data_19489 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR SOLUTION STRUCTURE OF MSP-P56S DOMAIN/VAPB in DPC ; _BMRB_accession_number 19489 _BMRB_flat_file_name bmr19489.str _Entry_type original _Submission_date 2013-09-11 _Accession_date 2013-09-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Haina . . 2 Lim 'Liang Zhong' . . 3 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 522 "13C chemical shifts" 230 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-10-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'ALS-causing P56S mutation and splicing variation on the hVAPB MSP domain transform its -sandwich fold into lipid-interacting helical conformations.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23333387 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Haina . . 2 Wang Wei . . 3 Song Jianxing . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 431 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 398 _Page_last 403 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MSP-P56S DOMAIN/VAPB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MSP-P56S DOMAIN/VAPB' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14206.426 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MAKVEQVLSLEPQHELKFRG PFTDVVTTNLKLGNPTDRNV CFKVKTTAPRRYCVRSNSGI IDAGASINVSVMLQPFDYDP NEKSKHKFMVQSMFAPTDTS DMEAVWKEAKPEDLMDSKLR CVFEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 VAL 5 GLU 6 GLN 7 VAL 8 LEU 9 SER 10 LEU 11 GLU 12 PRO 13 GLN 14 HIS 15 GLU 16 LEU 17 LYS 18 PHE 19 ARG 20 GLY 21 PRO 22 PHE 23 THR 24 ASP 25 VAL 26 VAL 27 THR 28 THR 29 ASN 30 LEU 31 LYS 32 LEU 33 GLY 34 ASN 35 PRO 36 THR 37 ASP 38 ARG 39 ASN 40 VAL 41 CYS 42 PHE 43 LYS 44 VAL 45 LYS 46 THR 47 THR 48 ALA 49 PRO 50 ARG 51 ARG 52 TYR 53 CYS 54 VAL 55 ARG 56 SER 57 ASN 58 SER 59 GLY 60 ILE 61 ILE 62 ASP 63 ALA 64 GLY 65 ALA 66 SER 67 ILE 68 ASN 69 VAL 70 SER 71 VAL 72 MET 73 LEU 74 GLN 75 PRO 76 PHE 77 ASP 78 TYR 79 ASP 80 PRO 81 ASN 82 GLU 83 LYS 84 SER 85 LYS 86 HIS 87 LYS 88 PHE 89 MET 90 VAL 91 GLN 92 SER 93 MET 94 PHE 95 ALA 96 PRO 97 THR 98 ASP 99 THR 100 SER 101 ASP 102 MET 103 GLU 104 ALA 105 VAL 106 TRP 107 LYS 108 GLU 109 ALA 110 LYS 111 PRO 112 GLU 113 ASP 114 LEU 115 MET 116 ASP 117 SER 118 LYS 119 LEU 120 ARG 121 CYS 122 VAL 123 PHE 124 GLU 125 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MDK "Nmr Solution Structure Of Msp-p56s Domain/vapb In Dpc" 100.00 125 100.00 100.00 1.95e-87 PDB 3IKK "Crystal Structure Analysis Of Msp Domain" 100.00 127 99.20 99.20 2.07e-86 DBJ BAC56577 "similar to Vesicle-associated membrane protein-associated protein B/C [Bos taurus]" 100.00 147 99.20 99.20 2.69e-86 DBJ BAE89665 "unnamed protein product [Macaca fascicularis]" 100.00 243 99.20 99.20 1.91e-86 DBJ BAG51174 "unnamed protein product [Homo sapiens]" 100.00 243 99.20 99.20 1.91e-86 DBJ BAI47207 "VAMP (vesicle-associated membrane protein)-associated protein B and C [synthetic construct]" 100.00 243 99.20 99.20 1.91e-86 EMBL CAN13351 "VAMP (vesicle-associated membrane protein)-associated protein B and C [Sus scrofa]" 100.00 243 97.60 97.60 5.84e-85 GB AAD13577 "VAMP-associated protein B [Homo sapiens]" 100.00 243 99.20 99.20 1.91e-86 GB AAD13578 "VAMP-associated protein C [Homo sapiens]" 56.00 99 98.57 98.57 1.46e-41 GB AAH01712 "VAPB protein [Homo sapiens]" 100.00 243 99.20 99.20 1.91e-86 GB AAI33498 "VAPB protein [Bos taurus]" 100.00 243 99.20 99.20 1.96e-86 GB AAP88813 "VAMP (vesicle-associated membrane protein)-associated protein B and C [Homo sapiens]" 100.00 243 99.20 99.20 1.91e-86 REF NP_001075892 "vesicle-associated membrane protein-associated protein B [Bos taurus]" 100.00 243 99.20 99.20 1.96e-86 REF NP_001116685 "vesicle-associated membrane protein-associated protein B [Sus scrofa]" 100.00 243 97.60 97.60 5.84e-85 REF NP_001182606 "vesicle-associated membrane protein-associated protein B/C isoform 2 [Homo sapiens]" 56.00 99 98.57 98.57 1.46e-41 REF NP_001244417 "VAMP (vesicle-associated membrane protein)-associated protein B and C [Macaca mulatta]" 100.00 243 99.20 99.20 1.91e-86 REF NP_001274609 "VAMP (vesicle-associated membrane protein)-associated protein B and C [Macaca fascicularis]" 100.00 243 99.20 99.20 1.91e-86 SP A2VDZ9 "RecName: Full=Vesicle-associated membrane protein-associated protein B; Short=VAMP-B; Short=VAMP-associated protein B; Short=VA" 100.00 243 99.20 99.20 1.96e-86 SP A5GFS8 "RecName: Full=Vesicle-associated membrane protein-associated protein B; Short=VAMP-B; Short=VAMP-associated protein B; Short=VA" 100.00 243 97.60 97.60 5.84e-85 SP O95292 "RecName: Full=Vesicle-associated membrane protein-associated protein B/C; Short=VAMP-B/VAMP-C; Short=VAMP-associated protein B/" 100.00 243 99.20 99.20 1.91e-86 TPG DAA23133 "TPA: vesicle-associated membrane protein-associated protein B [Bos taurus]" 100.00 243 99.20 99.20 1.96e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pGEX-4T-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity . mM '[U-13C; U-15N]' DPC 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_pH4_313K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 . pH pressure 1 . atm temperature 313 . 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 TMS C 13 'methyl carbon' ppm . internal direct . . . 1 water H 1 protons ppm . internal direct . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm . internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $pH4_313K _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MSP-P56S DOMAIN/VAPB' _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 CA C 54.500 . . 2 1 1 MET CB C 32.650 . . 3 2 2 ALA H H 8.793 . . 4 2 2 ALA HA H 4.491 . . 5 2 2 ALA HB H 1.543 . . 6 2 2 ALA CA C 52.320 . . 7 2 2 ALA CB C 18.810 . . 8 2 2 ALA N N 127.968 . . 9 3 3 LYS H H 8.623 . . 10 3 3 LYS HA H 4.395 . . 11 3 3 LYS HB2 H 1.964 . . 12 3 3 LYS HG2 H 1.554 . . 13 3 3 LYS HD2 H 1.638 . . 14 3 3 LYS CA C 56.913 . . 15 3 3 LYS CB C 32.120 . . 16 3 3 LYS N N 120.234 . . 17 4 4 VAL H H 8.468 . . 18 4 4 VAL HA H 3.893 . . 19 4 4 VAL HB H 2.217 . . 20 4 4 VAL HG1 H 1.046 . . 21 4 4 VAL HG2 H 1.125 . . 22 4 4 VAL CA C 64.480 . . 23 4 4 VAL CB C 31.270 . . 24 4 4 VAL N N 119.633 . . 25 5 5 GLU H H 8.314 . . 26 5 5 GLU HA H 4.425 . . 27 5 5 GLU HB2 H 2.183 . . 28 5 5 GLU HB3 H 2.084 . . 29 5 5 GLU HG2 H 2.454 . . 30 5 5 GLU HG3 H 2.472 . . 31 5 5 GLU CA C 57.770 . . 32 5 5 GLU CB C 27.920 . . 33 5 5 GLU N N 119.289 . . 34 6 6 GLN H H 8.097 . . 35 6 6 GLN HA H 4.292 . . 36 6 6 GLN HB2 H 2.486 . . 37 6 6 GLN HG2 H 2.237 . . 38 6 6 GLN HE21 H 6.864 . . 39 6 6 GLN HE22 H 7.533 . . 40 6 6 GLN CA C 57.435 . . 41 6 6 GLN CB C 28.374 . . 42 6 6 GLN N N 119.030 . . 43 6 6 GLN NE2 N 111.276 . . 44 7 7 VAL H H 7.974 . . 45 7 7 VAL HA H 3.986 . . 46 7 7 VAL HB H 2.280 . . 47 7 7 VAL HG1 H 1.048 . . 48 7 7 VAL HG2 H 1.111 . . 49 7 7 VAL CA C 63.619 . . 50 7 7 VAL CB C 31.678 . . 51 7 7 VAL N N 118.687 . . 52 8 8 LEU H H 8.039 . . 53 8 8 LEU HA H 4.352 . . 54 8 8 LEU HB2 H 1.810 . . 55 8 8 LEU HG H 1.692 . . 56 8 8 LEU HD1 H 0.940 . . 57 8 8 LEU HD2 H 1.000 . . 58 8 8 LEU CA C 55.480 . . 59 8 8 LEU CB C 41.400 . . 60 8 8 LEU N N 120.406 . . 61 9 9 SER H H 7.974 . . 62 9 9 SER HA H 4.501 . . 63 9 9 SER HB2 H 4.000 . . 64 9 9 SER CA C 58.510 . . 65 9 9 SER CB C 63.210 . . 66 9 9 SER N N 114.418 . . 67 10 10 LEU H H 7.946 . . 68 10 10 LEU HA H 4.444 . . 69 10 10 LEU HB2 H 1.846 . . 70 10 10 LEU HG H 1.694 . . 71 10 10 LEU HD1 H 1.029 . . 72 10 10 LEU CA C 54.650 . . 73 10 10 LEU CB C 42.170 . . 74 10 10 LEU N N 122.211 . . 75 11 11 GLU H H 8.077 . . 76 11 11 GLU HA H 4.055 . . 77 11 11 GLU HB2 H 1.097 . . 78 11 11 GLU HB3 H 0.962 . . 79 11 11 GLU HG2 H 2.255 . . 80 11 11 GLU CA C 54.010 . . 81 11 11 GLU CB C 27.950 . . 82 11 11 GLU N N 119.398 . . 83 12 12 PRO HA H 4.485 . . 84 12 12 PRO HB2 H 2.377 . . 85 12 12 PRO HG2 H 2.063 . . 86 12 12 PRO HG3 H 1.999 . . 87 12 12 PRO HD2 H 3.911 . . 88 12 12 PRO HD3 H 3.802 . . 89 12 12 PRO CA C 63.535 . . 90 12 12 PRO CB C 31.332 . . 91 13 13 GLN H H 8.675 . . 92 13 13 GLN HA H 4.280 . . 93 13 13 GLN HB2 H 2.141 . . 94 13 13 GLN HB3 H 2.051 . . 95 13 13 GLN HG2 H 2.455 . . 96 13 13 GLN HG3 H 2.375 . . 97 13 13 GLN HE21 H 6.881 . . 98 13 13 GLN HE22 H 7.591 . . 99 13 13 GLN CA C 56.209 . . 100 13 13 GLN CB C 28.230 . . 101 13 13 GLN N N 118.344 . . 102 13 13 GLN NE2 N 111.897 . . 103 14 14 HIS H H 8.284 . . 104 14 14 HIS HA H 4.785 . . 105 14 14 HIS HB2 H 3.408 . . 106 14 14 HIS HB3 H 3.303 . . 107 14 14 HIS CA C 54.993 . . 108 14 14 HIS CB C 28.608 . . 109 14 14 HIS N N 117.141 . . 110 15 15 GLU H H 8.344 . . 111 15 15 GLU HA H 4.421 . . 112 15 15 GLU HB2 H 2.169 . . 113 15 15 GLU HB3 H 2.068 . . 114 15 15 GLU HG2 H 2.455 . . 115 15 15 GLU CA C 55.900 . . 116 15 15 GLU CB C 28.797 . . 117 15 15 GLU N N 119.547 . . 118 16 16 LEU H H 8.258 . . 119 16 16 LEU HA H 4.421 . . 120 16 16 LEU HB2 H 1.734 . . 121 16 16 LEU HG H 1.596 . . 122 16 16 LEU HD1 H 1.030 . . 123 16 16 LEU HD2 H 0.971 . . 124 16 16 LEU CA C 54.720 . . 125 16 16 LEU CB C 41.845 . . 126 16 16 LEU N N 122.211 . . 127 17 17 LYS H H 8.092 . . 128 17 17 LYS HA H 4.409 . . 129 17 17 LYS HB2 H 1.798 . . 130 17 17 LYS HG2 H 1.379 . . 131 17 17 LYS CA C 55.570 . . 132 17 17 LYS CB C 32.525 . . 133 17 17 LYS N N 121.008 . . 134 18 18 PHE H H 8.183 . . 135 18 18 PHE HA H 4.737 . . 136 18 18 PHE HB2 H 3.257 . . 137 18 18 PHE HB3 H 3.138 . . 138 18 18 PHE CA C 57.265 . . 139 18 18 PHE CB C 39.388 . . 140 18 18 PHE N N 119.805 . . 141 19 19 ARG H H 8.283 . . 142 19 19 ARG HA H 4.456 . . 143 19 19 ARG HB2 H 1.986 . . 144 19 19 ARG HB3 H 1.870 . . 145 19 19 ARG HG2 H 1.713 . . 146 19 19 ARG HD2 H 3.320 . . 147 19 19 ARG CA C 55.810 . . 148 19 19 ARG CB C 30.613 . . 149 19 19 ARG N N 121.010 . . 150 20 20 GLY H H 8.204 . . 151 20 20 GLY HA2 H 4.184 . . 152 20 20 GLY HA3 H 4.101 . . 153 20 20 GLY CA C 44.890 . . 154 20 20 GLY N N 109.321 . . 155 21 21 PRO HA H 4.544 . . 156 21 21 PRO HB2 H 2.337 . . 157 21 21 PRO HB3 H 1.981 . . 158 21 21 PRO HG2 H 1.887 . . 159 21 21 PRO HD2 H 3.721 . . 160 21 21 PRO CA C 63.530 . . 161 21 21 PRO CB C 31.254 . . 162 22 22 PHE H H 8.505 . . 163 22 22 PHE HA H 4.538 . . 164 22 22 PHE HB2 H 3.260 . . 165 22 22 PHE CA C 58.960 . . 166 22 22 PHE CB C 38.618 . . 167 22 22 PHE N N 118.773 . . 168 23 23 THR H H 8.150 . . 169 23 23 THR HA H 4.338 . . 170 23 23 THR HB H 4.054 . . 171 23 23 THR HG2 H 1.322 . . 172 23 23 THR CA C 63.953 . . 173 23 23 THR CB C 68.510 . . 174 23 23 THR N N 112.672 . . 175 24 24 ASP H H 8.238 . . 176 24 24 ASP HA H 4.668 . . 177 24 24 ASP HB2 H 2.892 . . 178 24 24 ASP CA C 54.893 . . 179 24 24 ASP CB C 38.880 . . 180 24 24 ASP N N 121.093 . . 181 25 25 VAL H H 7.900 . . 182 25 25 VAL HA H 4.044 . . 183 25 25 VAL HB H 2.245 . . 184 25 25 VAL HG1 H 1.010 . . 185 25 25 VAL HG2 H 1.089 . . 186 25 25 VAL CA C 63.830 . . 187 25 25 VAL CB C 31.640 . . 188 25 25 VAL N N 119.289 . . 189 26 26 VAL H H 7.903 . . 190 26 26 VAL HA H 4.016 . . 191 26 26 VAL HB H 2.219 . . 192 26 26 VAL HG1 H 0.970 . . 193 26 26 VAL HG2 H 1.088 . . 194 26 26 VAL CA C 63.230 . . 195 26 26 VAL CB C 31.030 . . 196 26 26 VAL N N 119.547 . . 197 27 27 THR H H 8.012 . . 198 27 27 THR HA H 4.409 . . 199 27 27 THR HB H 4.292 . . 200 27 27 THR HG2 H 1.304 . . 201 27 27 THR CA C 63.564 . . 202 27 27 THR CB C 68.770 . . 203 27 27 THR N N 115.078 . . 204 28 28 THR H H 8.191 . . 205 28 28 THR HA H 4.409 . . 206 28 28 THR HB H 4.291 . . 207 28 28 THR HG2 H 1.333 . . 208 28 28 THR CA C 63.564 . . 209 28 28 THR CB C 68.770 . . 210 28 28 THR N N 113.016 . . 211 29 29 ASN H H 8.335 . . 212 29 29 ASN HA H 4.421 . . 213 29 29 ASN HB2 H 2.980 . . 214 29 29 ASN CA C 57.770 . . 215 29 29 ASN CB C 27.858 . . 216 29 29 ASN N N 117.740 . . 217 30 30 LEU H H 8.140 . . 218 30 30 LEU HA H 4.669 . . 219 30 30 LEU HB2 H 1.691 . . 220 30 30 LEU HG H 1.454 . . 221 30 30 LEU HD1 H 1.363 . . 222 30 30 LEU CA C 54.469 . . 223 30 30 LEU CB C 38.620 . . 224 30 30 LEU N N 118.687 . . 225 31 31 LYS H H 8.011 . . 226 31 31 LYS HA H 4.411 . . 227 31 31 LYS HB2 H 1.886 . . 228 31 31 LYS HB3 H 1.792 . . 229 31 31 LYS HG2 H 1.693 . . 230 31 31 LYS CA C 55.655 . . 231 31 31 LYS CB C 31.670 . . 232 31 31 LYS N N 119.719 . . 233 32 32 LEU H H 8.147 . . 234 32 32 LEU HA H 4.414 . . 235 32 32 LEU HB2 H 1.933 . . 236 32 32 LEU HG H 1.766 . . 237 32 32 LEU HD1 H 1.674 . . 238 32 32 LEU CA C 54.505 . . 239 32 32 LEU CB C 42.180 . . 240 32 32 LEU N N 121.093 . . 241 33 33 GLY H H 8.313 . . 242 33 33 GLY HA2 H 4.013 . . 243 33 33 GLY CA C 44.550 . . 244 33 33 GLY N N 107.946 . . 245 34 34 ASN H H 8.354 . . 246 34 34 ASN HA H 5.051 . . 247 34 34 ASN HB2 H 2.963 . . 248 34 34 ASN HB3 H 2.807 . . 249 34 34 ASN HD21 H 7.012 . . 250 34 34 ASN HD22 H 7.813 . . 251 34 34 ASN CA C 50.780 . . 252 34 34 ASN CB C 38.530 . . 253 34 34 ASN N N 119.031 . . 254 34 34 ASN ND2 N 113.871 . . 255 35 35 PRO HA H 4.546 . . 256 35 35 PRO HB2 H 2.386 . . 257 35 35 PRO HB3 H 2.099 . . 258 35 35 PRO HG2 H 1.306 . . 259 35 35 PRO HD2 H 3.958 . . 260 35 35 PRO HD3 H 3.862 . . 261 35 35 PRO CA C 63.530 . . 262 35 35 PRO CB C 31.417 . . 263 36 36 THR H H 8.135 . . 264 36 36 THR HA H 4.362 . . 265 36 36 THR HG2 H 1.304 . . 266 36 36 THR CA C 62.010 . . 267 36 36 THR CB C 69.040 . . 268 36 36 THR N N 111.899 . . 269 37 37 ASP H H 8.170 . . 270 37 37 ASP HA H 4.738 . . 271 37 37 ASP HB2 H 2.903 . . 272 37 37 ASP HB3 H 2.845 . . 273 37 37 ASP CA C 53.530 . . 274 37 37 ASP CB C 39.380 . . 275 37 37 ASP N N 121.265 . . 276 38 38 ARG H H 8.190 . . 277 38 38 ARG HA H 4.350 . . 278 38 38 ARG HB2 H 1.965 . . 279 38 38 ARG HG2 H 1.869 . . 280 38 38 ARG HD2 H 1.730 . . 281 38 38 ARG CA C 55.994 . . 282 38 38 ARG CB C 30.060 . . 283 38 38 ARG N N 120.320 . . 284 39 39 ASN H H 8.417 . . 285 39 39 ASN HA H 4.785 . . 286 39 39 ASN HB2 H 2.922 . . 287 39 39 ASN HB3 H 2.864 . . 288 39 39 ASN CA C 53.114 . . 289 39 39 ASN CB C 38.370 . . 290 39 39 ASN N N 118.859 . . 291 40 40 VAL H H 8.037 . . 292 40 40 VAL HA H 4.177 . . 293 40 40 VAL HB H 2.183 . . 294 40 40 VAL HG2 H 1.009 . . 295 40 40 VAL CA C 62.433 . . 296 40 40 VAL CB C 32.100 . . 297 40 40 VAL N N 119.416 . . 298 41 41 CYS H H 8.275 . . 299 41 41 CYS HA H 4.500 . . 300 41 41 CYS HB2 H 2.945 . . 301 41 41 CYS CA C 58.621 . . 302 41 41 CYS CB C 27.181 . . 303 41 41 CYS N N 121.046 . . 304 42 42 PHE H H 8.255 . . 305 42 42 PHE HA H 4.716 . . 306 42 42 PHE HB2 H 3.257 . . 307 42 42 PHE HB3 H 3.127 . . 308 42 42 PHE CA C 57.689 . . 309 42 42 PHE CB C 39.134 . . 310 42 42 PHE N N 121.523 . . 311 43 43 LYS H H 8.177 . . 312 43 43 LYS HA H 4.424 . . 313 43 43 LYS HB2 H 1.850 . . 314 43 43 LYS HB3 H 1.754 . . 315 43 43 LYS HG2 H 1.479 . . 316 43 43 LYS HD2 H 1.780 . . 317 43 43 LYS CA C 55.994 . . 318 43 43 LYS CB C 32.779 . . 319 43 43 LYS N N 121.953 . . 320 44 44 VAL H H 8.118 . . 321 44 44 VAL HA H 4.177 . . 322 44 44 VAL HB H 2.175 . . 323 44 44 VAL HG2 H 1.046 . . 324 44 44 VAL CA C 62.264 . . 325 44 44 VAL CB C 32.186 . . 326 44 44 VAL N N 120.578 . . 327 45 45 LYS H H 8.404 . . 328 45 45 LYS HA H 4.476 . . 329 45 45 LYS HB2 H 1.957 . . 330 45 45 LYS HB3 H 1.872 . . 331 45 45 LYS HG2 H 1.575 . . 332 45 45 LYS HD2 H 1.501 . . 333 45 45 LYS CA C 56.164 . . 334 45 45 LYS CB C 32.520 . . 335 45 45 LYS N N 124.187 . . 336 46 46 THR H H 8.135 . . 337 46 46 THR HA H 4.491 . . 338 46 46 THR HB H 4.300 . . 339 46 46 THR HG2 H 1.265 . . 340 46 46 THR CA C 61.247 . . 341 46 46 THR CB C 69.381 . . 342 46 46 THR N N 114.649 . . 343 47 47 THR H H 8.110 . . 344 47 47 THR HA H 4.436 . . 345 47 47 THR HB H 4.300 . . 346 47 47 THR HG2 H 1.292 . . 347 47 47 THR CA C 61.240 . . 348 47 47 THR CB C 69.384 . . 349 47 47 THR N N 116.109 . . 350 48 48 ALA H H 8.303 . . 351 48 48 ALA HA H 4.668 . . 352 48 48 ALA HB H 1.469 . . 353 48 48 ALA CA C 50.400 . . 354 48 48 ALA CB C 17.610 . . 355 48 48 ALA N N 127.109 . . 356 49 49 PRO HD2 H 3.884 . . 357 49 49 PRO HD3 H 3.718 . . 358 52 52 TYR HA H 4.678 . . 359 52 52 TYR HB2 H 3.138 . . 360 52 52 TYR HB3 H 2.982 . . 361 52 52 TYR CA C 58.343 . . 362 52 52 TYR CB C 38.710 . . 363 53 53 CYS H H 8.229 . . 364 53 53 CYS HA H 4.641 . . 365 53 53 CYS HB2 H 2.990 . . 366 53 53 CYS CA C 57.858 . . 367 53 53 CYS CB C 27.696 . . 368 53 53 CYS N N 119.633 . . 369 54 54 VAL H H 8.225 . . 370 54 54 VAL HA H 4.231 . . 371 54 54 VAL HB H 2.208 . . 372 54 54 VAL HG2 H 1.033 . . 373 54 54 VAL CA C 62.179 . . 374 54 54 VAL CB C 32.186 . . 375 54 54 VAL N N 121.265 . . 376 55 55 ARG H H 8.430 . . 377 55 55 ARG HA H 4.491 . . 378 55 55 ARG HB2 H 1.985 . . 379 55 55 ARG HB3 H 1.886 . . 380 55 55 ARG HG2 H 1.733 . . 381 55 55 ARG HE H 2.201 . . 382 55 55 ARG CA C 55.486 . . 383 55 55 ARG CB C 30.492 . . 384 55 55 ARG N N 123.330 . . 385 56 56 SER H H 8.357 . . 386 56 56 SER HA H 4.518 . . 387 56 56 SER HB2 H 3.999 . . 388 56 56 SER HB3 H 3.919 . . 389 56 56 SER CA C 57.943 . . 390 56 56 SER CB C 63.619 . . 391 56 56 SER N N 116.367 . . 392 57 57 ASN H H 8.547 . . 393 57 57 ASN HA H 4.846 . . 394 57 57 ASN HB2 H 2.963 . . 395 57 57 ASN HB3 H 2.904 . . 396 57 57 ASN HD21 H 6.950 . . 397 57 57 ASN HD22 H 7.659 . . 398 57 57 ASN CA C 52.760 . . 399 57 57 ASN CB C 38.534 . . 400 57 57 ASN N N 120.578 . . 401 57 57 ASN ND2 N 112.543 . . 402 58 58 SER H H 8.326 . . 403 58 58 SER HA H 4.505 . . 404 58 58 SER HB2 H 4.001 . . 405 58 58 SER HB3 H 3.978 . . 406 58 58 SER CA C 58.620 . . 407 58 58 SER CB C 63.365 . . 408 58 58 SER N N 115.508 . . 409 59 59 GLY H H 8.469 . . 410 59 59 GLY HA2 H 4.095 . . 411 59 59 GLY CA C 45.230 . . 412 59 59 GLY N N 110.610 . . 413 60 60 ILE H H 8.198 . . 414 60 60 ILE HA H 4.186 . . 415 60 60 ILE HB H 1.962 . . 416 60 60 ILE HG12 H 1.607 . . 417 60 60 ILE HG13 H 1.279 . . 418 60 60 ILE HD1 H 0.992 . . 419 60 60 ILE CA C 62.010 . . 420 60 60 ILE CB C 38.200 . . 421 60 60 ILE N N 120.062 . . 422 61 61 ILE H H 8.046 . . 423 61 61 ILE HA H 4.177 . . 424 61 61 ILE HB H 1.990 . . 425 61 61 ILE HG12 H 1.607 . . 426 61 61 ILE HG13 H 1.292 . . 427 61 61 ILE HG2 H 0.978 . . 428 61 61 ILE CA C 61.162 . . 429 61 61 ILE CB C 38.117 . . 430 61 61 ILE N N 120.836 . . 431 62 62 ASP H H 8.351 . . 432 62 62 ASP HA H 4.709 . . 433 62 62 ASP HB2 H 2.919 . . 434 62 62 ASP HB3 H 2.810 . . 435 62 62 ASP CA C 61.247 . . 436 62 62 ASP CB C 39.049 . . 437 62 62 ASP N N 121.867 . . 438 63 63 ALA H H 8.255 . . 439 63 63 ALA HA H 4.341 . . 440 63 63 ALA HB H 1.511 . . 441 63 63 ALA CA C 52.944 . . 442 63 63 ALA CB C 18.460 . . 443 63 63 ALA N N 123.757 . . 444 64 64 GLY H H 8.445 . . 445 64 64 GLY HA2 H 3.972 . . 446 64 64 GLY CA C 45.400 . . 447 64 64 GLY N N 128.656 . . 448 65 65 ALA H H 8.028 . . 449 65 65 ALA HA H 4.436 . . 450 65 65 ALA HB H 1.525 . . 451 65 65 ALA CA C 52.350 . . 452 65 65 ALA CB C 18.880 . . 453 65 65 ALA N N 122.297 . . 454 66 66 SER H H 8.182 . . 455 66 66 SER HA H 4.573 . . 456 66 66 SER HB2 H 3.972 . . 457 66 66 SER CA C 58.234 . . 458 66 66 SER CB C 63.590 . . 459 66 66 SER N N 113.618 . . 460 67 67 ILE H H 7.965 . . 461 67 67 ILE HA H 4.272 . . 462 67 67 ILE HB H 1.976 . . 463 67 67 ILE HG12 H 1.621 . . 464 67 67 ILE HG13 H 1.279 . . 465 67 67 ILE HD1 H 0.964 . . 466 67 67 ILE CA C 60.560 . . 467 67 67 ILE CB C 38.370 . . 468 67 67 ILE N N 120.836 . . 469 68 68 ASN H H 8.361 . . 470 68 68 ASN HA H 4.942 . . 471 68 68 ASN HB2 H 3.056 . . 472 68 68 ASN HB3 H 2.864 . . 473 68 68 ASN HD21 H 6.955 . . 474 68 68 ASN HD22 H 7.703 . . 475 68 68 ASN CA C 52.260 . . 476 68 68 ASN CB C 38.200 . . 477 68 68 ASN N N 122.812 . . 478 68 68 ASN ND2 N 112.336 . . 479 69 69 VAL H H 8.522 . . 480 69 69 VAL HA H 4.013 . . 481 69 69 VAL HB H 2.249 . . 482 69 69 VAL HG2 H 1.087 . . 483 69 69 VAL CA C 63.780 . . 484 69 69 VAL CB C 31.586 . . 485 69 69 VAL N N 120.922 . . 486 70 70 SER H H 8.426 . . 487 70 70 SER HA H 4.300 . . 488 70 70 SER HB2 H 4.026 . . 489 70 70 SER N N 116.281 . . 490 71 71 VAL H H 7.721 . . 491 71 71 VAL HA H 4.091 . . 492 71 71 VAL HB H 2.223 . . 493 71 71 VAL HG2 H 1.078 . . 494 71 71 VAL N N 119.763 . . 495 74 74 GLN H H 8.172 . . 496 74 74 GLN HA H 4.723 . . 497 74 74 GLN N N 121.437 . . 498 75 75 PRO HA H 4.395 . . 499 75 75 PRO HB2 H 2.212 . . 500 75 75 PRO HG2 H 3.612 . . 501 75 75 PRO CA C 63.530 . . 502 75 75 PRO CB C 31.593 . . 503 76 76 PHE H H 7.845 . . 504 76 76 PHE HA H 4.655 . . 505 76 76 PHE HB2 H 3.316 . . 506 76 76 PHE HB3 H 3.069 . . 507 76 76 PHE CA C 57.000 . . 508 76 76 PHE CB C 38.788 . . 509 76 76 PHE N N 115.508 . . 510 77 77 ASP H H 8.127 . . 511 77 77 ASP HA H 4.746 . . 512 77 77 ASP HB2 H 2.941 . . 513 77 77 ASP HB3 H 2.785 . . 514 77 77 ASP CA C 52.690 . . 515 77 77 ASP CB C 38.449 . . 516 77 77 ASP N N 118.687 . . 517 78 78 TYR H H 7.882 . . 518 78 78 TYR HA H 4.600 . . 519 78 78 TYR HB2 H 3.028 . . 520 78 78 TYR CA C 57.260 . . 521 78 78 TYR CB C 38.710 . . 522 78 78 TYR N N 120.320 . . 523 79 79 ASP H H 8.211 . . 524 79 79 ASP HA H 4.956 . . 525 79 79 ASP HB2 H 2.905 . . 526 79 79 ASP HB3 H 2.646 . . 527 79 79 ASP CA C 50.390 . . 528 79 79 ASP CB C 40.250 . . 529 79 79 ASP N N 122.898 . . 530 80 80 PRO HA H 4.397 . . 531 80 80 PRO HB2 H 2.468 . . 532 80 80 PRO HB3 H 2.386 . . 533 80 80 PRO HG2 H 2.058 . . 534 80 80 PRO HD2 H 3.876 . . 535 80 80 PRO HD3 H 3.671 . . 536 80 80 PRO CA C 63.443 . . 537 80 80 PRO CB C 31.500 . . 538 81 81 ASN H H 8.413 . . 539 81 81 ASN HA H 4.751 . . 540 81 81 ASN HB2 H 2.933 . . 541 81 81 ASN HB3 H 2.864 . . 542 81 81 ASN HD21 H 7.011 . . 543 81 81 ASN HD22 H 7.810 . . 544 81 81 ASN CA C 53.198 . . 545 81 81 ASN CB C 38.280 . . 546 81 81 ASN N N 116.711 . . 547 81 81 ASN ND2 N 113.870 . . 548 82 82 GLU H H 7.957 . . 549 82 82 GLU HA H 4.313 . . 550 82 82 GLU HB2 H 2.468 . . 551 82 82 GLU HG2 H 2.202 . . 552 82 82 GLU HG3 H 2.104 . . 553 82 82 GLU CA C 56.326 . . 554 82 82 GLU CB C 28.450 . . 555 82 82 GLU N N 120.234 . . 556 83 83 LYS H H 8.251 . . 557 83 83 LYS HA H 4.371 . . 558 83 83 LYS HB2 H 1.862 . . 559 83 83 LYS HB3 H 1.788 . . 560 83 83 LYS HG2 H 1.701 . . 561 83 83 LYS CA C 56.450 . . 562 83 83 LYS CB C 32.010 . . 563 83 83 LYS N N 120.836 . . 564 84 84 SER H H 8.143 . . 565 84 84 SER HA H 4.477 . . 566 84 84 SER HB2 H 3.958 . . 567 84 84 SER CA C 58.256 . . 568 84 84 SER CB C 63.230 . . 569 84 84 SER N N 115.078 . . 570 85 85 LYS H H 8.155 . . 571 85 85 LYS HA H 4.341 . . 572 85 85 LYS HB2 H 1.853 . . 573 85 85 LYS HB3 H 1.785 . . 574 85 85 LYS HG2 H 1.511 . . 575 85 85 LYS HG3 H 1.429 . . 576 85 85 LYS CA C 56.164 . . 577 85 85 LYS CB C 32.270 . . 578 85 85 LYS N N 122.125 . . 579 86 86 HIS H H 8.341 . . 580 86 86 HIS HA H 4.737 . . 581 86 86 HIS HB2 H 3.257 . . 582 86 86 HIS HB3 H 3.196 . . 583 86 86 HIS CA C 54.970 . . 584 86 86 HIS CB C 28.530 . . 585 86 86 HIS N N 118.172 . . 586 87 87 LYS H H 8.334 . . 587 87 87 LYS HA H 4.338 . . 588 87 87 LYS HB2 H 1.812 . . 589 87 87 LYS CA C 56.503 . . 590 87 87 LYS CB C 32.690 . . 591 87 87 LYS N N 122.125 . . 592 88 88 PHE H H 8.411 . . 593 88 88 PHE HA H 4.696 . . 594 88 88 PHE HB2 H 3.236 . . 595 88 88 PHE HB3 H 3.177 . . 596 88 88 PHE CA C 57.682 . . 597 88 88 PHE CB C 39.040 . . 598 88 88 PHE N N 120.578 . . 599 89 89 MET H H 8.343 . . 600 89 89 MET HA H 4.527 . . 601 89 89 MET HB2 H 2.140 . . 602 89 89 MET HG2 H 2.640 . . 603 89 89 MET HG3 H 2.564 . . 604 89 89 MET CA C 55.394 . . 605 89 89 MET CB C 32.600 . . 606 89 89 MET N N 121.867 . . 607 90 90 VAL H H 8.245 . . 608 90 90 VAL HA H 4.026 . . 609 90 90 VAL HB H 2.236 . . 610 90 90 VAL HG2 H 1.087 . . 611 90 90 VAL CA C 63.535 . . 612 90 90 VAL CB C 31.840 . . 613 90 90 VAL N N 120.148 . . 614 91 91 GLN H H 8.598 . . 615 91 91 GLN HA H 4.272 . . 616 91 91 GLN HB2 H 2.240 . . 617 91 91 GLN HB3 H 2.181 . . 618 91 91 GLN HG2 H 2.492 . . 619 91 91 GLN HE21 H 6.905 . . 620 91 91 GLN HE22 H 7.636 . . 621 91 91 GLN CA C 57.000 . . 622 91 91 GLN CB C 28.450 . . 623 91 91 GLN N N 120.234 . . 624 91 91 GLN NE2 N 111.559 . . 625 92 92 SER H H 8.051 . . 626 92 92 SER HA H 4.465 . . 627 92 92 SER HB2 H 3.997 . . 628 92 92 SER HB3 H 3.939 . . 629 92 92 SER CA C 58.960 . . 630 92 92 SER CB C 63.196 . . 631 92 92 SER N N 114.305 . . 632 93 93 MET H H 8.031 . . 633 93 93 MET HA H 4.341 . . 634 93 93 MET HB2 H 1.976 . . 635 93 93 MET HB3 H 1.880 . . 636 93 93 MET HG2 H 2.441 . . 637 93 93 MET CA C 56.157 . . 638 93 93 MET CB C 32.680 . . 639 93 93 MET N N 120.148 . . 640 94 94 PHE H H 7.758 . . 641 94 94 PHE HA H 4.778 . . 642 94 94 PHE HB2 H 3.316 . . 643 94 94 PHE HB3 H 2.998 . . 644 94 94 PHE HE1 H 7.374 . . 645 94 94 PHE CA C 56.418 . . 646 94 94 PHE CB C 39.550 . . 647 94 94 PHE N N 116.281 . . 648 95 95 ALA H H 8.110 . . 649 95 95 ALA HA H 4.715 . . 650 95 95 ALA HB H 1.493 . . 651 95 95 ALA CA C 50.063 . . 652 95 95 ALA CB C 18.030 . . 653 95 95 ALA N N 124.703 . . 654 96 96 PRO HA H 4.600 . . 655 96 96 PRO HB2 H 2.416 . . 656 96 96 PRO HB3 H 2.178 . . 657 96 96 PRO HG2 H 2.102 . . 658 96 96 PRO HD2 H 3.782 . . 659 96 96 PRO HD3 H 3.837 . . 660 96 96 PRO CA C 63.443 . . 661 96 96 PRO CB C 31.330 . . 662 97 97 THR H H 8.033 . . 663 97 97 THR HA H 4.385 . . 664 97 97 THR HG2 H 1.328 . . 665 97 97 THR CA C 62.010 . . 666 97 97 THR CB C 68.957 . . 667 97 97 THR N N 111.126 . . 668 98 98 ASP H H 8.306 . . 669 98 98 ASP HA H 4.821 . . 670 98 98 ASP HB2 H 2.980 . . 671 98 98 ASP CA C 53.790 . . 672 98 98 ASP CB C 38.710 . . 673 98 98 ASP N N 120.836 . . 674 99 99 THR H H 8.224 . . 675 99 99 THR HA H 4.259 . . 676 99 99 THR HG2 H 1.316 . . 677 99 99 THR CA C 63.450 . . 678 99 99 THR CB C 68.450 . . 679 99 99 THR N N 113.703 . . 680 100 100 SER H H 8.345 . . 681 100 100 SER HA H 4.444 . . 682 100 100 SER HB2 H 4.075 . . 683 100 100 SER HB3 H 4.032 . . 684 100 100 SER CA C 59.960 . . 685 100 100 SER CB C 62.680 . . 686 100 100 SER N N 117.828 . . 687 101 101 ASP H H 8.395 . . 688 101 101 ASP HA H 4.715 . . 689 101 101 ASP HB2 H 3.001 . . 690 101 101 ASP HB3 H 2.878 . . 691 101 101 ASP CA C 54.880 . . 692 101 101 ASP CB C 38.195 . . 693 101 101 ASP N N 121.609 . . 694 102 102 MET H H 8.248 . . 695 102 102 MET HA H 4.313 . . 696 102 102 MET HB2 H 2.245 . . 697 102 102 MET HG2 H 2.739 . . 698 102 102 MET HG3 H 2.610 . . 699 102 102 MET HE H 2.140 . . 700 102 102 MET CA C 57.680 . . 701 102 102 MET CB C 32.020 . . 702 102 102 MET N N 118.859 . . 703 103 103 GLU H H 8.282 . . 704 103 103 GLU HA H 4.150 . . 705 103 103 GLU HB2 H 2.261 . . 706 103 103 GLU CA C 58.359 . . 707 103 103 GLU CB C 27.519 . . 708 103 103 GLU N N 118.086 . . 709 104 104 ALA H H 7.903 . . 710 104 104 ALA HA H 4.231 . . 711 104 104 ALA HB H 1.593 . . 712 104 104 ALA CA C 54.215 . . 713 104 104 ALA CB C 17.868 . . 714 104 104 ALA N N 121.093 . . 715 105 105 VAL H H 7.760 . . 716 105 105 VAL HA H 3.880 . . 717 105 105 VAL HB H 2.292 . . 718 105 105 VAL HG1 H 0.990 . . 719 105 105 VAL HG2 H 1.146 . . 720 105 105 VAL CA C 64.970 . . 721 105 105 VAL CB C 31.085 . . 722 105 105 VAL N N 116.969 . . 723 106 106 TRP H H 7.970 . . 724 106 106 TRP HA H 4.546 . . 725 106 106 TRP HB2 H 3.507 . . 726 106 106 TRP HB3 H 3.384 . . 727 106 106 TRP CA C 58.960 . . 728 106 106 TRP CB C 29.306 . . 729 106 106 TRP N N 119.633 . . 730 107 107 LYS H H 7.954 . . 731 107 107 LYS HA H 4.044 . . 732 107 107 LYS HB2 H 1.988 . . 733 107 107 LYS HG2 H 1.674 . . 734 107 107 LYS HD2 H 1.555 . . 735 107 107 LYS CA C 58.020 . . 736 107 107 LYS CB C 32.179 . . 737 107 107 LYS N N 115.938 . . 738 108 108 GLU H H 7.739 . . 739 108 108 GLU HA H 4.397 . . 740 108 108 GLU HB2 H 2.257 . . 741 108 108 GLU HB3 H 2.181 . . 742 108 108 GLU HG2 H 2.591 . . 743 108 108 GLU CA C 55.570 . . 744 108 108 GLU CB C 28.459 . . 745 108 108 GLU N N 116.195 . . 746 109 109 ALA H H 7.820 . . 747 109 109 ALA HA H 4.300 . . 748 109 109 ALA HB H 1.402 . . 749 109 109 ALA CA C 52.259 . . 750 109 109 ALA CB C 18.751 . . 751 109 109 ALA N N 122.554 . . 752 110 110 LYS H H 7.953 . . 753 110 110 LYS HA H 4.559 . . 754 110 110 LYS HB2 H 1.839 . . 755 110 110 LYS HG2 H 1.470 . . 756 110 110 LYS HD2 H 1.716 . . 757 110 110 LYS CA C 53.876 . . 758 110 110 LYS CB C 31.678 . . 759 110 110 LYS N N 118.430 . . 760 111 111 PRO HA H 4.292 . . 761 111 111 PRO HB2 H 2.507 . . 762 111 111 PRO HB3 H 2.258 . . 763 111 111 PRO HD2 H 3.835 . . 764 111 111 PRO HD3 H 3.746 . . 765 111 111 PRO CA C 64.121 . . 766 111 111 PRO CB C 31.332 . . 767 112 112 GLU H H 8.883 . . 768 112 112 GLU HA H 4.177 . . 769 112 112 GLU HB2 H 2.004 . . 770 112 112 GLU HG2 H 2.157 . . 771 112 112 GLU HG3 H 2.113 . . 772 112 112 GLU CA C 57.597 . . 773 112 112 GLU CB C 27.950 . . 774 112 112 GLU N N 117.313 . . 775 113 113 ASP H H 8.136 . . 776 113 113 ASP HA H 4.668 . . 777 113 113 ASP HB2 H 2.951 . . 778 113 113 ASP CA C 53.950 . . 779 113 113 ASP CB C 38.957 . . 780 113 113 ASP N N 118.516 . . 781 114 114 LEU H H 8.006 . . 782 114 114 LEU HA H 4.288 . . 783 114 114 LEU HB2 H 1.867 . . 784 114 114 LEU HB3 H 1.792 . . 785 114 114 LEU HG H 1.687 . . 786 114 114 LEU HD2 H 0.971 . . 787 114 114 LEU CA C 56.079 . . 788 114 114 LEU CB C 41.591 . . 789 114 114 LEU N N 119.719 . . 790 115 115 MET H H 8.063 . . 791 115 115 MET HA H 4.385 . . 792 115 115 MET HB2 H 2.195 . . 793 115 115 MET HG2 H 2.728 . . 794 115 115 MET HG3 H 2.591 . . 795 115 115 MET CA C 56.410 . . 796 115 115 MET CB C 31.848 . . 797 115 115 MET N N 116.625 . . 798 116 116 ASP H H 8.063 . . 799 116 116 ASP HA H 4.762 . . 800 116 116 ASP HB2 H 2.974 . . 801 116 116 ASP CA C 58.450 . . 802 116 116 ASP CB C 38.880 . . 803 116 116 ASP N N 118.258 . . 804 117 117 SER H H 8.225 . . 805 117 117 SER HA H 4.218 . . 806 117 117 SER HB2 H 4.095 . . 807 117 117 SER CA C 63.110 . . 808 117 117 SER CB C 68.788 . . 809 117 117 SER N N 112.500 . . 810 118 118 LYS H H 8.738 . . 811 118 118 LYS HA H 4.350 . . 812 118 118 LYS HB2 H 2.044 . . 813 118 118 LYS HB3 H 1.946 . . 814 118 118 LYS HG2 H 1.830 . . 815 118 118 LYS HD2 H 1.716 . . 816 118 118 LYS CA C 58.197 . . 817 118 118 LYS CB C 31.840 . . 818 118 118 LYS N N 122.382 . . 819 119 119 LEU H H 8.223 . . 820 119 119 LEU HA H 4.186 . . 821 119 119 LEU HB2 H 1.901 . . 822 119 119 LEU HB3 H 1.848 . . 823 119 119 LEU HG H 1.670 . . 824 119 119 LEU HD1 H 1.045 . . 825 119 119 LEU HD2 H 0.971 . . 826 119 119 LEU CA C 56.834 . . 827 119 119 LEU CB C 41.070 . . 828 119 119 LEU N N 117.828 . . 829 120 120 ARG H H 8.099 . . 830 120 120 ARG HA H 4.091 . . 831 120 120 ARG CA C 59.546 . . 832 120 120 ARG CB C 29.120 . . 833 120 120 ARG N N 119.031 . . 834 121 121 CYS H H 7.970 . . 835 121 121 CYS HA H 4.395 . . 836 121 121 CYS HB2 H 3.206 . . 837 121 121 CYS CA C 61.417 . . 838 121 121 CYS CB C 26.250 . . 839 121 121 CYS N N 116.539 . . 840 122 122 VAL H H 7.809 . . 841 122 122 VAL HA H 3.762 . . 842 122 122 VAL HB H 2.318 . . 843 122 122 VAL HG1 H 0.989 . . 844 122 122 VAL HG2 H 1.147 . . 845 122 122 VAL CA C 65.900 . . 846 122 122 VAL CB C 30.910 . . 847 122 122 VAL N N 119.891 . . 848 123 123 PHE H H 8.104 . . 849 123 123 PHE HA H 4.293 . . 850 123 123 PHE HB2 H 3.369 . . 851 123 123 PHE HB3 H 3.240 . . 852 123 123 PHE CA C 60.993 . . 853 123 123 PHE CB C 38.202 . . 854 123 123 PHE N N 119.203 . . 855 124 124 GLU H H 8.394 . . 856 124 124 GLU HA H 4.054 . . 857 124 124 GLU HB2 H 2.304 . . 858 124 124 GLU HG2 H 2.195 . . 859 124 124 GLU CA C 58.620 . . 860 124 124 GLU CB C 27.950 . . 861 124 124 GLU N N 117.570 . . 862 125 125 LEU H H 7.872 . . 863 125 125 LEU HA H 4.233 . . 864 125 125 LEU HB2 H 2.072 . . 865 125 125 LEU HG H 1.798 . . 866 125 125 LEU HD1 H 1.046 . . 867 125 125 LEU HD2 H 0.971 . . 868 125 125 LEU CA C 57.604 . . 869 125 125 LEU CB C 41.500 . . 870 125 125 LEU N N 120.062 . . stop_ save_