195 1 1446 133 133 GLU H H 7.739 0.006 1 1447 133 133 GLU HA H 3.950 0.015 1 1448 133 133 GLU HB2 H 1.725 0.005 2 1449 133 133 GLU HB3 H 1.937 0.003 2 1450 133 133 GLU HG2 H 1.962 0.007 2 1451 133 133 GLU HG3 H 2.107 0.007 2 1452 133 133 GLU C C 179.506 0.136 1 1453 133 133 GLU CA C 58.140 0.003 1 1454 133 133 GLU CB C 29.521 0.045 1 1455 133 133 GLU CG C 34.945 0.065 1 1456 133 133 GLU N N 116.363 0.071 1 1457 134 134 MET H H 8.643 0.009 1 1458 134 134 MET HA H 3.666 0.013 1 1459 134 134 MET HB2 H 2.118 0.013 2 1460 134 134 MET HB3 H 2.118 0.013 2 1461 134 134 MET HE H 2.224 0.002 1 1462 134 134 MET HG2 H 2.445 0.005 2 1463 134 134 MET HG3 H 2.445 0.005 2 1464 134 134 MET C C 176.289 0.136 1 1465 134 134 MET CA C 60.159 0.065 1 1466 134 134 MET CB C 33.821 0.049 1 1467 134 134 MET CE C 18.203 0.017 1 1468 134 134 MET CG C 33.042 0.219 1 1469 134 134 MET N N 119.977 0.079 1 1470 135 135 THR H H 8.352 0.010 1 1471 135 135 THR HA H 3.416 0.008 1 1472 135 135 THR HB H 4.209 0.002 1 1473 135 135 THR HG2 H 1.014 0.008 1 1474 135 135 THR C C 176.314 0.136 1 1475 135 135 THR CA C 67.105 0.059 1 1476 135 135 THR CB C 68.822 0.159 1 1477 135 135 THR CG2 C 20.854 0.080 1 1478 135 135 THR N N 116.949 0.126 1 1479 136 136 ARG H H 7.688 0.007 1 1480 136 136 ARG HA H 3.906 0.009 1 1481 136 136 ARG HB2 H 1.790 0.009 2 1482 136 136 ARG HB3 H 1.790 0.009 2 1483 136 136 ARG HD2 H 3.097 0.019 2 1484 136 136 ARG HD3 H 3.097 0.019 2 1485 136 136 ARG HG2 H 1.599 0.003 2 1486 136 136 ARG HG3 H 1.599 0.003 2 1487 136 136 ARG C C 177.852 0.136 1 1488 136 136 ARG CA C 59.081 0.011 1 1489 136 136 ARG CB C 30.473 0.110 1 1490 136 136 ARG CD C 43.445 0.219 1 1491 136 136 ARG CG C 27.847 0.219 1 1492 136 136 ARG N N 118.691 0.171 1 1493 137 137 ALA H H 7.822 0.012 1 1494 137 137 ALA HA H 3.827 0.014 1 1495 137 137 ALA HB H 1.400 0.007 1 1496 137 137 ALA C C 178.311 0.136 1 1497 137 137 ALA CA C 55.670 0.219 1 1498 137 137 ALA CB C 17.867 0.064 1 1499 137 137 ALA N N 119.030 0.171 1 1500 138 138 VAL H H 8.042 0.012 1 1501 138 138 VAL HA H 3.185 0.010 1 1502 138 138 VAL HB H 1.921 0.016 1 1503 138 138 VAL HG1 H 0.945 0.006 2 1504 138 138 VAL HG2 H 0.879 0.011 2 1505 138 138 VAL C C 176.360 0.136 1 1506 138 138 VAL CA C 67.192 0.069 1 1507 138 138 VAL CB C 31.359 0.219 1 1508 138 138 VAL CG1 C 24.623 0.055 2 1509 138 138 VAL CG2 C 21.403 0.219 2 1510 138 138 VAL N N 116.602 0.168 1 1511 139 139 ASN H H 7.951 0.010 1 1512 139 139 ASN HA H 4.299 0.015 1 1513 139 139 ASN HB2 H 2.668 0.003 2 1514 139 139 ASN HB3 H 2.668 0.003 2 1515 139 139 ASN HD21 H 7.419 0.006 2 1516 139 139 ASN HD22 H 7.107 0.003 2 1517 139 139 ASN C C 178.367 0.136 1 1518 139 139 ASN CA C 55.162 0.219 1 1519 139 139 ASN CB C 37.083 0.004 1 1520 139 139 ASN CG C 174.887 0.009 1 1521 139 139 ASN N N 115.508 0.166 1 1522 139 139 ASN ND2 N 109.775 0.056 1 1523 140 140 ASP H H 8.187 0.012 1 1524 140 140 ASP HA H 4.478 0.018 1 1525 140 140 ASP HB2 H 2.521 0.007 2 1526 140 140 ASP HB3 H 2.655 0.024 2 1527 140 140 ASP C C 179.883 0.136 1 1528 140 140 ASP CA C 56.985 0.007 1 1529 140 140 ASP CB C 40.478 0.035 1 1530 140 140 ASP N N 118.984 0.219 1 1531 141 141 LEU H H 8.258 0.012 1 1532 141 141 LEU HA H 3.942 0.008 1 1533 141 141 LEU HB2 H 1.596 0.020 2 1534 141 141 LEU HB3 H 0.771 0.014 2 1535 141 141 LEU HD1 H 0.619 0.012 2 1536 141 141 LEU HD2 H 0.619 0.012 2 1537 141 141 LEU HG H 0.128 0.005 1 1538 141 141 LEU C C 178.435 0.136 1 1539 141 141 LEU CA C 57.642 0.042 1 1540 141 141 LEU CB C 40.491 0.074 1 1541 141 141 LEU CD1 C 22.075 0.040 2 1542 141 141 LEU CD2 C 22.175 0.024 2 1543 141 141 LEU CG C 25.911 0.030 1 1544 141 141 LEU N N 122.328 0.120 1 1545 142 142 ALA H H 8.203 0.011 1 1546 142 142 ALA HA H 3.932 0.005 1 1547 142 142 ALA HB H 1.496 0.004 1 1548 142 142 ALA C C 178.378 0.136 1 1549 142 142 ALA CA C 54.709 0.038 1 1550 142 142 ALA CB C 19.306 0.051 1 1551 142 142 ALA N N 117.897 0.228 1 1552 143 143 LYS H H 7.065 0.010 1 1553 143 143 LYS HA H 4.298 0.003 1 1554 143 143 LYS HB2 H 2.034 0.007 2 1555 143 143 LYS HB3 H 1.872 0.007 2 1556 143 143 LYS HE2 H 3.019 0.007 2 1557 143 143 LYS HE3 H 3.019 0.007 2 1558 143 143 LYS HG2 H 1.695 0.002 2 1559 143 143 LYS HG3 H 1.695 0.002 2 1560 143 143 LYS C C 176.403 0.136 1 1561 143 143 LYS CA C 55.781 0.219 1 1562 143 143 LYS CB C 33.138 0.219 1 1563 143 143 LYS N N 113.930 0.175 1 1564 144 144 LYS H H 7.557 0.007 1 1565 144 144 LYS HA H 4.111 0.004 1 1566 144 144 LYS HB2 H 1.920 0.001 2 1567 144 144 LYS HB3 H 1.920 0.001 2 1568 144 144 LYS C C 176.797 0.136 1 1569 144 144 LYS CA C 58.391 0.001 1 1570 144 144 LYS CB C 32.751 0.001 1 1571 144 144 LYS N N 122.330 0.142 1 1572 147 147 MET HA H 3.732 0.005 1 1573 147 147 MET HB2 H 2.023 0.007 2 1574 147 147 MET HB3 H 2.112 0.006 2 1575 147 147 MET HE H 2.182 0.002 1 1576 147 147 MET HG2 H 2.337 0.006 2 1577 147 147 MET HG3 H 2.337 0.006 2 1578 147 147 MET CA C 57.573 0.024 1 1579 147 147 MET CB C 29.614 0.018 1 1580 147 147 MET CE C 17.233 0.042 1 1581 147 147 MET CG C 36.233 0.219 1 1582 148 148 LEU HA H 4.553 0.004 1 1583 148 148 LEU HB2 H 1.704 0.005 2 1584 148 148 LEU HB3 H 1.704 0.005 2 1585 148 148 LEU HD1 H 0.995 0.016 2 1586 148 148 LEU HD2 H 0.969 0.007 2 1587 148 148 LEU HG H 1.656 0.007 1 1588 148 148 LEU CA C 54.923 0.027 1 1589 148 148 LEU CB C 41.372 0.041 1 1590 148 148 LEU CD1 C 24.700 0.219 2 1591 148 148 LEU CD2 C 24.690 0.219 2 1592 150 150 PRO HA H 4.414 0.006 1 1593 150 150 PRO HB2 H 2.394 0.007 2 1594 150 150 PRO HB3 H 1.989 0.018 2 1595 150 150 PRO HD2 H 3.799 0.015 2 1596 150 150 PRO HD3 H 3.799 0.015 2 1597 150 150 PRO HG2 H 2.143 0.001 2 1598 150 150 PRO HG3 H 2.143 0.001 2 1599 150 150 PRO CA C 64.192 0.007 1 1600 150 150 PRO CB C 31.837 0.031 1 1601 150 150 PRO CD C 50.549 0.041 1 1602 150 150 PRO CG C 27.615 0.219 1 1603 151 151 GLN HA H 4.307 0.007 1 1604 151 151 GLN HB2 H 2.072 0.008 2 1605 151 151 GLN HB3 H 2.072 0.008 2 1606 151 151 GLN HE21 H 6.878 0.004 2 1607 151 151 GLN HE22 H 7.683 0.007 2 1608 151 151 GLN HG2 H 2.581 0.013 2 1609 151 151 GLN HG3 H 2.581 0.013 2 1610 151 151 GLN CA C 57.111 0.007 1 1611 151 151 GLN CB C 28.890 0.097 1 1612 151 151 GLN CD C 180.209 0.136 1 1613 151 151 GLN CG C 34.066 0.219 1 1614 151 151 GLN NE2 N 111.050 0.062 1 1615 152 152 ALA H H 9.714 0.007 1 1616 152 152 ALA HA H 4.287 0.002 1 1617 152 152 ALA HB H 1.334 0.002 1 1618 152 152 ALA CA C 52.191 0.219 1 1619 152 152 ALA CB C 19.360 0.022 1 1620 152 152 ALA N N 124.894 0.078 1 1621 153 153 ASP H H 7.785 0.007 1 1622 153 153 ASP HA H 4.292 0.002 1 1623 153 153 ASP HB2 H 2.861 0.006 2 1624 153 153 ASP HB3 H 2.581 0.009 2 1625 153 153 ASP CA C 55.932 0.032 1 1626 153 153 ASP CB C 37.491 0.169 1 1627 153 153 ASP N N 120.037 0.081 1 1628 154 154 THR HA H 3.768 0.007 1 1629 154 154 THR HB H 4.176 0.006 1 1630 154 154 THR HG2 H 1.308 0.006 1 1631 154 154 THR CA C 66.438 0.028 1 1632 154 154 THR CB C 68.639 0.044 1 1633 154 154 THR CG2 C 22.500 0.219 1 1634 155 155 LYS H H 8.397 0.012 1 1635 155 155 LYS HA H 3.740 0.012 1 1636 155 155 LYS HB2 H 2.113 0.009 2 1637 155 155 LYS HB3 H 1.747 0.003 2 1638 155 155 LYS HE2 H 3.000 0.006 2 1639 155 155 LYS HE3 H 3.000 0.006 2 1640 155 155 LYS HG2 H 1.563 0.121 2 1641 155 155 LYS HG3 H 1.563 0.121 2 1642 155 155 LYS C C 177.777 0.136 1 1643 155 155 LYS CA C 61.341 0.051 1 1644 155 155 LYS CB C 32.959 0.019 1 1645 155 155 LYS CG C 24.963 1.066 1 1646 155 155 LYS N N 120.012 0.209 1 1647 156 156 SER H H 7.612 0.006 1 1648 156 156 SER HA H 4.175 0.011 1 1649 156 156 SER HB2 H 4.029 0.007 2 1650 156 156 SER HB3 H 4.029 0.007 2 1651 156 156 SER C C 176.232 0.136 1 1652 156 156 SER CA C 60.943 0.057 1 1653 156 156 SER CB C 62.907 0.219 1 1654 156 156 SER N N 112.099 0.185 1 1655 157 157 LYS H H 7.507 0.009 1 1656 157 157 LYS HA H 3.984 0.010 1 1657 157 157 LYS HB2 H 1.717 0.013 2 1658 157 157 LYS HB3 H 1.658 0.004 2 1659 157 157 LYS HD2 H 1.577 0.004 2 1660 157 157 LYS HD3 H 1.577 0.004 2 1661 157 157 LYS HE2 H 2.963 0.004 2 1662 157 157 LYS HE3 H 2.963 0.004 2 1663 157 157 LYS HG2 H 1.479 0.021 2 1664 157 157 LYS HG3 H 1.479 0.021 2 1665 157 157 LYS C C 178.185 0.136 1 1666 157 157 LYS CA C 58.134 0.075 1 1667 157 157 LYS CB C 31.675 0.013 1 1668 157 157 LYS CD C 29.090 0.219 1 1669 157 157 LYS CE C 42.055 0.219 1 1670 157 157 LYS CG C 25.450 0.137 1 1671 157 157 LYS N N 117.860 0.168 1 1672 158 158 LEU H H 8.202 0.010 1 1673 158 158 LEU HA H 3.957 0.008 1 1674 158 158 LEU HB2 H 2.209 0.009 2 1675 158 158 LEU HB3 H 1.469 0.014 2 1676 158 158 LEU HD1 H 0.686 0.003 2 1677 158 158 LEU HD2 H 0.686 0.003 2 1678 158 158 LEU HG H 1.149 0.007 1 1679 158 158 LEU C C 179.727 0.136 1 1680 158 158 LEU CA C 58.185 0.032 1 1681 158 158 LEU CB C 42.842 0.058 1 1682 158 158 LEU CD1 C 23.084 0.219 2 1683 158 158 LEU CD2 C 23.072 0.219 2 1684 158 158 LEU CG C 27.101 0.219 1 1685 158 158 LEU N N 117.044 0.190 1 1686 159 159 VAL H H 8.648 0.008 1 1687 159 159 VAL HA H 4.017 0.009 1 1688 159 159 VAL HB H 2.230 0.007 1 1689 159 159 VAL HG1 H 1.239 0.010 2 1690 159 159 VAL HG2 H 1.298 0.002 2 1691 159 159 VAL C C 175.821 0.136 1 1692 159 159 VAL CA C 65.812 0.029 1 1693 159 159 VAL CB C 31.233 0.065 1 1694 159 159 VAL CG1 C 20.424 0.024 2 1695 159 159 VAL CG2 C 23.353 0.219 2 1696 159 159 VAL N N 118.382 0.123 1 1697 160 160 LYS H H 7.022 0.012 1 1698 160 160 LYS HA H 3.791 0.009 1 1699 160 160 LYS HB2 H 1.543 0.005 2 1700 160 160 LYS HB3 H 1.954 0.007 2 1701 160 160 LYS HE2 H 2.989 0.007 2 1702 160 160 LYS HE3 H 2.989 0.007 2 1703 160 160 LYS HG2 H 1.439 0.007 2 1704 160 160 LYS HG3 H 1.439 0.007 2 1705 160 160 LYS C C 178.257 0.136 1 1706 160 160 LYS CA C 60.330 0.024 1 1707 160 160 LYS CB C 33.003 0.019 1 1708 160 160 LYS CG C 24.877 0.219 1 1709 160 160 LYS N N 119.495 0.134 1 1710 161 161 LEU H H 7.183 0.010 1 1711 161 161 LEU HA H 4.073 0.008 1 1712 161 161 LEU HB2 H 2.158 0.003 2 1713 161 161 LEU HB3 H 1.270 0.007 2 1714 161 161 LEU HD1 H 0.818 0.015 2 1715 161 161 LEU HD2 H 0.693 0.010 2 1716 161 161 LEU HG H 1.992 0.003 1 1717 161 161 LEU C C 178.319 0.136 1 1718 161 161 LEU CA C 57.568 0.056 1 1719 161 161 LEU CB C 41.122 0.075 1 1720 161 161 LEU CD1 C 23.610 0.219 2 1721 161 161 LEU CD2 C 27.144 0.058 2 1722 161 161 LEU CG C 25.909 0.012 1 1723 161 161 LEU N N 116.159 0.150 1 1724 162 162 VAL H H 8.686 0.010 1 1725 162 162 VAL HA H 3.613 0.006 1 1726 162 162 VAL HB H 2.361 0.006 1 1727 162 162 VAL HG1 H 1.101 0.004 2 1728 162 162 VAL HG2 H 1.110 0.005 2 1729 162 162 VAL C C 178.321 0.136 1 1730 162 162 VAL CA C 68.231 0.067 1 1731 162 162 VAL CB C 32.249 0.035 1 1732 162 162 VAL CG1 C 23.607 0.007 2 1733 162 162 VAL CG2 C 21.041 0.219 2 1734 162 162 VAL N N 121.102 0.189 1 1735 163 163 VAL H H 8.251 0.012 1 1736 163 163 VAL HA H 3.806 0.019 1 1737 163 163 VAL HB H 2.266 0.019 1 1738 163 163 VAL HG1 H 0.833 0.012 2 1739 163 163 VAL HG2 H 1.044 0.011 2 1740 163 163 VAL C C 177.457 0.136 1 1741 163 163 VAL CA C 66.601 0.001 1 1742 163 163 VAL CB C 31.739 0.001 1 1743 163 163 VAL CG1 C 24.169 0.219 2 1744 163 163 VAL N N 116.460 0.205 1 1745 164 164 MET H H 8.077 0.008 1 1746 164 164 MET HA H 3.924 0.009 1 1747 164 164 MET HB2 H 3.166 0.010 2 1748 164 164 MET HB3 H 2.666 0.007 2 1749 164 164 MET HE H 2.112 0.007 1 1750 164 164 MET HG2 H 2.423 0.028 2 1751 164 164 MET HG3 H 2.423 0.028 2 1752 164 164 MET C C 177.340 0.136 1 1753 164 164 MET CA C 61.056 0.060 1 1754 164 164 MET CB C 36.179 0.068 1 1755 164 164 MET CE C 17.808 0.058 1 1756 164 164 MET CG C 36.105 0.219 1 1757 164 164 MET N N 112.033 0.097 1 1758 165 165 VAL H H 8.784 0.010 1 1759 165 165 VAL HA H 4.283 0.017 1 1760 165 165 VAL HB H 2.382 0.016 1 1761 165 165 VAL HG1 H 1.089 0.008 2 1762 165 165 VAL HG2 H 1.037 0.006 2 1763 165 165 VAL C C 174.593 0.136 1 1764 165 165 VAL CA C 65.765 0.036 1 1765 165 165 VAL CB C 31.599 0.018 1 1766 165 165 VAL CG1 C 21.057 0.219 2 1767 165 165 VAL CG2 C 21.179 0.219 2 1768 165 165 VAL N N 114.443 0.165 1 1769 166 166 CYS H H 7.388 0.010 1 1770 166 166 CYS HA H 3.968 0.007 1 1771 166 166 CYS HB2 H 3.425 0.011 2 1772 166 166 CYS HB3 H 3.385 0.006 2 1773 166 166 CYS C C 177.061 0.136 1 1774 166 166 CYS CA C 64.220 0.047 1 1775 166 166 CYS CB C 26.891 0.040 1 1776 166 166 CYS N N 117.277 0.109 1 1777 167 167 GLU H H 8.276 0.009 1 1778 167 167 GLU HA H 5.332 0.007 1 1779 167 167 GLU HB2 H 2.687 0.006 2 1780 167 167 GLU HB3 H 2.169 0.011 2 1781 167 167 GLU HG2 H 2.513 0.009 2 1782 167 167 GLU HG3 H 2.361 0.006 2 1783 167 167 GLU C C 180.707 0.136 1 1784 167 167 GLU CA C 57.245 0.053 1 1785 167 167 GLU CB C 26.234 0.080 1 1786 167 167 GLU CG C 33.590 0.023 1 1787 167 167 GLU N N 114.246 0.136 1 1788 168 168 GLY H H 7.157 0.007 1 1789 168 168 GLY HA2 H 3.781 0.005 2 1790 168 168 GLY HA3 H 3.917 0.013 2 1791 168 168 GLY C C 174.037 0.136 1 1792 168 168 GLY CA C 46.995 0.069 1 1793 168 168 GLY N N 105.444 0.138 1 1794 169 169 LEU H H 7.731 0.010 1 1795 169 169 LEU HA H 3.875 0.017 1 1796 169 169 LEU HB2 H 2.221 0.011 2 1797 169 169 LEU HB3 H 1.023 0.007 2 1798 169 169 LEU HD1 H 0.624 0.004 2 1799 169 169 LEU HD2 H 0.624 0.004 2 1800 169 169 LEU HG H 0.694 0.008 1 1801 169 169 LEU C C 179.189 0.136 1 1802 169 169 LEU CA C 57.944 0.064 1 1803 169 169 LEU CB C 42.914 0.079 1 1804 169 169 LEU CD1 C 24.601 0.056 2 1805 169 169 LEU CG C 25.910 0.161 1 1806 169 169 LEU N N 118.353 0.186 1 1807 170 170 ARG H H 7.336 0.010 1 1808 170 170 ARG HA H 3.773 0.013 1 1809 170 170 ARG HB2 H 1.789 0.018 2 1810 170 170 ARG HB3 H 1.054 0.008 2 1811 170 170 ARG HD2 H 2.749 0.012 2 1812 170 170 ARG HD3 H 0.898 0.006 2 1813 170 170 ARG HG2 H 0.445 0.009 2 1814 170 170 ARG HG3 H 1.528 0.008 2 1815 170 170 ARG C C 177.205 0.136 1 1816 170 170 ARG CA C 59.445 0.044 1 1817 170 170 ARG CB C 34.997 0.085 1 1818 170 170 ARG CD C 44.358 0.086 1 1819 170 170 ARG CG C 27.236 0.054 1 1820 170 170 ARG N N 113.992 0.186 1 1821 171 171 PHE H H 8.811 0.005 1 1822 171 171 PHE HA H 5.021 0.008 1 1823 171 171 PHE HB2 H 3.369 0.013 2 1824 171 171 PHE HB3 H 3.239 0.009 2 1825 171 171 PHE HD1 H 7.157 0.013 3 1826 171 171 PHE HD2 H 7.157 0.013 3 1827 171 171 PHE HE1 H 7.157 0.013 3 1828 171 171 PHE HE2 H 7.157 0.013 3 1829 171 171 PHE C C 175.903 0.136 1 1830 171 171 PHE CA C 58.572 0.028 1 1831 171 171 PHE CB C 42.155 0.080 1 1832 171 171 PHE CD1 C 128.372 0.228 3 1833 171 171 PHE CD2 C 128.372 0.228 3 1834 171 171 PHE N N 113.667 0.149 1 1835 172 172 ASN H H 8.271 0.010 1 1836 172 172 ASN HA H 5.088 0.008 1 1837 172 172 ASN HB2 H 2.780 0.014 2 1838 172 172 ASN HB3 H 2.780 0.014 2 1839 172 172 ASN HD21 H 7.092 0.010 2 1840 172 172 ASN HD22 H 6.684 0.003 2 1841 172 172 ASN C C 177.790 0.136 1 1842 172 172 ASN CA C 55.196 0.041 1 1843 172 172 ASN CB C 38.604 0.056 1 1844 172 172 ASN CG C 175.273 0.136 1 1845 172 172 ASN N N 122.558 0.198 1 1846 172 172 ASN ND2 N 112.148 0.041 1 1847 173 173 THR H H 7.972 0.010 1 1848 173 173 THR HA H 4.306 0.017 1 1849 173 173 THR HB H 4.215 0.008 1 1850 173 173 THR HG2 H 1.537 0.007 1 1851 173 173 THR C C 176.731 0.136 1 1852 173 173 THR CA C 64.007 0.064 1 1853 173 173 THR CB C 68.115 0.046 1 1854 173 173 THR CG2 C 24.661 0.070 1 1855 173 173 THR N N 108.540 0.172 1 1856 174 174 VAL H H 6.609 0.009 1 1857 174 174 VAL HA H 3.478 0.013 1 1858 174 174 VAL HB H 2.199 0.006 1 1859 174 174 VAL HG1 H 0.703 0.008 2 1860 174 174 VAL HG2 H 0.846 0.014 2 1861 174 174 VAL C C 176.687 0.136 1 1862 174 174 VAL CA C 66.252 0.069 1 1863 174 174 VAL CB C 31.885 0.219 1 1864 174 174 VAL CG1 C 23.412 0.081 2 1865 174 174 VAL CG2 C 20.995 0.063 2 1866 174 174 VAL N N 119.008 0.140 1 1867 175 175 SER H H 8.460 0.009 1 1868 175 175 SER HA H 4.550 0.018 1 1869 175 175 SER HB2 H 4.037 0.026 2 1870 175 175 SER HB3 H 4.037 0.026 2 1871 175 175 SER C C 177.723 0.136 1 1872 175 175 SER CA C 62.181 0.027 1 1873 175 175 SER CB C 61.592 0.219 1 1874 175 175 SER N N 114.692 0.167 1 1875 176 176 ARG H H 8.362 0.011 1 1876 176 176 ARG HA H 4.272 0.016 1 1877 176 176 ARG HB2 H 1.945 0.009 2 1878 176 176 ARG HB3 H 2.069 0.011 2 1879 176 176 ARG HD2 H 3.231 0.013 2 1880 176 176 ARG HD3 H 3.231 0.013 2 1881 176 176 ARG HG2 H 1.744 0.020 2 1882 176 176 ARG HG3 H 1.744 0.020 2 1883 176 176 ARG C C 179.280 0.136 1 1884 176 176 ARG CA C 59.921 0.062 1 1885 176 176 ARG CB C 30.400 0.053 1 1886 176 176 ARG CD C 43.474 0.219 1 1887 176 176 ARG CG C 27.674 0.219 1 1888 176 176 ARG N N 121.291 0.174 1 1889 177 177 THR H H 7.554 0.010 1 1890 177 177 THR HA H 3.991 0.017 1 1891 177 177 THR HB H 4.154 0.001 1 1892 177 177 THR HG2 H 1.220 0.013 1 1893 177 177 THR CA C 67.295 0.079 1 1894 177 177 THR CB C 69.368 0.033 1 1895 177 177 THR CG2 C 21.531 0.219 1 1896 177 177 THR N N 117.870 0.201 1 1897 178 178 VAL H H 8.806 0.010 1 1898 178 178 VAL HA H 3.402 0.006 1 1899 178 178 VAL HB H 1.961 0.005 1 1900 178 178 VAL HG1 H 0.135 0.008 2 1901 178 178 VAL HG2 H 0.901 0.007 2 1902 178 178 VAL C C 177.434 0.136 1 1903 178 178 VAL CA C 66.647 0.088 1 1904 178 178 VAL CB C 31.160 0.157 1 1905 178 178 VAL CG1 C 21.788 0.026 2 1906 178 178 VAL CG2 C 25.030 0.017 2 1907 178 178 VAL N N 120.979 0.192 1 1908 179 179 ASP H H 8.038 0.007 1 1909 179 179 ASP HA H 4.374 0.010 1 1910 179 179 ASP HB2 H 3.141 0.025 2 1911 179 179 ASP HB3 H 2.821 0.012 2 1912 179 179 ASP C C 178.741 0.136 1 1913 179 179 ASP CA C 58.826 0.023 1 1914 179 179 ASP CB C 43.791 0.061 1 1915 179 179 ASP N N 116.641 0.093 1 1916 180 180 ALA H H 7.775 0.011 1 1917 180 180 ALA HA H 4.289 0.020 1 1918 180 180 ALA HB H 1.617 0.013 1 1919 180 180 ALA C C 179.619 0.136 1 1920 180 180 ALA CA C 55.051 0.034 1 1921 180 180 ALA CB C 18.005 0.038 1 1922 180 180 ALA N N 118.351 0.175 1 1923 181 181 GLY H H 7.419 0.011 1 1924 181 181 GLY HA2 H 3.517 0.016 2 1925 181 181 GLY HA3 H 4.750 0.004 2 1926 181 181 GLY C C 176.029 0.136 1 1927 181 181 GLY CA C 45.029 0.094 1 1928 181 181 GLY N N 101.632 0.185 1 1929 182 182 PHE H H 7.878 0.013 1 1930 182 182 PHE HA H 4.076 0.004 1 1931 182 182 PHE HB2 H 3.175 0.003 2 1932 182 182 PHE HB3 H 3.970 0.010 2 1933 182 182 PHE HD1 H 7.307 0.005 3 1934 182 182 PHE HD2 H 7.307 0.005 3 1935 182 182 PHE HE1 H 7.307 0.005 3 1936 182 182 PHE HE2 H 7.307 0.005 3 1937 182 182 PHE C C 177.226 0.136 1 1938 182 182 PHE CA C 63.555 0.067 1 1939 182 182 PHE CB C 40.103 0.052 1 1940 182 182 PHE N N 124.181 0.257 1 1941 183 183 ASN H H 7.738 0.007 1 1942 183 183 ASN HA H 4.953 0.005 1 1943 183 183 ASN HB2 H 3.176 0.007 2 1944 183 183 ASN HB3 H 2.792 0.011 2 1945 183 183 ASN HD21 H 7.633 0.004 2 1946 183 183 ASN HD22 H 7.485 0.007 2 1947 183 183 ASN CA C 52.497 0.041 1 1948 183 183 ASN CB C 38.489 0.022 1 1949 183 183 ASN CG C 176.899 0.136 1 1950 183 183 ASN N N 112.088 0.156 1 1951 183 183 ASN ND2 N 113.827 0.027 1 1952 184 184 SER H H 7.566 0.011 1 1953 184 184 SER HA H 4.371 0.003 1 1954 184 184 SER HB2 H 3.981 0.004 2 1955 184 184 SER HB3 H 4.042 0.004 2 1956 184 184 SER C C 176.275 0.136 1 1957 184 184 SER CA C 58.538 0.086 1 1958 184 184 SER CB C 63.833 0.051 1 1959 184 184 SER N N 115.841 0.164 1 1960 185 185 GLN H H 7.604 0.004 1 1961 185 185 GLN HA H 4.050 0.007 1 1962 185 185 GLN HB2 H 1.942 0.004 2 1963 185 185 GLN HB3 H 1.831 0.009 2 1964 185 185 GLN HE21 H 6.796 0.003 2 1965 185 185 GLN HE22 H 7.415 0.001 2 1966 185 185 GLN HG2 H 2.147 0.012 2 1967 185 185 GLN HG3 H 2.074 0.002 2 1968 185 185 GLN C C 178.227 0.136 1 1969 185 185 GLN CA C 58.379 0.098 1 1970 185 185 GLN CB C 28.266 0.081 1 1971 185 185 GLN CD C 179.955 0.136 1 1972 185 185 GLN CG C 33.277 0.065 1 1973 185 185 GLN N N 118.752 1.460 1 1974 185 185 GLN NE2 N 111.279 0.060 1 1975 186 186 HIS HA H 4.704 0.011 1 1976 186 186 HIS HB2 H 3.281 0.003 2 1977 186 186 HIS HB3 H 3.040 0.002 2 1978 186 186 HIS HD2 H 7.201 0.002 1 1979 186 186 HIS HE1 H 7.749 0.007 1 1980 186 186 HIS CA C 55.619 0.007 1 1981 186 186 HIS CB C 30.797 0.060 1 1982 186 186 HIS CE1 C 138.640 0.228 1 1983 187 187 GLY H H 7.422 0.011 1 1984 187 187 GLY HA2 H 4.125 0.005 2 1985 187 187 GLY HA3 H 4.125 0.005 2 1986 187 187 GLY C C 172.092 0.136 1 1987 187 187 GLY CA C 44.936 0.085 1 1988 187 187 GLY N N 107.572 0.149 1 1989 188 188 VAL H H 8.387 0.013 1 1990 188 188 VAL HA H 4.730 0.010 1 1991 188 188 VAL HB H 2.061 0.009 1 1992 188 188 VAL HG1 H 0.946 0.007 2 1993 188 188 VAL HG2 H 0.827 0.007 2 1994 188 188 VAL C C 173.137 0.136 1 1995 188 188 VAL CA C 59.741 0.048 1 1996 188 188 VAL CB C 35.205 0.056 1 1997 188 188 VAL CG1 C 20.843 0.219 2 1998 188 188 VAL CG2 C 20.448 0.025 2 1999 188 188 VAL N N 116.165 0.184 1 2000 189 189 THR H H 7.795 0.010 1 2001 189 189 THR HA H 4.717 0.005 1 2002 189 189 THR HB H 4.497 0.009 1 2003 189 189 THR HG2 H 0.976 0.006 1 2004 189 189 THR C C 174.374 0.136 1 2005 189 189 THR CA C 58.921 0.002 1 2006 189 189 THR CB C 72.541 0.207 1 2007 189 189 THR CG2 C 21.673 0.027 1 2008 189 189 THR N N 113.695 0.142 1 2009 190 190 LEU H H 9.453 0.008 1 2010 190 190 LEU HA H 4.493 0.004 1 2011 190 190 LEU HB2 H 1.553 0.015 2 2012 190 190 LEU HB3 H 1.185 0.010 2 2013 190 190 LEU HD1 H 0.653 0.008 2 2014 190 190 LEU HD2 H 0.653 0.008 2 2015 190 190 LEU HG H 0.566 0.008 1 2016 190 190 LEU C C 177.735 0.136 1 2017 190 190 LEU CA C 53.780 0.024 1 2018 190 190 LEU CB C 42.500 0.090 1 2019 190 190 LEU CD1 C 21.597 0.219 2 2020 190 190 LEU CD2 C 21.597 0.219 2 2021 190 190 LEU CG C 26.138 0.028 1 2022 190 190 LEU N N 119.192 0.180 1 2023 191 191 THR H H 8.566 0.004 1 2024 191 191 THR HA H 4.498 0.018 1 2025 191 191 THR HB H 4.729 0.004 1 2026 191 191 THR HG2 H 1.260 0.024 1 2027 191 191 THR C C 175.956 0.136 1 2028 191 191 THR CA C 60.429 0.043 1 2029 191 191 THR CB C 71.259 0.029 1 2030 191 191 THR CG2 C 21.678 0.219 1 2031 191 191 THR N N 109.245 0.108 1 2032 192 192 VAL H H 8.654 0.012 1 2033 192 192 VAL HA H 3.547 0.012 1 2034 192 192 VAL HB H 2.021 0.010 1 2035 192 192 VAL HG1 H 0.920 0.004 2 2036 192 192 VAL HG2 H 1.001 0.002 2 2037 192 192 VAL C C 179.452 0.136 1 2038 192 192 VAL CA C 66.403 0.066 1 2039 192 192 VAL CB C 31.677 0.068 1 2040 192 192 VAL CG1 C 20.673 0.061 2 2041 192 192 VAL CG2 C 22.194 0.003 2 2042 192 192 VAL N N 119.857 0.215 1 2043 193 193 THR H H 8.099 0.005 1 2044 193 193 THR HA H 3.796 0.001 1 2045 193 193 THR HB H 3.961 0.008 1 2046 193 193 THR HG2 H 1.173 0.005 1 2047 193 193 THR C C 174.671 0.136 1 2048 193 193 THR CA C 66.674 0.044 1 2049 193 193 THR CB C 68.608 0.039 1 2050 193 193 THR CG2 C 21.840 0.219 1 2051 193 193 THR N N 115.648 0.143 1 2052 194 194 GLN H H 7.790 0.013 1 2053 194 194 GLN HA H 3.863 0.009 1 2054 194 194 GLN HB2 H 1.497 0.014 2 2055 194 194 GLN HB3 H 2.403 0.010 2 2056 194 194 GLN HE21 H 6.709 0.004 2 2057 194 194 GLN HE22 H 7.296 0.004 2 2058 194 194 GLN HG2 H 2.470 0.006 2 2059 194 194 GLN HG3 H 2.246 0.012 2 2060 194 194 GLN C C 179.606 0.136 1 2061 194 194 GLN CA C 58.654 0.023 1 2062 194 194 GLN CB C 30.323 0.088 1 2063 194 194 GLN CD C 178.526 0.136 1 2064 194 194 GLN CG C 34.750 0.219 1 2065 194 194 GLN N N 119.924 0.156 1 2066 194 194 GLN NE2 N 109.839 0.073 1 2067 195 195 GLY H H 8.670 0.007 1 2068 195 195 GLY HA2 H 3.394 0.006 2 2069 195 195 GLY HA3 H 3.798 0.012 2 2070 195 195 GLY C C 174.460 0.136 1 2071 195 195 GLY CA C 47.927 0.107 1 2072 195 195 GLY N N 105.577 0.118 1 2073 196 196 LYS H H 7.640 0.009 1 2074 196 196 LYS HA H 4.024 0.014 1 2075 196 196 LYS HB2 H 1.937 0.012 2 2076 196 196 LYS HB3 H 1.763 0.022 2 2077 196 196 LYS HD2 H 1.692 0.007 2 2078 196 196 LYS HD3 H 1.692 0.007 2 2079 196 196 LYS HE2 H 2.980 0.007 2 2080 196 196 LYS HE3 H 2.980 0.007 2 2081 196 196 LYS HG2 H 1.591 0.010 2 2082 196 196 LYS HG3 H 1.591 0.010 2 2083 196 196 LYS C C 179.395 0.136 1 2084 196 196 LYS CA C 59.371 0.001 1 2085 196 196 LYS CB C 32.529 0.018 1 2086 196 196 LYS CD C 29.480 0.219 1 2087 196 196 LYS CE C 41.660 0.219 1 2088 196 196 LYS CG C 25.220 0.219 1 2089 196 196 LYS N N 119.606 0.126 1 2090 197 197 GLN H H 7.439 0.011 1 2091 197 197 GLN HA H 3.883 0.013 1 2092 197 197 GLN HB2 H 1.650 0.011 2 2093 197 197 GLN HB3 H 2.396 0.003 2 2094 197 197 GLN HE21 H 6.628 0.006 2 2095 197 197 GLN HE22 H 7.498 0.011 2 2096 197 197 GLN HG2 H 2.980 0.006 2 2097 197 197 GLN HG3 H 2.355 0.023 2 2098 197 197 GLN C C 177.684 0.136 1 2099 197 197 GLN CA C 59.131 0.001 1 2100 197 197 GLN CB C 27.760 0.024 1 2101 197 197 GLN CD C 177.761 0.136 1 2102 197 197 GLN CG C 34.000 0.048 1 2103 197 197 GLN N N 115.365 0.163 1 2104 197 197 GLN NE2 N 107.567 0.056 1 2105 198 198 VAL H H 7.750 0.010 1 2106 198 198 VAL HA H 3.371 0.006 1 2107 198 198 VAL HB H 1.820 0.010 1 2108 198 198 VAL HG1 H 0.079 0.006 2 2109 198 198 VAL HG2 H 0.653 0.008 2 2110 198 198 VAL C C 179.704 0.136 1 2111 198 198 VAL CA C 64.259 0.019 1 2112 198 198 VAL CB C 30.744 0.024 1 2113 198 198 VAL CG1 C 22.704 0.017 2 2114 198 198 VAL CG2 C 21.438 0.056 2 2115 198 198 VAL N N 117.762 0.165 1 2116 199 199 GLN H H 7.562 0.010 1 2117 199 199 GLN HA H 4.310 0.013 1 2118 199 199 GLN HB2 H 2.413 0.010 2 2119 199 199 GLN HB3 H 2.123 0.005 2 2120 199 199 GLN HE21 H 7.087 0.009 2 2121 199 199 GLN HE22 H 6.565 0.003 2 2122 199 199 GLN HG2 H 2.557 0.015 2 2123 199 199 GLN HG3 H 2.129 0.011 2 2124 199 199 GLN C C 176.300 0.136 1 2125 199 199 GLN CA C 58.918 0.083 1 2126 199 199 GLN CB C 29.296 0.065 1 2127 199 199 GLN CD C 179.818 0.136 1 2128 199 199 GLN CG C 36.292 0.060 1 2129 199 199 GLN N N 115.352 0.154 1 2130 199 199 GLN NE2 N 110.637 0.028 1 2131 200 200 LYS H H 7.702 0.114 1 2132 200 200 LYS HA H 5.092 0.006 1 2133 200 200 LYS HB2 H 2.206 0.006 2 2134 200 200 LYS HB3 H 2.008 0.001 2 2135 200 200 LYS HD2 H 1.569 0.007 2 2136 200 200 LYS HD3 H 1.569 0.007 2 2137 200 200 LYS HE2 H 3.018 0.007 2 2138 200 200 LYS HE3 H 3.018 0.007 2 2139 200 200 LYS HG2 H 1.662 0.007 2 2140 200 200 LYS HG3 H 1.662 0.007 2 2141 200 200 LYS C C 176.165 0.136 1 2142 200 200 LYS CA C 54.107 0.073 1 2143 200 200 LYS CB C 32.085 0.066 1 2144 200 200 LYS CD C 24.811 0.219 1 2145 200 200 LYS CG C 24.817 0.219 1 2146 200 200 LYS N N 118.714 0.187 1 2147 201 201 TRP H H 7.833 0.011 1 2148 201 201 TRP HA H 4.376 0.010 1 2149 201 201 TRP HB2 H 4.044 0.011 2 2150 201 201 TRP HB3 H 3.748 0.008 2 2151 201 201 TRP HD1 H 6.535 0.006 1 2152 201 201 TRP HE1 H 10.030 0.006 1 2153 201 201 TRP HE3 H 7.692 0.007 1 2154 201 201 TRP C C 178.407 0.136 1 2155 201 201 TRP CA C 63.812 0.071 1 2156 201 201 TRP CB C 28.537 0.069 1 2157 201 201 TRP CD1 C 125.463 0.228 1 2158 201 201 TRP N N 121.530 0.115 1 2159 201 201 TRP NE1 N 128.199 0.030 1 2160 202 202 ASP HA H 3.652 0.002 1 2161 202 202 ASP HB2 H 2.726 0.005 2 2162 202 202 ASP HB3 H 2.726 0.005 2 2163 202 202 ASP CA C 57.686 0.004 1 2164 202 202 ASP CB C 39.606 0.005 1 2165 203 203 ARG H H 7.894 0.004 1 2166 203 203 ARG HA H 4.266 0.004 1 2167 203 203 ARG HB2 H 1.982 0.008 2 2168 203 203 ARG HB3 H 1.982 0.008 2 2169 203 203 ARG HD2 H 3.208 0.001 2 2170 203 203 ARG HD3 H 3.208 0.001 2 2171 203 203 ARG HG2 H 1.802 0.001 2 2172 203 203 ARG HG3 H 1.802 0.001 2 2173 203 203 ARG C C 179.658 0.136 1 2174 203 203 ARG CA C 57.208 0.219 1 2175 203 203 ARG CB C 28.926 0.219 1 2176 203 203 ARG CD C 43.418 0.219 1 2177 203 203 ARG CG C 27.220 0.219 1 2178 203 203 ARG N N 122.359 0.121 1 2179 204 204 ILE H H 9.090 0.005 1 2180 204 204 ILE HA H 3.912 0.010 1 2181 204 204 ILE HB H 1.811 0.010 1 2182 204 204 ILE HD1 H 0.916 0.005 1 2183 204 204 ILE HG12 H 1.595 0.007 2 2184 204 204 ILE HG13 H 1.595 0.007 2 2185 204 204 ILE HG2 H 1.070 0.002 1 2186 204 204 ILE C C 177.543 0.136 1 2187 204 204 ILE CA C 64.932 0.065 1 2188 204 204 ILE CB C 38.824 0.062 1 2189 204 204 ILE CD1 C 17.588 0.219 1 2190 204 204 ILE CG1 C 27.733 0.219 1 2191 204 204 ILE CG2 C 17.666 0.219 1 2192 204 204 ILE N N 123.098 0.071 1 2193 205 205 SER H H 8.278 0.009 1 2194 205 205 SER HA H 3.980 0.007 1 2195 205 205 SER HB2 H 3.864 0.007 2 2196 205 205 SER HB3 H 3.864 0.007 2 2197 205 205 SER C C 174.543 0.136 1 2198 205 205 SER CA C 63.582 0.003 1 2199 205 205 SER CB C 62.436 0.036 1 2200 205 205 SER N N 116.484 0.079 1 2201 206 206 LYS H H 7.668 0.010 1 2202 206 206 LYS HA H 3.953 0.008 1 2203 206 206 LYS HB2 H 1.830 0.007 2 2204 206 206 LYS HB3 H 1.830 0.007 2 2205 206 206 LYS HD2 H 1.716 0.009 2 2206 206 206 LYS HD3 H 1.716 0.009 2 2207 206 206 LYS HE2 H 2.877 0.006 2 2208 206 206 LYS HE3 H 2.877 0.006 2 2209 206 206 LYS HG2 H 1.339 0.006 2 2210 206 206 LYS HG3 H 1.445 0.008 2 2211 206 206 LYS C C 179.047 0.136 1 2212 206 206 LYS CA C 59.992 0.075 1 2213 206 206 LYS CB C 32.461 0.071 1 2214 206 206 LYS CD C 29.290 0.219 1 2215 206 206 LYS CE C 42.204 0.219 1 2216 206 206 LYS CG C 24.806 0.067 1 2217 206 206 LYS N N 120.807 0.177 1 2218 207 207 ALA H H 8.004 0.012 1 2219 207 207 ALA HA H 4.068 0.002 1 2220 207 207 ALA HB H 1.081 0.005 1 2221 207 207 ALA C C 178.133 0.136 1 2222 207 207 ALA CA C 54.493 0.123 1 2223 207 207 ALA CB C 17.749 0.064 1 2224 207 207 ALA N N 122.969 0.145 1 2225 208 208 ALA H H 8.230 0.007 1 2226 208 208 ALA HA H 4.282 0.007 1 2227 208 208 ALA HB H 1.567 0.008 1 2228 208 208 ALA C C 180.604 0.136 1 2229 208 208 ALA CA C 55.679 0.069 1 2230 208 208 ALA CB C 16.800 0.035 1 2231 208 208 ALA N N 119.466 0.126 1 2232 209 209 PHE H H 7.552 0.011 1 2233 209 209 PHE HA H 3.947 0.009 1 2234 209 209 PHE HB2 H 2.988 0.009 2 2235 209 209 PHE HB3 H 3.180 0.009 2 2236 209 209 PHE HD1 H 7.370 0.012 3 2237 209 209 PHE HD2 H 7.370 0.012 3 2238 209 209 PHE HE1 H 7.120 0.006 3 2239 209 209 PHE HE2 H 7.120 0.006 3 2240 209 209 PHE C C 178.770 0.136 1 2241 209 209 PHE CA C 62.213 0.042 1 2242 209 209 PHE CB C 38.926 0.064 1 2243 209 209 PHE CD1 C 131.384 0.228 3 2244 209 209 PHE CD2 C 131.384 0.228 3 2245 209 209 PHE N N 117.100 0.147 1 2246 210 210 GLU H H 8.158 0.007 1 2247 210 210 GLU HA H 4.177 0.007 1 2248 210 210 GLU HB2 H 2.062 0.005 2 2249 210 210 GLU HB3 H 1.848 0.007 2 2250 210 210 GLU HG2 H 2.069 0.001 2 2251 210 210 GLU HG3 H 2.308 0.008 2 2252 210 210 GLU C C 179.862 0.136 1 2253 210 210 GLU CA C 60.250 0.079 1 2254 210 210 GLU CB C 29.576 0.062 1 2255 210 210 GLU CG C 36.919 0.010 1 2256 210 210 GLU N N 124.211 0.036 1 2257 211 211 TRP H H 8.915 0.009 1 2258 211 211 TRP HA H 4.838 0.010 1 2259 211 211 TRP HB2 H 3.087 0.007 2 2260 211 211 TRP HB3 H 3.390 0.007 2 2261 211 211 TRP HD1 H 7.985 0.004 1 2262 211 211 TRP HE1 H 10.572 0.008 1 2263 211 211 TRP HZ2 H 7.509 0.011 1 2264 211 211 TRP HZ3 H 7.149 0.008 1 2265 211 211 TRP C C 177.790 0.136 1 2266 211 211 TRP CA C 58.470 0.031 1 2267 211 211 TRP CB C 29.252 0.083 1 2268 211 211 TRP CD1 C 125.981 0.228 1 2269 211 211 TRP N N 118.014 0.166 1 2270 211 211 TRP NE1 N 130.495 0.029 1 2271 212 212 ALA H H 7.453 0.009 1 2272 212 212 ALA HA H 4.147 0.013 1 2273 212 212 ALA HB H 1.508 0.011 1 2274 212 212 ALA C C 178.349 0.136 1 2275 212 212 ALA CA C 54.811 0.050 1 2276 212 212 ALA CB C 17.882 0.042 1 2277 212 212 ALA N N 123.064 0.158 1 2278 213 213 ASP H H 7.163 0.011 1 2279 213 213 ASP HA H 4.676 0.013 1 2280 213 213 ASP HB2 H 2.514 0.009 2 2281 213 213 ASP HB3 H 2.399 0.008 2 2282 213 213 ASP C C 176.182 0.136 1 2283 213 213 ASP CA C 55.002 0.026 1 2284 213 213 ASP CB C 41.951 0.064 1 2285 213 213 ASP N N 114.425 0.210 1 2286 214 214 HIS H H 7.913 0.011 1 2287 214 214 HIS HA H 5.237 0.011 1 2288 214 214 HIS HB2 H 3.218 0.007 2 2289 214 214 HIS HB3 H 3.218 0.007 2 2290 214 214 HIS HD2 H 7.264 0.017 1 2291 214 214 HIS HE1 H 8.218 0.004 1 2292 214 214 HIS C C 173.409 0.136 1 2293 214 214 HIS CA C 53.060 0.047 1 2294 214 214 HIS CB C 30.163 0.047 1 2295 214 214 HIS N N 116.705 0.198 1 2296 215 215 PRO HA H 4.885 0.007 1 2297 215 215 PRO HB2 H 2.414 0.012 2 2298 215 215 PRO HB3 H 2.056 0.032 2 2299 215 215 PRO HD2 H 3.881 0.006 2 2300 215 215 PRO HD3 H 3.385 0.006 2 2301 215 215 PRO HG2 H 2.076 0.019 2 2302 215 215 PRO HG3 H 2.076 0.019 2 2303 215 215 PRO CA C 65.442 0.022 1 2304 215 215 PRO CB C 32.540 0.049 1 2305 215 215 PRO CD C 50.514 0.051 1 2306 215 215 PRO CG C 27.215 0.071 1 2307 216 216 THR H H 7.856 0.009 1 2308 216 216 THR HA H 4.540 0.003 1 2309 216 216 THR HB H 4.648 0.009 1 2310 216 216 THR HG2 H 1.193 0.004 1 2311 216 216 THR C C 174.847 0.136 1 2312 216 216 THR CA C 60.338 0.015 1 2313 216 216 THR CB C 68.742 0.021 1 2314 216 216 THR CG2 C 21.787 0.007 1 2315 216 216 THR N N 105.575 0.155 1 2316 217 217 ALA H H 7.831 0.012 1 2317 217 217 ALA HA H 4.143 0.006 1 2318 217 217 ALA HB H 1.435 0.004 1 2319 217 217 ALA C C 178.147 0.136 1 2320 217 217 ALA CA C 53.460 0.060 1 2321 217 217 ALA CB C 18.612 0.050 1 2322 217 217 ALA N N 125.247 0.209 1 2323 218 218 VAL H H 8.693 0.010 1 2324 218 218 VAL HA H 4.251 0.016 1 2325 218 218 VAL HB H 2.038 0.007 1 2326 218 218 VAL HG1 H 0.908 0.002 2 2327 218 218 VAL HG2 H 1.101 0.005 2 2328 218 218 VAL C C 176.092 0.136 1 2329 218 218 VAL CA C 62.666 0.059 1 2330 218 218 VAL CB C 31.841 0.075 1 2331 218 218 VAL CG1 C 20.980 0.040 2 2332 218 218 VAL CG2 C 21.058 0.038 2 2333 218 218 VAL N N 125.276 0.182 1 2334 219 219 ILE H H 8.699 0.010 1 2335 219 219 ILE HA H 4.508 0.013 1 2336 219 219 ILE HB H 1.431 0.007 1 2337 219 219 ILE HD1 H -0.516 0.005 1 2338 219 219 ILE HG12 H 1.095 0.007 2 2339 219 219 ILE HG13 H 0.621 0.007 2 2340 219 219 ILE HG2 H 0.701 0.007 1 2341 219 219 ILE C C 175.266 0.136 1 2342 219 219 ILE CA C 58.697 0.029 1 2343 219 219 ILE CB C 38.900 0.046 1 2344 219 219 ILE CD1 C 11.729 0.022 1 2345 219 219 ILE CG1 C 26.286 0.003 1 2346 219 219 ILE CG2 C 17.858 0.052 1 2347 219 219 ILE N N 128.629 0.171 1 2348 220 220 PRO HA H 4.362 0.005 1 2349 220 220 PRO HB2 H 2.018 0.008 2 2350 220 220 PRO HB3 H 2.424 0.005 2 2351 220 220 PRO HD2 H 3.981 0.010 2 2352 220 220 PRO HD3 H 3.981 0.010 2 2353 220 220 PRO HG2 H 2.199 0.003 2 2354 220 220 PRO HG3 H 1.959 0.011 2 2355 220 220 PRO CA C 66.117 0.024 1 2356 220 220 PRO CB C 31.204 0.056 1 2357 220 220 PRO CD C 51.363 0.046 1 2358 220 220 PRO CG C 28.638 0.219 1 2359 221 221 ASP HA H 4.334 0.008 1 2360 221 221 ASP HB2 H 2.302 0.005 2 2361 221 221 ASP HB3 H 2.451 0.011 2 2362 221 221 ASP CA C 57.096 0.019 1 2363 221 221 ASP CB C 40.047 0.018 1 2364 222 222 MET H H 7.544 0.009 1 2365 222 222 MET HA H 4.720 0.011 1 2366 222 222 MET HB2 H 2.522 0.007 2 2367 222 222 MET HB3 H 2.522 0.007 2 2368 222 222 MET HE H 1.766 0.001 1 2369 222 222 MET C C 178.925 0.032 1 2370 222 222 MET CA C 55.552 0.219 1 2371 222 222 MET CB C 33.230 0.219 1 2372 222 222 MET CE C 21.226 0.034 1 2373 222 222 MET N N 114.988 0.136 1 2374 223 223 GLN H H 8.002 0.009 1 2375 223 223 GLN HA H 3.871 0.009 1 2376 223 223 GLN HB2 H 2.323 0.013 2 2377 223 223 GLN HB3 H 2.169 0.008 2 2378 223 223 GLN HE21 H 7.543 0.002 2 2379 223 223 GLN HE22 H 6.809 0.002 2 2380 223 223 GLN HG2 H 2.477 0.004 2 2381 223 223 GLN HG3 H 2.376 0.006 2 2382 223 223 GLN C C 180.759 0.136 1 2383 223 223 GLN CA C 59.788 0.071 1 2384 223 223 GLN CB C 28.275 0.040 1 2385 223 223 GLN CD C 179.244 0.136 1 2386 223 223 GLN CG C 34.171 0.026 1 2387 223 223 GLN N N 122.544 0.157 1 2388 223 223 GLN NE2 N 111.574 0.042 1 2389 224 224 LYS H H 8.070 0.010 1 2390 224 224 LYS HA H 4.126 0.011 1 2391 224 224 LYS HB2 H 1.901 0.009 2 2392 224 224 LYS HB3 H 1.901 0.009 2 2393 224 224 LYS HD2 H 1.687 0.001 2 2394 224 224 LYS HD3 H 1.687 0.001 2 2395 224 224 LYS HE2 H 2.973 0.010 2 2396 224 224 LYS HE3 H 2.973 0.010 2 2397 224 224 LYS HG2 H 1.581 0.011 2 2398 224 224 LYS HG3 H 1.581 0.011 2 2399 224 224 LYS C C 177.280 0.136 1 2400 224 224 LYS CA C 58.787 0.014 1 2401 224 224 LYS CB C 32.566 0.045 1 2402 224 224 LYS CD C 29.530 0.219 1 2403 224 224 LYS CE C 42.238 0.022 1 2404 224 224 LYS CG C 25.288 0.219 1 2405 224 224 LYS N N 118.145 0.207 1 2406 225 225 LEU H H 7.178 0.010 1 2407 225 225 LEU HA H 4.435 0.008 1 2408 225 225 LEU HB2 H 1.997 0.015 2 2409 225 225 LEU HB3 H 1.791 0.009 2 2410 225 225 LEU HD1 H 0.852 0.012 2 2411 225 225 LEU HD2 H 0.852 0.012 2 2412 225 225 LEU HG H 0.966 0.009 1 2413 225 225 LEU C C 176.258 0.136 1 2414 225 225 LEU CA C 53.886 0.071 1 2415 225 225 LEU CB C 44.047 0.069 1 2416 225 225 LEU CD1 C 23.256 0.219 2 2417 225 225 LEU CD2 C 23.223 0.219 2 2418 225 225 LEU CG C 25.998 0.089 1 2419 225 225 LEU N N 117.159 0.167 1 2420 226 226 GLY H H 7.891 0.008 1 2421 226 226 GLY HA2 H 3.780 0.006 2 2422 226 226 GLY HA3 H 4.087 0.009 2 2423 226 226 GLY C C 174.002 0.136 1 2424 226 226 GLY CA C 45.804 0.072 1 2425 226 226 GLY N N 107.162 0.121 1 2426 227 227 ILE H H 7.834 0.011 1 2427 227 227 ILE HA H 4.112 0.010 1 2428 227 227 ILE HB H 1.987 0.007 1 2429 227 227 ILE HD1 H 1.000 0.008 1 2430 227 227 ILE HG12 H 1.551 0.012 2 2431 227 227 ILE HG13 H 1.551 0.012 2 2432 227 227 ILE HG2 H 0.979 0.010 1 2433 227 227 ILE C C 174.715 0.136 1 2434 227 227 ILE CA C 60.619 0.064 1 2435 227 227 ILE CB C 37.852 0.076 1 2436 227 227 ILE CD1 C 14.137 0.043 1 2437 227 227 ILE CG1 C 28.541 0.219 1 2438 227 227 ILE CG2 C 17.911 0.049 1 2439 227 227 ILE N N 121.263 0.173 1 2440 228 228 LYS H H 8.609 0.010 1 2441 228 228 LYS HA H 3.989 0.017 1 2442 228 228 LYS HB2 H 1.818 0.007 2 2443 228 228 LYS HB3 H 1.678 0.006 2 2444 228 228 LYS HD2 H 1.700 0.007 2 2445 228 228 LYS HD3 H 1.700 0.007 2 2446 228 228 LYS HE2 H 2.989 0.008 2 2447 228 228 LYS HE3 H 2.989 0.008 2 2448 228 228 LYS HG2 H 1.442 0.016 2 2449 228 228 LYS HG3 H 1.368 0.010 2 2450 228 228 LYS C C 176.417 0.136 1 2451 228 228 LYS CA C 59.340 0.094 1 2452 228 228 LYS CB C 33.609 0.098 1 2453 228 228 LYS CD C 29.475 0.015 1 2454 228 228 LYS CE C 42.136 0.066 1 2455 228 228 LYS CG C 24.780 0.042 1 2456 228 228 LYS N N 123.466 0.133 1 2457 229 229 ASP H H 7.156 0.009 1 2458 229 229 ASP HA H 4.011 0.008 1 2459 229 229 ASP HB2 H 2.765 0.009 2 2460 229 229 ASP HB3 H 2.765 0.009 2 2461 229 229 ASP C C 174.711 0.136 1 2462 229 229 ASP CA C 52.553 0.065 1 2463 229 229 ASP CB C 42.207 0.065 1 2464 229 229 ASP N N 112.165 0.169 1 2465 230 230 LYS H H 7.507 0.012 1 2466 230 230 LYS HA H 3.193 0.007 1 2467 230 230 LYS HB2 H 1.086 0.005 2 2468 230 230 LYS HB3 H 1.365 0.008 2 2469 230 230 LYS HD2 H 1.575 0.002 2 2470 230 230 LYS HD3 H 1.492 0.004 2 2471 230 230 LYS HE2 H 2.558 0.007 2 2472 230 230 LYS HE3 H 2.558 0.007 2 2473 230 230 LYS HG2 H 1.098 0.016 2 2474 230 230 LYS HG3 H 1.177 0.005 2 2475 230 230 LYS C C 177.939 0.136 1 2476 230 230 LYS CA C 57.937 0.051 1 2477 230 230 LYS CB C 31.839 0.057 1 2478 230 230 LYS CD C 29.806 0.012 1 2479 230 230 LYS CE C 41.738 0.035 1 2480 230 230 LYS CG C 23.390 0.010 1 2481 230 230 LYS N N 116.051 0.155 1 2482 231 231 ASN H H 7.792 0.017 1 2483 231 231 ASN HA H 4.286 0.003 1 2484 231 231 ASN HB2 H 2.867 0.007 2 2485 231 231 ASN HB3 H 2.589 0.011 2 2486 231 231 ASN HD21 H 6.800 0.003 2 2487 231 231 ASN HD22 H 7.600 0.007 2 2488 231 231 ASN C C 177.896 0.136 1 2489 231 231 ASN CA C 56.009 0.081 1 2490 231 231 ASN CB C 37.510 0.087 1 2491 231 231 ASN CG C 176.230 0.136 1 2492 231 231 ASN N N 120.371 0.215 1 2493 231 231 ASN ND2 N 113.370 0.031 1 2494 232 232 GLU H H 8.353 0.009 1 2495 232 232 GLU HA H 4.125 0.006 1 2496 232 232 GLU HB2 H 2.094 0.004 2 2497 232 232 GLU HB3 H 2.094 0.004 2 2498 232 232 GLU HG2 H 2.462 0.008 2 2499 232 232 GLU HG3 H 2.462 0.008 2 2500 232 232 GLU C C 179.676 0.136 1 2501 232 232 GLU CA C 59.361 0.162 1 2502 232 232 GLU CB C 29.152 0.075 1 2503 232 232 GLU CG C 36.366 0.075 1 2504 232 232 GLU N N 122.480 0.112 1 2505 233 233 ALA H H 7.921 0.007 1 2506 233 233 ALA HA H 3.995 0.010 1 2507 233 233 ALA HB H 1.593 0.007 1 2508 233 233 ALA C C 178.576 0.136 1 2509 233 233 ALA CA C 55.609 0.007 1 2510 233 233 ALA CB C 17.604 0.067 1 2511 233 233 ALA N N 120.240 0.099 1 2512 234 234 ALA H H 7.559 0.011 1 2513 234 234 ALA HA H 4.240 0.013 1 2514 234 234 ALA HB H 1.350 0.003 1 2515 234 234 ALA C C 178.332 0.136 1 2516 234 234 ALA CA C 54.077 0.071 1 2517 234 234 ALA CB C 17.868 0.029 1 2518 234 234 ALA N N 119.691 0.173 1 2519 235 235 ARG H H 7.315 0.011 1 2520 235 235 ARG HA H 4.263 0.011 1 2521 235 235 ARG HB2 H 1.992 0.010 2 2522 235 235 ARG HB3 H 1.992 0.010 2 2523 235 235 ARG HD2 H 3.219 0.013 2 2524 235 235 ARG HD3 H 3.219 0.013 2 2525 235 235 ARG HG2 H 1.597 0.007 2 2526 235 235 ARG HG3 H 1.778 0.022 2 2527 235 235 ARG C C 178.022 0.136 1 2528 235 235 ARG CA C 57.573 0.084 1 2529 235 235 ARG CB C 30.378 0.052 1 2530 235 235 ARG CD C 43.380 0.021 1 2531 235 235 ARG CG C 27.892 0.056 1 2532 235 235 ARG N N 115.385 0.070 1 2533 236 236 ILE H H 7.583 0.011 1 2534 236 236 ILE HA H 4.260 0.006 1 2535 236 236 ILE HB H 1.970 0.006 1 2536 236 236 ILE HD1 H 0.929 0.006 1 2537 236 236 ILE HG12 H 1.808 0.007 2 2538 236 236 ILE HG13 H 1.287 0.008 2 2539 236 236 ILE HG2 H 1.299 0.006 1 2540 236 236 ILE C C 176.366 0.136 1 2541 236 236 ILE CA C 64.231 0.035 1 2542 236 236 ILE CB C 41.096 0.083 1 2543 236 236 ILE CD1 C 14.671 0.030 1 2544 236 236 ILE CG1 C 28.267 0.009 1 2545 236 236 ILE CG2 C 16.902 0.002 1 2546 236 236 ILE N N 119.302 0.156 1 2547 237 237 VAL H H 8.499 0.009 1 2548 237 237 VAL HA H 4.307 0.004 1 2549 237 237 VAL HB H 1.969 0.006 1 2550 237 237 VAL HG1 H 0.899 0.008 2 2551 237 237 VAL HG2 H 1.039 0.006 2 2552 237 237 VAL C C 173.164 0.136 1 2553 237 237 VAL CA C 62.227 0.053 1 2554 237 237 VAL CB C 34.253 0.045 1 2555 237 237 VAL CG1 C 22.638 0.028 2 2556 237 237 VAL CG2 C 23.760 0.019 2 2557 237 237 VAL N N 120.563 0.151 1 2558 238 238 ALA H H 9.200 0.009 1 2559 238 238 ALA HA H 4.498 0.008 1 2560 238 238 ALA HB H 1.252 0.008 1 2561 238 238 ALA C C 177.069 0.136 1 2562 238 238 ALA CA C 53.515 0.082 1 2563 238 238 ALA CB C 20.002 0.049 1 2564 238 238 ALA N N 128.235 0.157 1 2565 239 239 LEU H H 7.276 0.007 1 2566 239 239 LEU HA H 4.887 0.014 1 2567 239 239 LEU HB2 H 1.552 0.014 2 2568 239 239 LEU HB3 H 1.351 0.012 2 2569 239 239 LEU HD1 H 0.974 0.008 2 2570 239 239 LEU HD2 H 0.974 0.008 2 2571 239 239 LEU HG H 0.771 0.004 1 2572 239 239 LEU C C 174.573 0.136 1 2573 239 239 LEU CA C 54.004 0.041 1 2574 239 239 LEU CB C 47.215 0.067 1 2575 239 239 LEU CG C 26.826 0.031 1 2576 239 239 LEU N N 116.575 0.082 1 2577 240 240 VAL H H 7.876 0.008 1 2578 240 240 VAL HA H 4.268 0.011 1 2579 240 240 VAL HB H 1.895 0.006 1 2580 240 240 VAL HG1 H 0.795 0.001 2 2581 240 240 VAL HG2 H 0.743 0.014 2 2582 240 240 VAL C C 173.615 0.136 1 2583 240 240 VAL CA C 60.110 0.017 1 2584 240 240 VAL CB C 34.885 0.086 1 2585 240 240 VAL CG1 C 21.590 0.017 2 2586 240 240 VAL CG2 C 21.692 0.118 2 2587 240 240 VAL N N 116.081 0.081 1 2588 241 241 LYS H H 7.215 0.007 1 2589 241 241 LYS HA H 3.727 0.008 1 2590 241 241 LYS HB2 H 0.221 0.016 2 2591 241 241 LYS HB3 H 0.921 0.013 2 2592 241 241 LYS HD2 H 1.429 0.008 2 2593 241 241 LYS HD3 H 1.429 0.008 2 2594 241 241 LYS HE2 H 2.884 0.006 2 2595 241 241 LYS HE3 H 2.974 0.005 2 2596 241 241 LYS HG2 H 1.115 0.008 2 2597 241 241 LYS HG3 H 1.491 0.006 2 2598 241 241 LYS C C 175.297 0.136 1 2599 241 241 LYS CA C 57.121 0.090 1 2600 241 241 LYS CB C 32.297 0.074 1 2601 241 241 LYS CD C 29.154 0.083 1 2602 241 241 LYS CE C 42.616 0.010 1 2603 241 241 LYS CG C 25.662 0.146 1 2604 241 241 LYS N N 123.420 0.153 1 2605 242 242 ASN H H 8.566 0.010 1 2606 242 242 ASN HA H 4.125 0.005 1 2607 242 242 ASN HB2 H 3.207 0.010 2 2608 242 242 ASN HB3 H 2.631 0.011 2 2609 242 242 ASN HD21 H 7.208 0.007 2 2610 242 242 ASN HD22 H 7.397 0.004 2 2611 242 242 ASN C C 175.822 0.136 1 2612 242 242 ASN CA C 53.772 0.091 1 2613 242 242 ASN CB C 38.068 0.079 1 2614 242 242 ASN CG C 177.713 0.136 1 2615 242 242 ASN N N 125.296 0.073 1 2616 242 242 ASN ND2 N 112.557 0.065 1 2617 243 243 GLN H H 7.014 0.010 1 2618 243 243 GLN HA H 4.102 0.009 1 2619 243 243 GLN HB2 H 0.822 0.012 2 2620 243 243 GLN HB3 H 1.614 0.012 2 2621 243 243 GLN HE21 H 6.978 0.002 2 2622 243 243 GLN HE22 H 6.486 0.008 2 2623 243 243 GLN HG2 H 1.445 0.008 2 2624 243 243 GLN HG3 H 1.354 0.011 2 2625 243 243 GLN C C 175.541 0.136 1 2626 243 243 GLN CA C 54.442 0.088 1 2627 243 243 GLN CB C 28.919 0.114 1 2628 243 243 GLN CD C 179.483 0.136 1 2629 243 243 GLN CG C 32.784 0.027 1 2630 243 243 GLN N N 122.114 0.165 1 2631 243 243 GLN NE2 N 112.538 0.014 1 2632 244 244 THR H H 8.099 0.005 1 2633 244 244 THR HA H 4.211 0.006 1 2634 244 244 THR HB H 4.069 0.004 1 2635 244 244 THR HG2 H 1.153 0.007 1 2636 244 244 THR C C 174.139 0.136 1 2637 244 244 THR CA C 62.227 0.015 1 2638 244 244 THR CB C 69.587 0.034 1 2639 244 244 THR CG2 C 21.409 0.048 1 2640 244 244 THR N N 115.745 0.196 1 2641 245 245 THR H H 8.056 0.004 1 2642 245 245 THR HA H 4.338 0.008 1 2643 245 245 THR HB H 4.173 0.007 1 2644 245 245 THR HG2 H 1.142 0.007 1 2645 245 245 THR C C 173.948 0.136 1 2646 245 245 THR CA C 61.241 0.096 1 2647 245 245 THR CB C 69.832 0.033 1 2648 245 245 THR CG2 C 21.359 0.068 1 2649 245 245 THR N N 116.655 0.122 1 2650 246 246 ALA H H 8.242 0.010 1 2651 246 246 ALA HA H 4.293 0.010 1 2652 246 246 ALA HB H 1.332 0.004 1 2653 246 246 ALA C C 176.850 0.136 1 2654 246 246 ALA CA C 52.253 0.061 1 2655 246 246 ALA CB C 19.507 0.219 1 2656 246 246 ALA N N 126.570 0.176 1 2657 247 247 ALA H H 8.163 0.003 1 2658 247 247 ALA HA H 4.280 0.011 1 2659 247 247 ALA HB H 1.336 0.003 1 2660 247 247 ALA C C 176.140 0.136 1 2661 247 247 ALA CA C 52.282 0.081 1 2662 247 247 ALA CB C 19.368 0.043 1 2663 247 247 ALA N N 124.233 0.041 1 2664 248 248 ALA H H 7.780 0.012 1 2665 248 248 ALA HA H 4.084 0.005 1 2666 248 248 ALA HB H 1.308 0.004 1 2667 248 248 ALA C C 182.207 0.136 1 2668 248 248 ALA CA C 53.701 0.067 1 2669 248 248 ALA CB C 20.287 0.073 1 2670 248 248 ALA N N 128.834 0.187 1 stop_ save_