data_18552 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TM4-Cx43CT ; _BMRB_accession_number 18552 _BMRB_flat_file_name bmr18552.str _Entry_type original _Submission_date 2012-06-27 _Accession_date 2012-06-27 _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 Grosely Rosslyn . . 2 Kieken Fabien . . 3 Sorgen Paul L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 630 "13C chemical shifts" 413 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2013-02-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N backbone resonance assignments of the connexin43 carboxyl terminal domain attached to the 4th transmembrane domain in detergent micelles.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23065337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grosely Rosslyn . . 2 Kieken Fabien . . 3 Sorgen Paul L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 303 _Year 2013 _Details . loop_ _Keyword connexin43 'gap junction' 'intrinsically disordered proteins' 'LPPG detergent micelles' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TM4-Cx43CT monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TM4-Cx43CT monomer' $TM4-Cx43CT 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_TM4-Cx43CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TM4-Cx43CT _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MDCFLSRPTEKTIFIIFMLV VSLVSLALNIIELFYVFFKG VKDRVKGRSDPYHATTGPLS PSKDCGSPKYAYFNGCSSPT APLSPMSPPGYKLVTGDRNN SSCRNYNKQASEQNWANYSA EQNRMGQAGSTISNSHAQPF DFPDDNQNAKKVAAGHELQP LAIVDQRPSSRASSRASSRP RPDDLEI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ASP 23 CYS 24 PHE 25 LEU 26 SER 27 ARG 28 PRO 29 THR 30 GLU 31 LYS 32 THR 33 ILE 34 PHE 35 ILE 36 ILE 37 PHE 38 MET 39 LEU 40 VAL 41 VAL 42 SER 43 LEU 44 VAL 45 SER 46 LEU 47 ALA 48 LEU 49 ASN 50 ILE 51 ILE 52 GLU 53 LEU 54 PHE 55 TYR 56 VAL 57 PHE 58 PHE 59 LYS 60 GLY 61 VAL 62 LYS 63 ASP 64 ARG 65 VAL 66 LYS 67 GLY 68 ARG 69 SER 70 ASP 71 PRO 72 TYR 73 HIS 74 ALA 75 THR 76 THR 77 GLY 78 PRO 79 LEU 80 SER 81 PRO 82 SER 83 LYS 84 ASP 85 CYS 86 GLY 87 SER 88 PRO 89 LYS 90 TYR 91 ALA 92 TYR 93 PHE 94 ASN 95 GLY 96 CYS 97 SER 98 SER 99 PRO 100 THR 101 ALA 102 PRO 103 LEU 104 SER 105 PRO 106 MET 107 SER 108 PRO 109 PRO 110 GLY 111 TYR 112 LYS 113 LEU 114 VAL 115 THR 116 GLY 117 ASP 118 ARG 119 ASN 120 ASN 121 SER 122 SER 123 CYS 124 ARG 125 ASN 126 TYR 127 ASN 128 LYS 129 GLN 130 ALA 131 SER 132 GLU 133 GLN 134 ASN 135 TRP 136 ALA 137 ASN 138 TYR 139 SER 140 ALA 141 GLU 142 GLN 143 ASN 144 ARG 145 MET 146 GLY 147 GLN 148 ALA 149 GLY 150 SER 151 THR 152 ILE 153 SER 154 ASN 155 SER 156 HIS 157 ALA 158 GLN 159 PRO 160 PHE 161 ASP 162 PHE 163 PRO 164 ASP 165 ASP 166 ASN 167 GLN 168 ASN 169 ALA 170 LYS 171 LYS 172 VAL 173 ALA 174 ALA 175 GLY 176 HIS 177 GLU 178 LEU 179 GLN 180 PRO 181 LEU 182 ALA 183 ILE 184 VAL 185 ASP 186 GLN 187 ARG 188 PRO 189 SER 190 SER 191 ARG 192 ALA 193 SER 194 SER 195 ARG 196 ALA 197 SER 198 SER 199 ARG 200 PRO 201 ARG 202 PRO 203 ASP 204 ASP 205 LEU 206 GLU 207 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 1R5S "Connexin 43 Carboxyl Terminal Domain" 63.77 132 99.24 99.24 1.51e-87 DBJ BAC26375 "unnamed protein product [Mus musculus]" 90.82 382 98.40 99.47 4.07e-132 DBJ BAC29656 "unnamed protein product [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 DBJ BAC38285 "unnamed protein product [Mus musculus]" 52.17 108 99.07 100.00 3.83e-70 DBJ BAE26592 "unnamed protein product [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 DBJ BAE38502 "unnamed protein product [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 EMBL CAA29855 "unnamed protein product [Rattus norvegicus]" 90.82 382 98.94 99.47 8.12e-133 EMBL CAA43778 "connexin 43 [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 EMBL CAA44640 "Connexin 43 [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 EMBL CAC21170 "connexin 43 [Sus scrofa]" 57.00 125 97.46 99.15 6.38e-79 EMBL CAJ18535 "Npm1 [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 GB AAA37444 "connexin 43 [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 GB AAH06894 "Gap junction protein, alpha 1 [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 GB AAH55375 "Gja1 protein [Mus musculus]" 90.82 434 98.40 99.47 1.52e-131 GB AAH81842 "Gap junction protein, alpha 1 [Rattus norvegicus]" 90.82 382 98.94 99.47 8.12e-133 GB AAM34255 "connexin 47 [Mesocricetus auratus]" 58.94 160 97.54 99.18 8.58e-82 PRF 1404339A "connexin 43" 90.82 382 98.94 99.47 8.12e-133 PRF 1714172A "connexin 43" 90.82 382 98.94 99.47 8.76e-133 REF NP_001002951 "gap junction alpha-1 protein [Canis lupus familiaris]" 90.82 382 97.34 99.47 1.13e-117 REF NP_001185877 "gap junction alpha-1 protein [Oryctolagus cuniculus]" 90.82 382 97.34 99.47 1.24e-117 REF NP_001231004 "gap junction alpha-1 protein [Cricetulus griseus]" 90.82 382 98.40 99.47 3.07e-132 REF NP_001268545 "gap junction alpha-1 protein [Mesocricetus auratus]" 90.82 382 97.87 99.47 6.29e-132 REF NP_034418 "gap junction alpha-1 protein [Mus musculus]" 90.82 382 98.40 99.47 4.54e-132 SP P08050 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43; AltName: Full=Gap junction 43 kDa heart prot" 90.82 382 98.94 99.47 8.12e-133 SP P23242 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43; AltName: Full=Gap junction 43 kDa heart prot" 90.82 382 98.40 99.47 4.54e-132 SP Q6TYA7 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43" 90.82 382 97.34 99.47 1.24e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TM4-Cx43CT Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $TM4-Cx43CT 'recombinant technology' . Escherichia coli DE3 C41 pET-14 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 $TM4-Cx43CT 0.850 mM '[U-13C; U-15N]' MES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' LPPG 8 % 'natural abundance' TFE 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm . . direct . . . 0.251449530 water H 1 protons ppm . . direct . . . 1.0 water N 15 protons ppm . . direct . . . 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' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'TM4-Cx43CT monomer' _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 12 12 SER H H 8.3430 0.05 1 2 12 12 SER HA H 4.5390 0.05 1 3 12 12 SER HB2 H 3.9010 0.05 2 4 12 12 SER HB3 H 3.9010 0.05 2 5 12 12 SER C C 172.0580 0.3 1 6 12 12 SER CA C 55.9260 0.3 1 7 12 12 SER CB C 61.1110 0.3 1 8 12 12 SER N N 117.4950 0.3 1 9 13 13 GLY H H 8.2860 0.05 1 10 13 13 GLY HA2 H 3.9570 0.05 2 11 13 13 GLY HA3 H 3.9570 0.05 2 12 13 13 GLY C C 170.9480 0.3 1 13 13 13 GLY CA C 42.3900 0.3 1 14 13 13 GLY N N 110.0250 0.3 1 15 14 14 LEU H H 7.9660 0.05 1 16 14 14 LEU HA H 4.1110 0.05 1 17 14 14 LEU HB2 H 1.5810 0.05 2 18 14 14 LEU HB3 H 1.5810 0.05 2 19 14 14 LEU HG H 1.5810 0.05 1 20 14 14 LEU HD1 H 0.8430 0.05 2 21 14 14 LEU HD2 H 0.8430 0.05 2 22 14 14 LEU C C 173.6590 0.3 1 23 14 14 LEU CA C 52.9500 0.3 1 24 14 14 LEU CB C 39.7510 0.3 1 25 14 14 LEU N N 120.8310 0.3 1 26 15 15 VAL H H 7.6050 0.05 1 27 15 15 VAL HA H 4.3310 0.05 1 28 15 15 VAL HB H 2.0320 0.05 1 29 15 15 VAL HG1 H 0.8940 0.05 2 30 15 15 VAL HG2 H 0.8940 0.05 2 31 15 15 VAL C C 171.6300 0.3 1 32 15 15 VAL CA C 56.8520 0.3 1 33 15 15 VAL CB C 29.9000 0.3 1 34 15 15 VAL N N 117.9320 0.3 1 35 17 17 ARG H H 8.2780 0.05 1 36 17 17 ARG HA H 4.3040 0.05 1 37 17 17 ARG HB2 H 1.7090 0.05 2 38 17 17 ARG HB3 H 1.7090 0.05 2 39 17 17 ARG HG2 H 1.7090 0.05 2 40 17 17 ARG HG3 H 1.7090 0.05 2 41 17 17 ARG HD2 H 3.1780 0.05 2 42 17 17 ARG HD3 H 3.1780 0.05 2 43 17 17 ARG C C 174.2080 0.3 1 44 17 17 ARG CA C 53.4200 0.3 1 45 17 17 ARG CB C 28.0830 0.3 1 46 17 17 ARG N N 121.4070 0.3 1 47 18 18 GLY H H 8.5290 0.05 1 48 18 18 GLY HA2 H 4.0090 0.05 2 49 18 18 GLY HA3 H 4.0130 0.05 2 50 18 18 GLY C C 171.5410 0.3 1 51 18 18 GLY CA C 42.5080 0.3 1 52 18 18 GLY N N 110.0390 0.3 1 53 26 26 SER H H 7.7560 0.05 1 54 26 26 SER N N 115.7950 0.3 1 55 67 67 GLY CA C 42.9140 0.3 1 56 68 68 ARG H H 7.8350 0.05 1 57 68 68 ARG HA H 4.3100 0.05 1 58 68 68 ARG HB2 H 1.8650 0.05 2 59 68 68 ARG HB3 H 1.7830 0.05 2 60 68 68 ARG HD2 H 3.1330 0.05 2 61 68 68 ARG HD3 H 3.1330 0.05 2 62 68 68 ARG C C 173.5290 0.3 1 63 68 68 ARG CA C 53.5060 0.3 1 64 68 68 ARG CB C 27.8630 0.3 1 65 68 68 ARG N N 119.5660 0.3 1 66 69 69 SER H H 8.0840 0.05 1 67 69 69 SER HA H 4.4460 0.05 1 68 69 69 SER HB2 H 3.8170 0.05 2 69 69 69 SER HB3 H 3.8170 0.05 2 70 69 69 SER C C 170.8860 0.3 1 71 69 69 SER CA C 55.5970 0.3 1 72 69 69 SER CB C 61.0890 0.3 1 73 69 69 SER N N 115.6330 0.3 1 74 70 70 ASP H H 8.1270 0.05 1 75 70 70 ASP HA H 4.8790 0.05 1 76 70 70 ASP HB2 H 2.7590 0.05 2 77 70 70 ASP HB3 H 2.6100 0.05 2 78 70 70 ASP C C 172.2530 0.3 1 79 70 70 ASP CA C 49.2230 0.3 1 80 70 70 ASP CB C 38.5590 0.3 1 81 70 70 ASP N N 122.3540 0.3 1 82 71 71 PRO CA C 60.8760 0.3 1 83 71 71 PRO CB C 28.9740 0.3 1 84 72 72 TYR H H 8.0140 0.05 1 85 72 72 TYR HA H 4.4270 0.05 1 86 72 72 TYR HB2 H 2.9910 0.05 2 87 72 72 TYR HB3 H 2.8300 0.05 2 88 72 72 TYR HD1 H 7.8300 0.05 3 89 72 72 TYR HD2 H 7.8300 0.05 3 90 72 72 TYR HE1 H 6.7790 0.05 3 91 72 72 TYR HE2 H 6.7790 0.05 3 92 72 72 TYR C C 173.1150 0.3 1 93 72 72 TYR CA C 55.5400 0.3 1 94 72 72 TYR CB C 35.1820 0.3 1 95 72 72 TYR N N 117.8330 0.3 1 96 73 73 HIS H H 7.8220 0.05 1 97 73 73 HIS HA H 4.5700 0.05 1 98 73 73 HIS HB2 H 3.0750 0.05 2 99 73 73 HIS HB3 H 3.2580 0.05 2 100 73 73 HIS HD1 H 8.1140 0.05 1 101 73 73 HIS HD2 H 7.7930 0.05 1 102 73 73 HIS HE1 H 8.1140 0.05 1 103 73 73 HIS HE2 H 7.7930 0.05 1 104 73 73 HIS C C 171.1680 0.3 1 105 73 73 HIS CA C 52.9420 0.3 1 106 73 73 HIS CB C 26.3180 0.3 1 107 73 73 HIS N N 118.6840 0.3 1 108 74 74 ALA H H 8.1400 0.05 1 109 74 74 ALA HA H 4.3410 0.05 1 110 74 74 ALA HB H 1.3710 0.05 1 111 74 74 ALA C C 175.0710 0.3 1 112 74 74 ALA CA C 49.9340 0.3 1 113 74 74 ALA CB C 16.4930 0.3 1 114 74 74 ALA N N 124.5120 0.3 1 115 75 75 THR H H 8.1040 0.05 1 116 75 75 THR HA H 4.4000 0.05 1 117 75 75 THR HB H 4.2380 0.05 1 118 75 75 THR HG2 H 1.1780 0.05 1 119 75 75 THR C C 171.9070 0.3 1 120 75 75 THR CA C 58.9070 0.3 1 121 75 75 THR CB C 67.0160 0.3 1 122 75 75 THR N N 112.6350 0.3 1 123 76 76 THR H H 7.9470 0.05 1 124 76 76 THR HA H 4.4020 0.05 1 125 76 76 THR HB H 4.2320 0.05 1 126 76 76 THR HG2 H 1.1840 0.05 1 127 76 76 THR C C 171.8680 0.3 1 128 76 76 THR CA C 58.8170 0.3 1 129 76 76 THR CB C 67.1070 0.3 1 130 76 76 THR N N 114.6820 0.3 1 131 77 77 GLY H H 8.1240 0.05 1 132 77 77 GLY HA2 H 4.0770 0.05 2 133 77 77 GLY HA3 H 4.0770 0.05 2 134 77 77 GLY C C 169.3700 0.3 1 135 77 77 GLY CA C 41.9400 0.3 1 136 77 77 GLY N N 110.6410 0.3 1 137 78 78 PRO CA C 60.1840 0.3 1 138 78 78 PRO CB C 28.9190 0.3 1 139 79 79 LEU H H 7.8690 0.05 1 140 79 79 LEU HA H 4.3260 0.05 1 141 79 79 LEU HB2 H 1.5770 0.05 2 142 79 79 LEU HB3 H 1.5770 0.05 2 143 79 79 LEU HG H 1.5770 0.05 1 144 79 79 LEU HD1 H 0.8910 0.05 2 145 79 79 LEU HD2 H 0.8910 0.05 2 146 79 79 LEU C C 173.4440 0.3 1 147 79 79 LEU CA C 51.9800 0.3 1 148 79 79 LEU CB C 39.5980 0.3 1 149 79 79 LEU N N 119.8870 0.3 1 150 80 80 SER H H 8.0310 0.05 1 151 80 80 SER HA H 4.7170 0.05 1 152 80 80 SER HB2 H 3.8150 0.05 2 153 80 80 SER HB3 H 3.8150 0.05 2 154 80 80 SER C C 172.0820 0.3 1 155 80 80 SER CA C 53.3930 0.3 1 156 80 80 SER CB C 60.9130 0.3 1 157 80 80 SER N N 116.3600 0.3 1 158 81 81 PRO CA C 60.8735 0.3 1 159 81 81 PRO CB C 28.9610 0.3 1 160 82 82 SER H H 8.2060 0.05 1 161 82 82 SER HA H 4.4520 0.05 1 162 82 82 SER HB2 H 3.8990 0.05 2 163 82 82 SER HB3 H 3.8990 0.05 2 164 82 82 SER C C 172.0040 0.3 1 165 82 82 SER CA C 55.8620 0.3 1 166 82 82 SER CB C 60.8160 0.3 1 167 82 82 SER N N 114.4700 0.3 1 168 83 83 LYS H H 8.1980 0.05 1 169 83 83 LYS HA H 4.2900 0.05 1 170 83 83 LYS HB2 H 1.7630 0.05 2 171 83 83 LYS HB3 H 1.7630 0.05 2 172 83 83 LYS HG2 H 1.4140 0.05 2 173 83 83 LYS HG3 H 1.4140 0.05 2 174 83 83 LYS HD2 H 1.7630 0.05 2 175 83 83 LYS HD3 H 1.7630 0.05 2 176 83 83 LYS HZ H 7.8420 0.05 1 177 83 83 LYS C C 173.3900 0.3 1 178 83 83 LYS CA C 53.6730 0.3 1 179 83 83 LYS CB C 30.0280 0.3 1 180 83 83 LYS N N 122.6880 0.3 1 181 84 84 ASP H H 8.2100 0.05 1 182 84 84 ASP HA H 4.5430 0.05 1 183 84 84 ASP HB2 H 2.6130 0.05 2 184 84 84 ASP HB3 H 2.6130 0.05 2 185 84 84 ASP C C 173.5060 0.3 1 186 84 84 ASP CA C 51.3400 0.3 1 187 84 84 ASP CB C 38.1260 0.3 1 188 84 84 ASP N N 120.5680 0.3 1 189 85 85 CYS H H 8.1410 0.05 1 190 85 85 CYS HA H 4.5880 0.05 1 191 85 85 CYS HB2 H 2.9240 0.05 2 192 85 85 CYS C C 172.1860 0.3 1 193 85 85 CYS CA C 55.8270 0.3 1 194 85 85 CYS CB C 25.2150 0.3 1 195 85 85 CYS N N 118.9990 0.3 1 196 86 86 GLY H H 8.3840 0.05 1 197 86 86 GLY HA2 H 3.9460 0.05 2 198 86 86 GLY HA3 H 3.9460 0.05 2 199 86 86 GLY C C 170.9180 0.3 1 200 86 86 GLY CA C 42.3500 0.3 1 201 86 86 GLY N N 110.5160 0.3 1 202 87 87 SER H H 7.9490 0.05 1 203 87 87 SER HA H 4.6240 0.05 1 204 87 87 SER HB2 H 3.8130 0.05 2 205 87 87 SER HB3 H 3.8130 0.05 2 206 87 87 SER C C 170.2300 0.3 1 207 87 87 SER CA C 53.3390 0.3 1 208 87 87 SER CB C 60.6330 0.3 1 209 87 87 SER N N 116.1980 0.3 1 210 88 88 PRO CA C 60.5910 0.3 1 211 88 88 PRO CB C 29.4330 0.3 1 212 89 89 LYS H H 8.0830 0.05 1 213 89 89 LYS HA H 4.0880 0.05 1 214 89 89 LYS HB2 H 1.9400 0.05 2 215 89 89 LYS HG2 H 1.2020 0.05 2 216 89 89 LYS HG3 H 1.2020 0.05 2 217 89 89 LYS HD2 H 1.5960 0.05 2 218 89 89 LYS HD3 H 1.5960 0.05 2 219 89 89 LYS HE2 H 2.6630 0.05 2 220 89 89 LYS HZ H 7.7610 0.05 1 221 89 89 LYS C C 173.5720 0.3 1 222 89 89 LYS CA C 54.1990 0.3 1 223 89 89 LYS CB C 29.7460 0.3 1 224 89 89 LYS N N 119.9700 0.3 1 225 90 90 TYR H H 7.6540 0.05 1 226 90 90 TYR HA H 4.4670 0.05 1 227 90 90 TYR HB2 H 2.9910 0.05 2 228 90 90 TYR HB3 H 2.8600 0.05 2 229 90 90 TYR HD1 H 7.0350 0.05 3 230 90 90 TYR HD2 H 7.0350 0.05 3 231 90 90 TYR HE1 H 6.6350 0.05 3 232 90 90 TYR HE2 H 6.6350 0.05 3 233 90 90 TYR C C 172.9360 0.3 1 234 90 90 TYR CA C 54.7580 0.3 1 235 90 90 TYR CB C 35.7370 0.3 1 236 90 90 TYR N N 118.1330 0.3 1 237 91 91 ALA H H 7.8520 0.05 1 238 91 91 ALA HA H 4.1770 0.05 1 239 91 91 ALA HB H 1.2080 0.05 1 240 91 91 ALA C C 174.4880 0.3 1 241 91 91 ALA CA C 50.0250 0.3 1 242 91 91 ALA CB C 16.1900 0.3 1 243 91 91 ALA N N 123.6390 0.3 1 244 92 92 TYR H H 7.6390 0.05 1 245 92 92 TYR HA H 4.3700 0.05 1 246 92 92 TYR HB2 H 2.8020 0.05 2 247 92 92 TYR HB3 H 2.8020 0.05 2 248 92 92 TYR HD1 H 6.9070 0.05 3 249 92 92 TYR HD2 H 6.9070 0.05 3 250 92 92 TYR HE1 H 6.4750 0.05 3 251 92 92 TYR HE2 H 6.4750 0.05 3 252 92 92 TYR C C 172.9740 0.3 1 253 92 92 TYR CA C 55.4810 0.3 1 254 92 92 TYR CB C 35.9390 0.3 1 255 92 92 TYR N N 117.5200 0.3 1 256 93 93 PHE H H 7.8070 0.05 1 257 93 93 PHE HA H 4.5440 0.05 1 258 93 93 PHE HB2 H 3.1340 0.05 2 259 93 93 PHE HB3 H 2.9710 0.05 2 260 93 93 PHE C C 172.6550 0.3 1 261 93 93 PHE CA C 55.2130 0.3 1 262 93 93 PHE CB C 36.4090 0.3 1 263 93 93 PHE N N 119.1960 0.3 1 264 94 94 ASN H H 8.1020 0.05 1 265 94 94 ASN HB2 H 2.7060 0.05 2 266 94 94 ASN HB3 H 2.7060 0.05 2 267 94 94 ASN HD21 H 7.6440 0.05 2 268 94 94 ASN HD22 H 7.1030 0.05 2 269 94 94 ASN C C 172.7790 0.3 1 270 94 94 ASN CA C 50.5240 0.3 1 271 94 94 ASN CB C 36.1720 0.3 1 272 94 94 ASN N N 119.6210 0.3 1 273 95 95 GLY H H 7.8400 0.05 1 274 95 95 GLY HA2 H 3.8830 0.05 2 275 95 95 GLY HA3 H 3.8830 0.05 2 276 95 95 GLY C C 171.3020 0.3 1 277 95 95 GLY CA C 42.7650 0.3 1 278 95 95 GLY N N 108.1200 0.3 1 279 96 96 CYS H H 8.0090 0.05 1 280 96 96 CYS HA H 4.5050 0.05 1 281 96 96 CYS HB2 H 2.9040 0.05 2 282 96 96 CYS C C 171.6340 0.3 1 283 96 96 CYS CA C 55.5330 0.3 1 284 96 96 CYS CB C 25.3450 0.3 1 285 96 96 CYS N N 118.1070 0.3 1 286 97 97 SER H H 8.2450 0.05 1 287 97 97 SER HA H 4.4950 0.05 1 288 97 97 SER HB2 H 3.8230 0.05 2 289 97 97 SER HB3 H 3.8230 0.05 2 290 97 97 SER C C 171.0880 0.3 1 291 97 97 SER CA C 55.7750 0.3 1 292 97 97 SER CB C 61.0850 0.3 1 293 97 97 SER N N 117.3970 0.3 1 294 98 98 SER H H 8.0690 0.05 1 295 98 98 SER HA H 4.6430 0.05 1 296 98 98 SER HB2 H 3.8120 0.05 2 297 98 98 SER HB3 H 3.8120 0.05 2 298 98 98 SER C C 170.3400 0.3 1 299 98 98 SER CA C 53.2940 0.3 1 300 98 98 SER CB C 60.8710 0.3 1 301 98 98 SER N N 117.6540 0.3 1 302 99 99 PRO CA C 60.7070 0.3 1 303 99 99 PRO CB C 29.0840 0.3 1 304 100 100 THR H H 7.8820 0.05 1 305 100 100 THR HA H 4.2790 0.05 1 306 100 100 THR HB H 4.2070 0.05 1 307 100 100 THR HG2 H 1.1450 0.05 1 308 100 100 THR C C 171.1440 0.3 1 309 100 100 THR CA C 58.6400 0.3 1 310 100 100 THR CB C 66.9690 0.3 1 311 100 100 THR N N 111.6220 0.3 1 312 101 101 ALA H H 7.9350 0.05 1 313 101 101 ALA HA H 4.5410 0.05 1 314 101 101 ALA HB H 1.3510 0.05 1 315 101 101 ALA C C 172.7300 0.3 1 316 101 101 ALA CA C 47.9490 0.3 1 317 101 101 ALA CB C 15.6370 0.3 1 318 101 101 ALA N N 126.5820 0.3 1 319 102 102 PRO CA C 60.5210 0.3 1 320 102 102 PRO CB C 29.2100 0.3 1 321 103 103 LEU H H 8.1040 0.05 1 322 103 103 LEU HA H 4.3460 0.05 1 323 103 103 LEU HB2 H 1.5900 0.05 2 324 103 103 LEU HB3 H 1.5900 0.05 2 325 103 103 LEU HG H 1.5900 0.05 1 326 103 103 LEU HD1 H 0.8330 0.05 2 327 103 103 LEU HD2 H 0.8330 0.05 2 328 103 103 LEU C C 174.0620 0.3 1 329 103 103 LEU CA C 51.9370 0.3 1 330 103 103 LEU CB C 39.3230 0.3 1 331 103 103 LEU N N 120.4080 0.3 1 332 104 104 SER H H 7.9610 0.05 1 333 104 104 SER HA H 4.6240 0.05 1 334 104 104 SER HB2 H 3.8070 0.05 2 335 104 104 SER HB3 H 3.8070 0.05 2 336 104 104 SER C C 170.1800 0.3 1 337 104 104 SER CA C 53.3230 0.3 1 338 104 104 SER CB C 60.7090 0.3 1 339 104 104 SER N N 116.6350 0.3 1 340 105 105 PRO CA C 60.8730 0.3 1 341 105 105 PRO CB C 28.9320 0.3 1 342 106 106 MET H H 8.0090 0.05 1 343 106 106 MET HA H 4.2570 0.05 1 344 106 106 MET HB2 H 2.0570 0.05 2 345 106 106 MET HB3 H 1.9370 0.05 2 346 106 106 MET HG2 H 2.4900 0.05 2 347 106 106 MET HG3 H 2.4900 0.05 2 348 106 106 MET C C 172.7670 0.3 1 349 106 106 MET CA C 52.5090 0.3 1 350 106 106 MET CB C 30.2210 0.3 1 351 106 106 MET N N 118.1070 0.3 1 352 107 107 SER H H 7.9510 0.05 1 353 107 107 SER HA H 4.6480 0.05 1 354 107 107 SER HB2 H 3.7510 0.05 2 355 107 107 SER HB3 H 3.7510 0.05 2 356 107 107 SER C C 170.1800 0.3 1 357 107 107 SER CA C 53.2930 0.3 1 358 107 107 SER CB C 60.7150 0.3 1 359 107 107 SER N N 116.7590 0.3 1 360 109 109 PRO CA C 60.7520 0.3 1 361 109 109 PRO CB C 28.5840 0.3 1 362 110 110 GLY H H 8.2700 0.05 1 363 110 110 GLY HA2 H 3.9600 0.05 2 364 110 110 GLY HA3 H 3.9600 0.05 2 365 110 110 GLY C C 171.6600 0.3 1 366 110 110 GLY CA C 42.6590 0.3 1 367 110 110 GLY N N 107.7660 0.3 1 368 111 111 TYR H H 7.7630 0.05 1 369 111 111 TYR HA H 4.3450 0.05 1 370 111 111 TYR HB2 H 2.9760 0.05 2 371 111 111 TYR HB3 H 2.9760 0.05 2 372 111 111 TYR HD1 H 7.0210 0.05 3 373 111 111 TYR HD2 H 7.0210 0.05 3 374 111 111 TYR HE1 H 6.7680 0.05 3 375 111 111 TYR HE2 H 6.7680 0.05 3 376 111 111 TYR C C 173.6830 0.3 1 377 111 111 TYR CA C 56.2930 0.3 1 378 111 111 TYR CB C 35.7740 0.3 1 379 111 111 TYR N N 119.5560 0.3 1 380 112 112 LYS H H 8.1440 0.05 1 381 112 112 LYS HA H 4.4220 0.05 1 382 112 112 LYS C C 173.7910 0.3 1 383 112 112 LYS CA C 53.3590 0.3 1 384 112 112 LYS CB C 29.7740 0.3 1 385 112 112 LYS N N 119.4750 0.3 1 386 113 113 LEU H H 7.7880 0.05 1 387 113 113 LEU HA H 4.2210 0.05 1 388 113 113 LEU HB2 H 1.6160 0.05 2 389 113 113 LEU HB3 H 1.6160 0.05 2 390 113 113 LEU HG H 1.6160 0.05 1 391 113 113 LEU HD1 H 0.8580 0.05 2 392 113 113 LEU HD2 H 0.8580 0.05 2 393 113 113 LEU C C 174.7080 0.3 1 394 113 113 LEU CA C 53.4410 0.3 1 395 113 113 LEU CB C 39.4530 0.3 1 396 113 113 LEU N N 120.8130 0.3 1 397 114 114 VAL H H 7.7270 0.05 1 398 114 114 VAL HA H 4.1120 0.05 1 399 114 114 VAL HB H 2.1220 0.05 1 400 114 114 VAL HG1 H 0.8960 0.05 2 401 114 114 VAL HG2 H 0.8910 0.05 2 402 114 114 VAL C C 173.5800 0.3 1 403 114 114 VAL CA C 60.0570 0.3 1 404 114 114 VAL CB C 29.6860 0.3 1 405 114 114 VAL N N 117.2100 0.3 1 406 115 115 THR H H 7.8160 0.05 1 407 115 115 THR HA H 4.3200 0.05 1 408 115 115 THR HB H 4.2710 0.05 1 409 115 115 THR C C 172.5430 0.3 1 410 115 115 THR CA C 59.1680 0.3 1 411 115 115 THR CB C 67.0850 0.3 1 412 115 115 THR N N 113.3300 0.3 1 413 116 116 GLY H H 8.0450 0.05 1 414 116 116 GLY HA2 H 3.9420 0.05 2 415 116 116 GLY HA3 H 3.9420 0.05 2 416 116 116 GLY C C 171.0430 0.3 1 417 116 116 GLY CA C 42.6250 0.3 1 418 116 116 GLY N N 110.0960 0.3 1 419 117 117 ASP H H 8.1730 0.05 1 420 117 117 ASP HA H 4.5870 0.05 1 421 117 117 ASP HB2 H 2.6090 0.05 2 422 117 117 ASP HB3 H 2.6090 0.05 2 423 117 117 ASP C C 173.8710 0.3 1 424 117 117 ASP CA C 51.4400 0.3 1 425 117 117 ASP CB C 38.2580 0.3 1 426 117 117 ASP N N 120.3200 0.3 1 427 118 118 ARG H H 8.2320 0.05 1 428 118 118 ARG HA H 4.2500 0.05 1 429 118 118 ARG HB2 H 1.7570 0.05 2 430 118 118 ARG HB3 H 1.7570 0.05 2 431 118 118 ARG HG2 H 1.7570 0.05 2 432 118 118 ARG HG3 H 1.7570 0.05 2 433 118 118 ARG C C 173.6380 0.3 1 434 118 118 ARG CA C 53.6580 0.3 1 435 118 118 ARG CB C 27.5100 0.3 1 436 118 118 ARG N N 121.1410 0.3 1 437 119 119 ASN H H 8.3630 0.05 1 438 119 119 ASN HA H 4.5770 0.05 1 439 119 119 ASN HB2 H 2.7180 0.05 2 440 119 119 ASN HB3 H 2.7180 0.05 2 441 119 119 ASN C C 172.3930 0.3 1 442 119 119 ASN CA C 50.7160 0.3 1 443 119 119 ASN CB C 35.9250 0.3 1 444 119 119 ASN N N 118.3630 0.3 1 445 120 120 ASN H H 8.2020 0.05 1 446 120 120 ASN HA H 4.7050 0.05 1 447 120 120 ASN HB2 H 2.7990 0.05 2 448 120 120 ASN HB3 H 2.7990 0.05 2 449 120 120 ASN C C 172.8280 0.3 1 450 120 120 ASN CA C 50.5840 0.3 1 451 120 120 ASN CB C 35.8500 0.3 1 452 120 120 ASN N N 118.9530 0.3 1 453 121 121 SER H H 8.2630 0.05 1 454 121 121 SER HA H 4.4620 0.05 1 455 121 121 SER HB2 H 3.8790 0.05 2 456 121 121 SER HB3 H 3.8790 0.05 2 457 121 121 SER C C 174.0210 0.3 1 458 121 121 SER CA C 56.2270 0.3 1 459 121 121 SER CB C 61.3180 0.3 1 460 121 121 SER N N 117.2190 0.3 1 461 122 122 SER H H 8.2630 0.05 1 462 122 122 SER HA H 4.4910 0.05 1 463 122 122 SER HB2 H 3.8970 0.05 2 464 122 122 SER HB3 H 3.8970 0.05 2 465 122 122 SER C C 171.6920 0.3 1 466 122 122 SER CA C 55.6950 0.3 1 467 122 122 SER CB C 60.4550 0.3 1 468 122 122 SER N N 117.2190 0.3 1 469 123 123 CYS H H 8.1300 0.05 1 470 123 123 CYS HA H 4.4640 0.05 1 471 123 123 CYS HB2 H 2.9200 0.05 2 472 123 123 CYS C C 174.2120 0.3 1 473 123 123 CYS CA C 56.0000 0.3 1 474 123 123 CYS CB C 24.3280 0.3 1 475 123 123 CYS N N 120.0450 0.3 1 476 124 124 ARG H H 8.1520 0.05 1 477 124 124 ARG HA H 4.2610 0.05 1 478 124 124 ARG HB2 H 1.7240 0.05 2 479 124 124 ARG HB3 H 1.7240 0.05 2 480 124 124 ARG HG2 H 1.7240 0.05 2 481 124 124 ARG HG3 H 1.7240 0.05 2 482 124 124 ARG HD2 H 3.1520 0.05 2 483 124 124 ARG HD3 H 3.1520 0.05 2 484 124 124 ARG C C 173.1130 0.3 1 485 124 124 ARG CA C 56.1400 0.3 1 486 124 124 ARG CB C 27.2390 0.3 1 487 124 124 ARG N N 122.2800 0.3 1 488 125 125 ASN H H 8.1410 0.05 1 489 125 125 ASN HA H 4.4370 0.05 1 490 125 125 ASN C C 172.0770 0.3 1 491 125 125 ASN CA C 50.4090 0.3 1 492 125 125 ASN CB C 35.6730 0.3 1 493 125 125 ASN N N 118.9990 0.3 1 494 126 126 TYR H H 7.9630 0.05 1 495 126 126 TYR HA H 4.4700 0.05 1 496 126 126 TYR HB2 H 2.9690 0.05 2 497 126 126 TYR HB3 H 2.9690 0.05 2 498 126 126 TYR HD1 H 7.0600 0.05 3 499 126 126 TYR HD2 H 7.0600 0.05 3 500 126 126 TYR HE1 H 6.7880 0.05 3 501 126 126 TYR HE2 H 6.7880 0.05 3 502 126 126 TYR C C 174.2240 0.3 1 503 126 126 TYR CA C 55.5240 0.3 1 504 126 126 TYR CB C 35.6750 0.3 1 505 126 126 TYR N N 120.6130 0.3 1 506 127 127 ASN H H 8.1710 0.05 1 507 127 127 ASN HA H 4.2320 0.05 1 508 127 127 ASN HB2 H 2.7120 0.05 2 509 127 127 ASN HB3 H 2.7120 0.05 2 510 127 127 ASN HD21 H 7.3110 0.05 2 511 127 127 ASN C C 172.5430 0.3 1 512 127 127 ASN CA C 50.5000 0.3 1 513 127 127 ASN CB C 35.8130 0.3 1 514 127 127 ASN N N 119.9020 0.3 1 515 128 128 LYS H H 8.0350 0.05 1 516 128 128 LYS HA H 4.1700 0.05 1 517 128 128 LYS HB2 H 1.7320 0.05 2 518 128 128 LYS HB3 H 1.7320 0.05 2 519 128 128 LYS HG2 H 1.3650 0.05 2 520 128 128 LYS HD2 H 1.7320 0.05 2 521 128 128 LYS HD3 H 1.7320 0.05 2 522 128 128 LYS C C 174.0380 0.3 1 523 128 128 LYS CA C 54.3310 0.3 1 524 128 128 LYS CB C 29.9550 0.3 1 525 128 128 LYS N N 121.6780 0.3 1 526 129 129 GLN H H 8.1800 0.05 1 527 129 129 GLN HB2 H 1.8320 0.05 2 528 129 129 GLN HB3 H 1.8320 0.05 2 529 129 129 GLN HG2 H 2.2950 0.05 2 530 129 129 GLN HG3 H 2.2950 0.05 2 531 129 129 GLN C C 173.5850 0.3 1 532 129 129 GLN CA C 53.5540 0.3 1 533 129 129 GLN CB C 26.3420 0.3 1 534 129 129 GLN N N 120.0320 0.3 1 535 130 130 ALA H H 8.1020 0.05 1 536 130 130 ALA HA H 4.2430 0.05 1 537 130 130 ALA HB H 1.3550 0.05 1 538 130 130 ALA C C 175.3040 0.3 1 539 130 130 ALA CA C 50.2950 0.3 1 540 130 130 ALA CB C 16.1440 0.3 1 541 130 130 ALA N N 124.1250 0.3 1 542 131 131 SER H H 8.0740 0.05 1 543 131 131 SER HA H 4.4290 0.05 1 544 131 131 SER HB2 H 3.8480 0.05 2 545 131 131 SER HB3 H 3.8480 0.05 2 546 131 131 SER C C 172.2170 0.3 1 547 131 131 SER CA C 55.9860 0.3 1 548 131 131 SER CB C 60.9680 0.3 1 549 131 131 SER N N 113.9880 0.3 1 550 132 132 GLU H H 8.2310 0.05 1 551 132 132 GLU HA H 4.1790 0.05 1 552 132 132 GLU HB2 H 1.9430 0.05 2 553 132 132 GLU HB3 H 1.9430 0.05 2 554 132 132 GLU HG2 H 2.2190 0.05 2 555 132 132 GLU HG3 H 2.2190 0.05 2 556 132 132 GLU C C 174.0590 0.3 1 557 132 132 GLU CA C 54.3340 0.3 1 558 132 132 GLU CB C 27.0620 0.3 1 559 132 132 GLU N N 122.0140 0.3 1 560 133 133 GLN H H 8.0720 0.05 1 561 133 133 GLN HA H 4.1470 0.05 1 562 133 133 GLN HB2 H 1.8380 0.05 2 563 133 133 GLN HB3 H 2.1230 0.05 2 564 133 133 GLN HG2 H 2.3290 0.05 2 565 133 133 GLN HG3 H 2.3290 0.05 2 566 133 133 GLN HE21 H 7.2510 0.05 2 567 133 133 GLN HE22 H 7.7720 0.05 2 568 133 133 GLN C C 173.1130 0.3 1 569 133 133 GLN CA C 53.7530 0.3 1 570 133 133 GLN CB C 26.3060 0.3 1 571 133 133 GLN N N 119.6810 0.3 1 572 134 134 ASN H H 8.1410 0.05 1 573 134 134 ASN HA H 4.4560 0.05 1 574 134 134 ASN HB2 H 2.7030 0.05 2 575 134 134 ASN HB3 H 2.7030 0.05 2 576 134 134 ASN C C 172.7470 0.3 1 577 134 134 ASN CA C 50.7970 0.3 1 578 134 134 ASN CB C 36.0300 0.3 1 579 134 134 ASN N N 118.9990 0.3 1 580 135 135 TRP H H 7.9230 0.05 1 581 135 135 TRP HA H 4.5440 0.05 1 582 135 135 TRP HB2 H 3.2490 0.05 2 583 135 135 TRP HB3 H 3.1650 0.05 2 584 135 135 TRP C C 173.8540 0.3 1 585 135 135 TRP CA C 54.9200 0.3 1 586 135 135 TRP CB C 26.4360 0.3 1 587 135 135 TRP N N 121.1310 0.3 1 588 136 136 ALA H H 7.9300 0.05 1 589 136 136 ALA HA H 4.1030 0.05 1 590 136 136 ALA HB H 1.1920 0.05 1 591 136 136 ALA C C 175.0590 0.3 1 592 136 136 ALA CA C 50.4520 0.3 1 593 136 136 ALA CB C 15.9170 0.3 1 594 136 136 ALA N N 123.5860 0.3 1 595 137 137 ASN H H 7.9210 0.05 1 596 137 137 ASN HA H 4.2760 0.05 1 597 137 137 ASN HB2 H 2.7040 0.05 2 598 137 137 ASN HB3 H 2.6120 0.05 2 599 137 137 ASN HD21 H 7.7150 0.05 2 600 137 137 ASN C C 172.6250 0.3 1 601 137 137 ASN CA C 50.5690 0.3 1 602 137 137 ASN CB C 35.6980 0.3 1 603 137 137 ASN N N 116.4660 0.3 1 604 138 138 TYR H H 7.8750 0.05 1 605 138 138 TYR HA H 4.4560 0.05 1 606 138 138 TYR HB2 H 2.9780 0.05 2 607 138 138 TYR HB3 H 2.9780 0.05 2 608 138 138 TYR HD1 H 7.0290 0.05 3 609 138 138 TYR HD2 H 7.0290 0.05 3 610 138 138 TYR HE1 H 6.7420 0.05 3 611 138 138 TYR HE2 H 6.7420 0.05 3 612 138 138 TYR C C 173.4440 0.3 1 613 138 138 TYR CA C 55.8990 0.3 1 614 138 138 TYR CB C 35.7570 0.3 1 615 138 138 TYR N N 120.3970 0.3 1 616 139 139 SER H H 8.0060 0.05 1 617 139 139 SER HA H 4.2000 0.05 1 618 139 139 SER HB2 H 3.7600 0.05 2 619 139 139 SER C C 172.0720 0.3 1 620 139 139 SER CA C 55.9120 0.3 1 621 139 139 SER CB C 60.9670 0.3 1 622 139 139 SER N N 116.5140 0.3 1 623 140 140 ALA H H 8.0760 0.05 1 624 140 140 ALA HA H 4.2070 0.05 1 625 140 140 ALA HB H 1.3940 0.05 1 626 140 140 ALA C C 175.8510 0.3 1 627 140 140 ALA CA C 50.5670 0.3 1 628 140 140 ALA CB C 15.9890 0.3 1 629 140 140 ALA N N 125.5190 0.3 1 630 141 141 GLU H H 8.1530 0.05 1 631 141 141 GLU HA H 4.1360 0.05 1 632 141 141 GLU HB2 H 1.9490 0.05 2 633 141 141 GLU HB3 H 1.9490 0.05 2 634 141 141 GLU HG2 H 2.2410 0.05 2 635 141 141 GLU HG3 H 2.2420 0.05 2 636 141 141 GLU C C 174.6180 0.3 1 637 141 141 GLU CA C 54.5440 0.3 1 638 141 141 GLU CB C 26.8570 0.3 1 639 141 141 GLU N N 118.5630 0.3 1 640 142 142 GLN H H 8.0520 0.05 1 641 142 142 GLN HA H 4.1620 0.05 1 642 142 142 GLN HB2 H 1.9650 0.05 2 643 142 142 GLN HB3 H 1.9650 0.05 2 644 142 142 GLN HG2 H 2.2620 0.05 2 645 142 142 GLN HG3 H 2.2620 0.05 2 646 142 142 GLN HE21 H 7.1930 0.05 2 647 142 142 GLN HE22 H 7.8310 0.05 2 648 142 142 GLN C C 171.4970 0.3 1 649 142 142 GLN CA C 53.8530 0.3 1 650 142 142 GLN CB C 25.9040 0.3 1 651 142 142 GLN N N 119.3000 0.3 1 652 143 143 ASN H H 8.1530 0.05 1 653 143 143 ASN HA H 4.2870 0.05 1 654 143 143 ASN HB2 H 2.7690 0.05 2 655 143 143 ASN HB3 H 2.7690 0.05 2 656 143 143 ASN C C 172.9480 0.3 1 657 143 143 ASN CA C 50.7390 0.3 1 658 143 143 ASN CB C 35.8480 0.3 1 659 143 143 ASN N N 118.3220 0.3 1 660 144 144 ARG H H 8.0620 0.05 1 661 144 144 ARG HA H 4.2460 0.05 1 662 144 144 ARG HB2 H 1.8900 0.05 2 663 144 144 ARG HB3 H 1.7900 0.05 2 664 144 144 ARG HG2 H 1.6960 0.05 2 665 144 144 ARG HG3 H 1.6960 0.05 2 666 144 144 ARG HD2 H 3.3870 0.05 2 667 144 144 ARG HD3 H 3.3870 0.05 2 668 144 144 ARG C C 173.9560 0.3 1 669 144 144 ARG CA C 54.1620 0.3 1 670 144 144 ARG CB C 27.6270 0.3 1 671 144 144 ARG N N 120.5470 0.3 1 672 145 145 MET H H 8.1440 0.05 1 673 145 145 MET HA H 4.3970 0.05 1 674 145 145 MET HB2 H 2.0380 0.05 2 675 145 145 MET HB3 H 2.0380 0.05 2 676 145 145 MET HG2 H 2.5400 0.05 2 677 145 145 MET HG3 H 2.5400 0.05 2 678 145 145 MET C C 174.1960 0.3 1 679 145 145 MET CA C 53.3590 0.3 1 680 145 145 MET CB C 29.7610 0.3 1 681 145 145 MET N N 119.4750 0.3 1 682 146 146 GLY H H 8.1820 0.05 1 683 146 146 GLY HA2 H 3.9140 0.05 2 684 146 146 GLY HA3 H 3.9140 0.05 2 685 146 146 GLY C C 171.5640 0.3 1 686 146 146 GLY CA C 42.6270 0.3 1 687 146 146 GLY N N 108.9960 0.3 1 688 147 147 GLN H H 8.0700 0.05 1 689 147 147 GLN HA H 4.3140 0.05 1 690 147 147 GLN HB2 H 1.9450 0.05 2 691 147 147 GLN HB3 H 1.9450 0.05 2 692 147 147 GLN HG2 H 2.3100 0.05 2 693 147 147 GLN HG3 H 2.3100 0.05 2 694 147 147 GLN C C 173.2710 0.3 1 695 147 147 GLN CA C 53.1500 0.3 1 696 147 147 GLN CB C 26.4530 0.3 1 697 147 147 GLN N N 119.5770 0.3 1 698 148 148 ALA H H 8.2580 0.05 1 699 148 148 ALA HA H 4.2840 0.05 1 700 148 148 ALA HB H 1.3750 0.05 1 701 148 148 ALA C C 175.4690 0.3 1 702 148 148 ALA CA C 50.1700 0.3 1 703 148 148 ALA CB C 16.1840 0.3 1 704 148 148 ALA N N 124.7420 0.3 1 705 149 149 GLY H H 8.2460 0.05 1 706 149 149 GLY HA2 H 3.9420 0.05 2 707 149 149 GLY HA3 H 3.9420 0.05 2 708 149 149 GLY C C 171.5410 0.3 1 709 149 149 GLY CA C 42.5400 0.3 1 710 149 149 GLY N N 107.6960 0.3 1 711 150 150 SER H H 8.0520 0.05 1 712 150 150 SER HA H 4.5150 0.05 1 713 150 150 SER HB2 H 3.8580 0.05 2 714 150 150 SER HB3 H 3.8580 0.05 2 715 150 150 SER C C 172.1450 0.3 1 716 150 150 SER CA C 55.7500 0.3 1 717 150 150 SER CB C 61.1550 0.3 1 718 150 150 SER N N 115.1270 0.3 1 719 151 151 THR H H 8.1130 0.05 1 720 151 151 THR HA H 4.3390 0.05 1 721 151 151 THR HB H 4.2490 0.05 1 722 151 151 THR HG2 H 1.1640 0.05 1 723 151 151 THR C C 171.9650 0.3 1 724 151 151 THR CA C 59.2250 0.3 1 725 151 151 THR CB C 66.9370 0.3 1 726 151 151 THR N N 115.6070 0.3 1 727 152 152 ILE H H 7.9800 0.05 1 728 152 152 ILE HA H 4.1630 0.05 1 729 152 152 ILE HB H 1.8390 0.05 1 730 152 152 ILE HG12 H 1.4320 0.05 1 731 152 152 ILE HG13 H 1.1560 0.05 1 732 152 152 ILE HG2 H 0.8620 0.05 1 733 152 152 ILE HD1 H 0.8620 0.05 1 734 152 152 ILE C C 173.5060 0.3 1 735 152 152 ILE CA C 58.7690 0.3 1 736 152 152 ILE CB C 35.7760 0.3 1 737 152 152 ILE N N 122.0030 0.3 1 738 153 153 SER H H 8.1600 0.05 1 739 153 153 SER HA H 4.4200 0.05 1 740 153 153 SER HB2 H 3.8090 0.05 2 741 153 153 SER HB3 H 3.8090 0.05 2 742 153 153 SER C C 171.6120 0.3 1 743 153 153 SER CA C 55.5560 0.3 1 744 153 153 SER CB C 60.9830 0.3 1 745 153 153 SER N N 118.6350 0.3 1 746 154 154 ASN H H 8.2680 0.05 1 747 154 154 ASN HA H 4.5470 0.05 1 748 154 154 ASN HB2 H 2.7730 0.05 2 749 154 154 ASN HB3 H 2.7730 0.05 2 750 154 154 ASN C C 172.5420 0.3 1 751 154 154 ASN CA C 50.4470 0.3 1 752 154 154 ASN CB C 36.0060 0.3 1 753 154 154 ASN N N 120.7100 0.3 1 754 155 155 SER H H 8.1130 0.05 1 755 155 155 SER C C 170.9040 0.3 1 756 155 155 SER CA C 55.8160 0.3 1 757 155 155 SER CB C 60.9520 0.3 1 758 155 155 SER N N 115.6090 0.3 1 759 156 156 HIS H H 8.2860 0.05 1 760 156 156 HIS HA H 4.4200 0.05 1 761 156 156 HIS HB2 H 2.6590 0.05 2 762 156 156 HIS C C 171.2750 0.3 1 763 156 156 HIS CA C 52.6600 0.3 1 764 156 156 HIS CB C 26.2560 0.3 1 765 156 156 HIS N N 119.4800 0.3 1 766 157 157 ALA H H 8.0670 0.05 1 767 157 157 ALA HA H 4.2870 0.05 1 768 157 157 ALA HB H 1.3190 0.05 1 769 157 157 ALA C C 174.2240 0.3 1 770 157 157 ALA CA C 49.6110 0.3 1 771 157 157 ALA CB C 16.4610 0.3 1 772 157 157 ALA N N 124.3600 0.3 1 773 158 158 GLN H H 8.1800 0.05 1 774 158 158 GLN HA H 4.2340 0.05 1 775 158 158 GLN HB2 H 1.9730 0.05 2 776 158 158 GLN HB3 H 1.9730 0.05 2 777 158 158 GLN HG2 H 2.3410 0.05 2 778 158 158 GLN HG3 H 2.3410 0.05 2 779 158 158 GLN C C 171.5500 0.3 1 780 158 158 GLN CA C 49.9250 0.3 1 781 158 158 GLN CB C 26.2630 0.3 1 782 158 158 GLN N N 120.0320 0.3 1 783 159 159 PRO CA C 60.4860 0.3 1 784 159 159 PRO CB C 28.8630 0.3 1 785 160 160 PHE H H 7.7330 0.05 1 786 160 160 PHE HA H 4.5240 0.05 1 787 160 160 PHE HB2 H 2.9430 0.05 2 788 160 160 PHE HB3 H 2.9430 0.05 2 789 160 160 PHE HD1 H 7.3090 0.05 3 790 160 160 PHE HD2 H 7.3090 0.05 3 791 160 160 PHE HE1 H 7.5140 0.05 3 792 160 160 PHE HE2 H 7.5140 0.05 3 793 160 160 PHE C C 172.0730 0.3 1 794 160 160 PHE CA C 54.3300 0.3 1 795 160 160 PHE CB C 36.5700 0.3 1 796 160 160 PHE N N 117.8690 0.3 1 797 161 161 ASP H H 7.9160 0.05 1 798 161 161 ASP HA H 4.5440 0.05 1 799 161 161 ASP HB2 H 2.4600 0.05 2 800 161 161 ASP HB3 H 2.4600 0.05 2 801 161 161 ASP C C 172.2130 0.3 1 802 161 161 ASP CA C 52.9510 0.3 1 803 161 161 ASP CB C 38.3740 0.3 1 804 161 161 ASP N N 121.0410 0.3 1 805 162 162 PHE H H 7.9540 0.05 1 806 162 162 PHE HA H 4.2700 0.05 1 807 162 162 PHE HB2 H 3.1220 0.05 2 808 162 162 PHE HB3 H 2.8830 0.05 2 809 162 162 PHE C C 174.0970 0.3 1 810 162 162 PHE CA C 50.9900 0.3 1 811 162 162 PHE CB C 38.2840 0.3 1 812 162 162 PHE N N 121.0580 0.3 1 813 163 163 PRO CA C 60.4200 0.3 1 814 163 163 PRO CB C 29.0460 0.3 1 815 164 164 ASP H H 8.1560 0.05 1 816 164 164 ASP HA H 4.5810 0.05 1 817 164 164 ASP HB2 H 2.6550 0.05 2 818 164 164 ASP HB3 H 2.6550 0.05 2 819 164 164 ASP C C 173.3900 0.3 1 820 164 164 ASP CA C 51.5320 0.3 1 821 164 164 ASP CB C 38.3990 0.3 1 822 164 164 ASP N N 120.0520 0.3 1 823 165 165 ASP H H 8.1950 0.05 1 824 165 165 ASP HA H 4.3720 0.05 1 825 165 165 ASP HB2 H 2.6590 0.05 2 826 165 165 ASP C C 173.7350 0.3 1 827 165 165 ASP CA C 51.6430 0.3 1 828 165 165 ASP CB C 38.2360 0.3 1 829 165 165 ASP N N 120.7070 0.3 1 830 166 166 ASN H H 8.3310 0.05 1 831 166 166 ASN HA H 4.6090 0.05 1 832 166 166 ASN HB2 H 2.7940 0.05 2 833 166 166 ASN HB3 H 2.7940 0.05 2 834 166 166 ASN C C 173.1500 0.3 1 835 166 166 ASN CA C 51.1100 0.3 1 836 166 166 ASN CB C 35.8870 0.3 1 837 166 166 ASN N N 118.6800 0.3 1 838 167 167 GLN H H 8.2950 0.05 1 839 167 167 GLN HA H 4.1910 0.05 1 840 167 167 GLN HB2 H 1.9990 0.05 2 841 167 167 GLN HB3 H 1.9990 0.05 2 842 167 167 GLN HG2 H 2.3280 0.05 2 843 167 167 GLN HG3 H 2.3280 0.05 2 844 167 167 GLN C C 173.7140 0.3 1 845 167 167 GLN CA C 54.0800 0.3 1 846 167 167 GLN CB C 26.0210 0.3 1 847 167 167 GLN N N 119.7040 0.3 1 848 168 168 ASN H H 8.2370 0.05 1 849 168 168 ASN HA H 4.5950 0.05 1 850 168 168 ASN HB2 H 2.7640 0.05 2 851 168 168 ASN HB3 H 2.7640 0.05 2 852 168 168 ASN C C 172.7320 0.3 1 853 168 168 ASN CA C 51.2340 0.3 1 854 168 168 ASN CB C 35.8630 0.3 1 855 168 168 ASN N N 118.3300 0.3 1 856 169 169 ALA H H 7.9950 0.05 1 857 169 169 ALA HA H 4.2020 0.05 1 858 169 169 ALA HB H 1.3650 0.05 1 859 169 169 ALA C C 175.3420 0.3 1 860 169 169 ALA CA C 50.4950 0.3 1 861 169 169 ALA CB C 16.1190 0.3 1 862 169 169 ALA N N 123.3740 0.3 1 863 170 170 LYS H H 7.9720 0.05 1 864 170 170 LYS HA H 4.1990 0.05 1 865 170 170 LYS HB2 H 1.7640 0.05 2 866 170 170 LYS HB3 H 1.7640 0.05 2 867 170 170 LYS HG2 H 1.4480 0.05 2 868 170 170 LYS HG3 H 1.4480 0.05 2 869 170 170 LYS HD2 H 1.7640 0.05 2 870 170 170 LYS HD3 H 1.7640 0.05 2 871 170 170 LYS C C 174.1290 0.3 1 872 170 170 LYS CA C 53.9650 0.3 1 873 170 170 LYS CB C 29.9300 0.3 1 874 170 170 LYS N N 118.9250 0.3 1 875 171 171 LYS H H 8.0030 0.05 1 876 171 171 LYS HA H 4.2680 0.05 1 877 171 171 LYS HB2 H 1.7760 0.05 2 878 171 171 LYS HB3 H 1.7760 0.05 2 879 171 171 LYS HG2 H 1.3740 0.05 2 880 171 171 LYS HG3 H 1.3740 0.05 2 881 171 171 LYS HD2 H 1.7760 0.05 2 882 171 171 LYS HD3 H 1.7760 0.05 2 883 171 171 LYS C C 174.1170 0.3 1 884 171 171 LYS CA C 53.8990 0.3 1 885 171 171 LYS CB C 29.9460 0.3 1 886 171 171 LYS N N 121.4800 0.3 1 887 172 172 VAL H H 7.9100 0.05 1 888 172 172 VAL HA H 4.0280 0.05 1 889 172 172 VAL HB H 2.0340 0.05 1 890 172 172 VAL HG1 H 0.8920 0.05 2 891 172 172 VAL HG2 H 0.8920 0.05 2 892 172 172 VAL C C 173.3400 0.3 1 893 172 172 VAL CA C 59.8570 0.3 1 894 172 172 VAL CB C 29.8100 0.3 1 895 172 172 VAL N N 120.1050 0.3 1 896 173 173 ALA H H 8.1300 0.05 1 897 173 173 ALA HA H 4.2740 0.05 1 898 173 173 ALA HB H 1.3470 0.05 1 899 173 173 ALA C C 174.6090 0.3 1 900 173 173 ALA CA C 49.9350 0.3 1 901 173 173 ALA CB C 16.2790 0.3 1 902 173 173 ALA N N 126.3620 0.3 1 903 174 174 ALA H H 8.0520 0.05 1 904 174 174 ALA HA H 4.2560 0.05 1 905 174 174 ALA HB H 1.3620 0.05 1 906 174 174 ALA C C 175.4690 0.3 1 907 174 174 ALA CA C 49.9550 0.3 1 908 174 174 ALA CB C 16.2200 0.3 1 909 174 174 ALA N N 122.7080 0.3 1 910 175 175 GLY H H 8.2700 0.05 1 911 175 175 GLY HA2 H 3.8770 0.05 2 912 175 175 GLY HA3 H 3.8770 0.05 2 913 175 175 GLY C C 171.4970 0.3 1 914 175 175 GLY CA C 42.5490 0.3 1 915 175 175 GLY N N 107.3880 0.3 1 916 176 176 HIS H H 8.1490 0.05 1 917 176 176 HIS HA H 4.5940 0.05 1 918 176 176 HIS HB2 H 3.1780 0.05 2 919 176 176 HIS HB3 H 2.9320 0.05 2 920 176 176 HIS C C 173.8630 0.3 1 921 176 176 HIS CA C 52.8130 0.3 1 922 176 176 HIS CB C 26.4330 0.3 1 923 176 176 HIS N N 117.6990 0.3 1 924 177 177 GLU H H 8.5230 0.05 1 925 177 177 GLU HA H 4.2480 0.05 1 926 177 177 GLU HB2 H 1.9300 0.05 2 927 177 177 GLU HB3 H 1.9300 0.05 2 928 177 177 GLU HG2 H 2.2330 0.05 2 929 177 177 GLU HG3 H 2.2330 0.05 2 930 177 177 GLU C C 173.3460 0.3 1 931 177 177 GLU CA C 54.1210 0.3 1 932 177 177 GLU CB C 26.9330 0.3 1 933 177 177 GLU N N 121.0370 0.3 1 934 178 178 LEU H H 8.1100 0.05 1 935 178 178 LEU HA H 4.3340 0.05 1 936 178 178 LEU HB2 H 1.5870 0.05 2 937 178 178 LEU HB3 H 1.5870 0.05 2 938 178 178 LEU HD1 H 0.8460 0.05 2 939 178 178 LEU HD2 H 0.8460 0.05 2 940 178 178 LEU C C 173.3490 0.3 1 941 178 178 LEU CA C 51.8440 0.3 1 942 178 178 LEU CB C 39.4410 0.3 1 943 178 178 LEU N N 122.2540 0.3 1 944 179 179 GLN H H 8.0490 0.05 1 945 179 179 GLN HA H 4.4750 0.05 1 946 179 179 GLN HB2 H 2.0920 0.05 2 947 179 179 GLN HB3 H 1.9630 0.05 2 948 179 179 GLN HG2 H 2.3550 0.05 2 949 179 179 GLN HG3 H 2.3550 0.05 2 950 179 179 GLN C C 173.3400 0.3 1 951 179 179 GLN CA C 51.7190 0.3 1 952 179 179 GLN CB C 26.0630 0.3 1 953 179 179 GLN N N 121.7600 0.3 1 954 180 180 PRO CA C 61.4480 0.3 1 955 180 180 PRO CB C 29.0130 0.3 1 956 181 181 LEU H H 7.9150 0.05 1 957 181 181 LEU HA H 4.2160 0.05 1 958 181 181 LEU HB2 H 1.6210 0.05 2 959 181 181 LEU HB3 H 1.6210 0.05 2 960 181 181 LEU HG H 1.6210 0.05 1 961 181 181 LEU C C 174.5350 0.3 1 962 181 181 LEU CA C 52.9820 0.3 1 963 181 181 LEU CB C 38.9860 0.3 1 964 181 181 LEU N N 117.5690 0.3 1 965 182 182 ALA H H 7.9250 0.05 1 966 182 182 ALA HA H 4.2450 0.05 1 967 182 182 ALA HB H 1.4010 0.05 1 968 182 182 ALA C C 175.3520 0.3 1 969 182 182 ALA CA C 50.4670 0.3 1 970 182 182 ALA CB C 16.0340 0.3 1 971 182 182 ALA N N 122.5260 0.3 1 972 183 183 ILE H H 7.6130 0.05 1 973 183 183 ILE HA H 4.0160 0.05 1 974 183 183 ILE HB H 1.9150 0.05 1 975 183 183 ILE HG12 H 1.5830 0.05 1 976 183 183 ILE HG2 H 0.8930 0.05 1 977 183 183 ILE HD1 H 0.8930 0.05 1 978 183 183 ILE C C 173.6590 0.3 1 979 183 183 ILE CA C 59.4890 0.3 1 980 183 183 ILE CB C 35.5020 0.3 1 981 183 183 ILE N N 116.7020 0.3 1 982 184 184 VAL H H 7.5590 0.05 1 983 184 184 VAL HA H 4.0130 0.05 1 984 184 184 VAL HB H 2.1380 0.05 1 985 184 184 VAL HG1 H 0.9310 0.05 2 986 184 184 VAL HG2 H 0.9310 0.05 2 987 184 184 VAL C C 173.2290 0.3 1 988 184 184 VAL CA C 60.0870 0.3 1 989 184 184 VAL CB C 29.5110 0.3 1 990 184 184 VAL N N 118.4670 0.3 1 991 185 185 ASP H H 7.9540 0.05 1 992 185 185 ASP HA H 4.6620 0.05 1 993 185 185 ASP HB2 H 2.6480 0.05 2 994 185 185 ASP C C 173.3040 0.3 1 995 185 185 ASP CA C 52.9510 0.3 1 996 185 185 ASP CB C 36.3800 0.3 1 997 185 185 ASP N N 121.0580 0.3 1 998 186 186 GLN H H 7.9630 0.05 1 999 186 186 GLN HB2 H 2.1740 0.05 2 1000 186 186 GLN HB3 H 1.9340 0.05 2 1001 186 186 GLN HG2 H 2.3240 0.05 2 1002 186 186 GLN HG3 H 2.3240 0.05 2 1003 186 186 GLN C C 174.1290 0.3 1 1004 186 186 GLN CA C 52.5670 0.3 1 1005 186 186 GLN CB C 26.3480 0.3 1 1006 186 186 GLN N N 119.4370 0.3 1 1007 187 187 ARG H H 8.0370 0.05 1 1008 187 187 ARG HA H 4.1520 0.05 1 1009 187 187 ARG HB2 H 1.7400 0.05 2 1010 187 187 ARG HB3 H 1.7400 0.05 2 1011 187 187 ARG HG2 H 1.7400 0.05 2 1012 187 187 ARG HG3 H 1.7400 0.05 2 1013 187 187 ARG C C 174.0360 0.3 1 1014 187 187 ARG CA C 51.7930 0.3 1 1015 187 187 ARG CB C 26.8770 0.3 1 1016 187 187 ARG N N 121.4710 0.3 1 1017 188 188 PRO CA C 61.1410 0.3 1 1018 188 188 PRO CB C 29.1640 0.3 1 1019 189 189 SER H H 8.1500 0.05 1 1020 189 189 SER HA H 4.3990 0.05 1 1021 189 189 SER HB2 H 3.8340 0.05 2 1022 189 189 SER HB3 H 3.8340 0.05 2 1023 189 189 SER C C 172.2680 0.3 1 1024 189 189 SER CA C 55.5760 0.3 1 1025 189 189 SER CB C 61.1520 0.3 1 1026 189 189 SER N N 115.1400 0.3 1 1027 190 190 SER H H 8.2000 0.05 1 1028 190 190 SER HA H 4.4910 0.05 1 1029 190 190 SER HB2 H 3.8950 0.05 2 1030 190 190 SER C C 172.1170 0.3 1 1031 190 190 SER CA C 55.9560 0.3 1 1032 190 190 SER CB C 61.4390 0.3 1 1033 190 190 SER N N 117.5680 0.3 1 1034 191 191 ARG H H 8.1280 0.05 1 1035 191 191 ARG HA H 4.2940 0.05 1 1036 191 191 ARG HB2 H 1.7650 0.05 2 1037 191 191 ARG HB3 H 1.7650 0.05 2 1038 191 191 ARG HG2 H 1.7650 0.05 2 1039 191 191 ARG HG3 H 1.7650 0.05 2 1040 191 191 ARG C C 173.6450 0.3 1 1041 191 191 ARG CA C 53.4190 0.3 1 1042 191 191 ARG CB C 27.3670 0.3 1 1043 191 191 ARG N N 122.2240 0.3 1 1044 192 192 ALA H H 8.1370 0.05 1 1045 192 192 ALA HA H 4.2720 0.05 1 1046 192 192 ALA HB H 1.3940 0.05 1 1047 192 192 ALA C C 175.2970 0.3 1 1048 192 192 ALA CA C 50.3250 0.3 1 1049 192 192 ALA CB C 16.1550 0.3 1 1050 192 192 ALA N N 123.8930 0.3 1 1051 193 193 SER H H 8.0390 0.05 1 1052 193 193 SER HA H 4.4740 0.05 1 1053 193 193 SER HB2 H 3.8610 0.05 2 1054 193 193 SER HB3 H 3.8610 0.05 2 1055 193 193 SER C C 172.2420 0.3 1 1056 193 193 SER CA C 55.6540 0.3 1 1057 193 193 SER CB C 60.9470 0.3 1 1058 193 193 SER N N 114.0400 0.3 1 1059 194 194 SER H H 8.1600 0.05 1 1060 194 194 SER HA H 4.4940 0.05 1 1061 194 194 SER HB2 H 3.8980 0.05 2 1062 194 194 SER HB3 H 3.8980 0.05 2 1063 194 194 SER C C 172.1170 0.3 1 1064 194 194 SER CA C 55.9570 0.3 1 1065 194 194 SER CB C 60.8270 0.3 1 1066 194 194 SER N N 117.4050 0.3 1 1067 195 195 ARG H H 8.1490 0.05 1 1068 195 195 ARG HA H 4.0870 0.05 1 1069 195 195 ARG HB2 H 1.6420 0.05 2 1070 195 195 ARG HB3 H 1.6420 0.05 2 1071 195 195 ARG HG2 H 1.6420 0.05 2 1072 195 195 ARG HG3 H 1.6420 0.05 2 1073 195 195 ARG C C 173.6450 0.3 1 1074 195 195 ARG CA C 53.4790 0.3 1 1075 195 195 ARG CB C 27.6380 0.3 1 1076 195 195 ARG N N 122.2840 0.3 1 1077 196 196 ALA H H 8.1230 0.05 1 1078 196 196 ALA HA H 4.2440 0.05 1 1079 196 196 ALA HB H 1.3600 0.05 1 1080 196 196 ALA C C 175.0950 0.3 1 1081 196 196 ALA CA C 50.2160 0.3 1 1082 196 196 ALA CB C 16.2420 0.3 1 1083 196 196 ALA N N 124.0660 0.3 1 1084 197 197 SER H H 8.0600 0.05 1 1085 197 197 SER HA H 4.4790 0.05 1 1086 197 197 SER HB2 H 3.8650 0.05 2 1087 197 197 SER HB3 H 3.8650 0.05 2 1088 197 197 SER C C 171.7880 0.3 1 1089 197 197 SER CA C 55.7650 0.3 1 1090 197 197 SER CB C 60.9840 0.3 1 1091 197 197 SER N N 113.9610 0.3 1 1092 198 198 SER H H 8.1030 0.05 1 1093 198 198 SER HA H 4.4640 0.05 1 1094 198 198 SER HB2 H 3.8560 0.05 2 1095 198 198 SER HB3 H 3.8560 0.05 2 1096 198 198 SER C C 171.1430 0.3 1 1097 198 198 SER CA C 55.5830 0.3 1 1098 198 198 SER CB C 61.0290 0.3 1 1099 198 198 SER N N 117.2280 0.3 1 1100 199 199 ARG H H 8.0460 0.05 1 1101 199 199 ARG HA H 4.3980 0.05 1 1102 199 199 ARG HB2 H 1.8190 0.05 2 1103 199 199 ARG HB3 H 1.8190 0.05 2 1104 199 199 ARG HG2 H 1.6860 0.05 2 1105 199 199 ARG HG3 H 1.6860 0.05 2 1106 199 199 ARG HD2 H 3.1880 0.05 2 1107 199 199 ARG HD3 H 3.1880 0.05 2 1108 199 199 ARG C C 171.2560 0.3 1 1109 199 199 ARG CA C 51.2590 0.3 1 1110 199 199 ARG CB C 27.4060 0.3 1 1111 199 199 ARG N N 123.0160 0.3 1 1112 200 200 PRO C C 173.6230 0.3 1 1113 200 200 PRO CA C 60.2460 0.3 1 1114 200 200 PRO CB C 29.0760 0.3 1 1115 201 201 ARG H H 8.3130 0.05 1 1116 201 201 ARG HA H 4.3240 0.05 1 1117 201 201 ARG HB2 H 1.8790 0.05 2 1118 201 201 ARG HB3 H 1.7900 0.05 2 1119 201 201 ARG HG2 H 1.7130 0.05 2 1120 201 201 ARG HG3 H 1.7130 0.05 2 1121 201 201 ARG HD2 H 3.2080 0.05 2 1122 201 201 ARG HD3 H 3.2080 0.05 2 1123 201 201 ARG C C 172.1670 0.3 1 1124 201 201 ARG CA C 50.8920 0.3 1 1125 201 201 ARG CB C 27.7420 0.3 1 1126 201 201 ARG N N 121.5150 0.3 1 1127 202 202 PRO CA C 60.8490 0.3 1 1128 202 202 PRO CB C 29.0120 0.3 1 1129 203 203 ASP H H 8.2500 0.05 1 1130 203 203 ASP HA H 4.4950 0.05 1 1131 203 203 ASP HB2 H 2.6140 0.05 2 1132 203 203 ASP HB3 H 2.6140 0.05 2 1133 203 203 ASP C C 173.3040 0.3 1 1134 203 203 ASP CA C 51.6280 0.3 1 1135 203 203 ASP CB C 37.9220 0.3 1 1136 203 203 ASP N N 118.1080 0.3 1 1137 204 204 ASP H H 8.0000 0.05 1 1138 204 204 ASP HA H 4.5640 0.05 1 1139 204 204 ASP HB2 H 2.6530 0.05 2 1140 204 204 ASP C C 173.4440 0.3 1 1141 204 204 ASP CA C 51.6650 0.3 1 1142 204 204 ASP CB C 38.0300 0.3 1 1143 204 204 ASP N N 119.1980 0.3 1 1144 205 205 LEU H H 7.8730 0.05 1 1145 205 205 LEU HA H 4.3110 0.05 1 1146 205 205 LEU HB2 H 1.5960 0.05 2 1147 205 205 LEU HB3 H 1.5960 0.05 2 1148 205 205 LEU HG H 1.5960 0.05 1 1149 205 205 LEU HD1 H 0.8520 0.05 2 1150 205 205 LEU HD2 H 0.8520 0.05 2 1151 205 205 LEU C C 174.2120 0.3 1 1152 205 205 LEU CA C 52.1420 0.3 1 1153 205 205 LEU CB C 39.6500 0.3 1 1154 205 205 LEU N N 121.1830 0.3 1 1155 206 206 GLU H H 8.1620 0.05 1 1156 206 206 GLU HA H 4.3140 0.05 1 1157 206 206 GLU HB2 H 2.0400 0.05 2 1158 206 206 GLU HB3 H 1.9010 0.05 2 1159 206 206 GLU HG2 H 2.2200 0.05 2 1160 206 206 GLU HG3 H 2.2160 0.05 2 1161 206 206 GLU C C 172.3790 0.3 1 1162 206 206 GLU CA C 53.4850 0.3 1 1163 206 206 GLU CB C 27.2390 0.3 1 1164 206 206 GLU N N 122.0470 0.3 1 1165 207 207 ILE H H 7.4970 0.05 1 1166 207 207 ILE HA H 4.0650 0.05 1 1167 207 207 ILE HB H 2.2030 0.05 1 1168 207 207 ILE HG12 H 1.4320 0.05 1 1169 207 207 ILE HG13 H 1.7810 0.05 1 1170 207 207 ILE HG2 H 0.8460 0.05 1 1171 207 207 ILE HD1 H 0.8460 0.05 1 1172 207 207 ILE C C 172.3790 0.3 1 1173 207 207 ILE CA C 59.9580 0.3 1 1174 207 207 ILE CB C 36.8490 0.3 1 1175 207 207 ILE N N 125.6870 0.3 1 stop_ save_