data_5313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific resonance assignment of the rat Gap Junction 43 kDa carboxyl terminal domain ; _BMRB_accession_number 5313 _BMRB_flat_file_name bmr5313.str _Entry_type original _Submission_date 2002-03-08 _Accession_date 2002-03-08 _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 Sorgen Paul L . 2 Spray David C . 3 Delmar Mario . . 4 Girvin Mark E . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 586 "13C chemical shifts" 463 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-23 original author . stop_ _Original_release_date 2002-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific resonance assignment of the rat Gap Junction 43 kDa carboxyl terminal domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sorgen Paul L . 2 Spray David C . 3 Delmar Mario . . 4 Girvin Mark E . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 245 _Page_last 246 _Year 2002 _Details . loop_ _Keyword Cx43 stop_ save_ ################################## # Molecular system description # ################################## save_system_Cx43CT _Saveframe_category molecular_system _Mol_system_name 'Gap Junction 43kDa Carboxyl Terminus' _Abbreviation_common Cx43CT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cx43CT $Cx43CT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cx43CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Gap Junction 43kDa Carboxyl terminus' _Abbreviation_common Cx43CT _Molecular_mass 15300 _Mol_thiol_state 'all free' _Details 'Carboxyl terminus.' ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; GPLGSPSKDCGSPKYAYFNG CSSPTAPLSPMSPPGYKLVT GDRNNSSCRNYNKQASEQNW ANYSAEQNRMGQAGSTISNS HAQPFDFPDDNQNAKKVAAG HELQPLAIVDQRPSSRASSR ASSRPRPDDLEI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 PRO 7 SER 8 LYS 9 ASP 10 CYS 11 GLY 12 SER 13 PRO 14 LYS 15 TYR 16 ALA 17 TYR 18 PHE 19 ASN 20 GLY 21 CYS 22 SER 23 SER 24 PRO 25 THR 26 ALA 27 PRO 28 LEU 29 SER 30 PRO 31 MET 32 SER 33 PRO 34 PRO 35 GLY 36 TYR 37 LYS 38 LEU 39 VAL 40 THR 41 GLY 42 ASP 43 ARG 44 ASN 45 ASN 46 SER 47 SER 48 CYS 49 ARG 50 ASN 51 TYR 52 ASN 53 LYS 54 GLN 55 ALA 56 SER 57 GLU 58 GLN 59 ASN 60 TRP 61 ALA 62 ASN 63 TYR 64 SER 65 ALA 66 GLU 67 GLN 68 ASN 69 ARG 70 MET 71 GLY 72 GLN 73 ALA 74 GLY 75 SER 76 THR 77 ILE 78 SER 79 ASN 80 SER 81 HIS 82 ALA 83 GLN 84 PRO 85 PHE 86 ASP 87 PHE 88 PRO 89 ASP 90 ASP 91 ASN 92 GLN 93 ASN 94 ALA 95 LYS 96 LYS 97 VAL 98 ALA 99 ALA 100 GLY 101 HIS 102 GLU 103 LEU 104 GLN 105 PRO 106 LEU 107 ALA 108 ILE 109 VAL 110 ASP 111 GLN 112 ARG 113 PRO 114 SER 115 SER 116 ARG 117 ALA 118 SER 119 SER 120 ARG 121 ALA 122 SER 123 SER 124 ARG 125 PRO 126 ARG 127 PRO 128 ASP 129 ASP 130 LEU 131 GLU 132 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 18552 TM4-Cx43CT 100.00 207 99.24 99.24 7.80e-88 PDB 1R5S "Connexin 43 Carboxyl Terminal Domain" 100.00 132 100.00 100.00 2.64e-90 DBJ BAC26375 "unnamed protein product [Mus musculus]" 100.00 382 98.48 99.24 2.37e-86 DBJ BAC29656 "unnamed protein product [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 DBJ BAC38285 "unnamed protein product [Mus musculus]" 81.82 108 99.07 100.00 1.15e-70 DBJ BAE26592 "unnamed protein product [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 DBJ BAE38502 "unnamed protein product [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 EMBL CAA29855 "unnamed protein product [Rattus norvegicus]" 100.00 382 99.24 99.24 5.67e-87 EMBL CAA43778 "connexin 43 [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 EMBL CAA44640 "Connexin 43 [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 EMBL CAA60018 "connexin43 [Sus scrofa]" 66.67 92 97.73 97.73 2.11e-53 EMBL CAJ18535 "Npm1 [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 GB AAA37444 "connexin 43 [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 GB AAH06894 "Gap junction protein, alpha 1 [Mus musculus]" 100.00 382 98.48 99.24 3.94e-86 GB AAH55375 "Gja1 protein [Mus musculus]" 100.00 434 98.48 99.24 1.29e-85 GB AAH81842 "Gap junction protein, alpha 1 [Rattus norvegicus]" 100.00 382 99.24 99.24 5.67e-87 GB AAM34255 "connexin 47 [Mesocricetus auratus]" 50.00 160 96.97 98.48 2.06e-36 PRF 1404339A "connexin 43" 100.00 382 99.24 99.24 5.67e-87 PRF 1714172A "connexin 43" 100.00 382 99.24 99.24 5.86e-87 REF NP_001002951 "gap junction alpha-1 protein [Canis lupus familiaris]" 100.00 382 97.73 99.24 6.27e-86 REF NP_001166219 "gap junction alpha-1 protein [Cavia porcellus]" 100.00 382 96.97 99.24 2.06e-85 REF NP_001185877 "gap junction alpha-1 protein [Oryctolagus cuniculus]" 100.00 382 97.73 99.24 4.94e-86 REF NP_001231004 "gap junction alpha-1 protein [Cricetulus griseus]" 100.00 382 98.48 99.24 2.37e-86 REF NP_001231141 "gap junction alpha-1 protein [Sus scrofa]" 100.00 382 96.97 98.48 4.90e-85 SP A6XKM2 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43 [Ursus americanus]" 100.00 382 96.97 98.48 2.08e-85 SP P08050 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43; AltName: Full=Gap junction 43 kDa heart prot" 100.00 382 99.24 99.24 5.67e-87 SP P23242 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43; AltName: Full=Gap junction 43 kDa heart prot" 100.00 382 98.48 99.24 3.94e-86 SP Q29101 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43 [Sus scrofa]" 100.00 382 96.97 98.48 6.77e-85 SP Q6S9C0 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43 [Canis lupus familiaris]" 100.00 382 96.97 99.24 3.54e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 _Vector_name $Cx43CT 'recombinant technology' . . . . . 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 _Concentration_min_value _Isotopic_labeling $Cx43CT . mM 1.5 '[U-95% 13C; U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 .2 n/a temperature 280 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Cx43CT _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 . 2 PRO CA C 63.175 0.05 1 2 . 2 PRO HA H 4.484 0.02 1 3 . 2 PRO CB C 32.606 0.05 1 4 . 2 PRO C C 177.000 0.05 1 5 . 3 LEU N N 122.738 0.05 1 6 . 3 LEU H H 8.681 0.02 1 7 . 3 LEU CA C 55.438 0.05 1 8 . 3 LEU HA H 4.354 0.02 1 9 . 3 LEU CB C 42.276 0.05 1 10 . 3 LEU HB3 H 1.679 0.02 2 11 . 3 LEU HB2 H 1.616 0.02 2 12 . 3 LEU CG C 26.999 0.05 1 13 . 3 LEU HG H 1.600 0.02 1 14 . 3 LEU CD1 C 23.637 0.05 1 15 . 3 LEU HD1 H 0.903 0.02 2 16 . 3 LEU C C 177.998 0.05 1 17 . 4 GLY N N 110.088 0.05 1 18 . 4 GLY H H 8.524 0.02 1 19 . 4 GLY CA C 45.024 0.05 1 20 . 4 GLY HA2 H 3.958 0.02 2 21 . 4 GLY C C 173.828 0.05 1 22 . 5 SER N N 117.067 0.05 1 23 . 5 SER H H 8.309 0.02 1 24 . 5 SER CA C 56.452 0.05 1 25 . 5 SER HA H 4.763 0.02 1 26 . 5 SER CB C 63.275 0.05 1 27 . 5 SER HB3 H 3.877 0.02 2 28 . 5 SER HB2 H 3.836 0.02 2 29 . 5 SER C C 172.725 0.05 1 30 . 6 PRO CA C 63.250 0.05 1 31 . 6 PRO HA H 4.411 0.02 1 32 . 6 PRO CB C 32.012 0.05 1 33 . 6 PRO HB3 H 1.938 0.02 2 34 . 6 PRO HB2 H 2.303 0.02 2 35 . 6 PRO CD C 50.702 0.05 1 36 . 6 PRO HD2 H 3.715 0.02 2 37 . 6 PRO C C 177.076 0.05 1 38 . 7 SER N N 116.587 0.05 1 39 . 7 SER H H 8.530 0.02 1 40 . 7 SER CA C 58.360 0.05 1 41 . 7 SER HA H 4.467 0.02 1 42 . 7 SER CB C 63.815 0.05 1 43 . 7 SER HB2 H 3.864 0.02 2 44 . 7 SER C C 174.871 0.05 1 45 . 8 LYS N N 123.684 0.05 1 46 . 8 LYS H H 8.533 0.02 1 47 . 8 LYS CA C 56.491 0.05 1 48 . 8 LYS HA H 4.306 0.02 1 49 . 8 LYS CB C 32.988 0.05 1 50 . 8 LYS HB3 H 1.768 0.02 2 51 . 8 LYS HB2 H 1.851 0.02 2 52 . 8 LYS CG C 24.856 0.05 1 53 . 8 LYS HG2 H 1.422 0.02 2 54 . 8 LYS CD C 28.844 0.05 1 55 . 8 LYS HD2 H 1.689 0.02 2 56 . 8 LYS CE C 42.276 0.05 1 57 . 8 LYS HE2 H 3.019 0.02 2 58 . 8 LYS C C 174.819 0.05 1 59 . 9 ASP N N 121.466 0.05 1 60 . 9 ASP H H 8.464 0.02 1 61 . 9 ASP CA C 54.418 0.05 1 62 . 9 ASP HA H 4.588 0.02 1 63 . 9 ASP CB C 41.143 0.05 1 64 . 9 ASP HB3 H 2.624 0.02 2 65 . 9 ASP HB2 H 2.737 0.02 2 66 . 9 ASP C C 176.510 0.05 1 67 . 10 CYS N N 120.161 0.05 1 68 . 10 CYS H H 8.439 0.02 1 69 . 10 CYS CA C 58.851 0.05 1 70 . 10 CYS HA H 4.470 0.02 1 71 . 10 CYS CB C 28.082 0.05 1 72 . 10 CYS HB3 H 2.942 0.02 2 73 . 10 CYS HB2 H 3.193 0.02 2 74 . 10 CYS C C 175.064 0.05 1 75 . 11 GLY N N 111.180 0.05 1 76 . 11 GLY H H 8.611 0.02 1 77 . 11 GLY CA C 45.117 0.05 1 78 . 11 GLY HA2 H 3.975 0.02 2 79 . 11 GLY C C 173.878 0.05 1 80 . 12 SER N N 117.071 0.05 1 81 . 12 SER H H 8.249 0.02 1 82 . 12 SER CA C 56.318 0.05 1 83 . 12 SER HA H 4.745 0.02 1 84 . 12 SER CB C 63.393 0.05 1 85 . 12 SER HB2 H 3.844 0.02 2 86 . 12 SER C C 172.726 0.05 1 87 . 13 PRO CA C 63.272 0.05 1 88 . 13 PRO HA H 4.455 0.02 1 89 . 13 PRO CB C 31.978 0.05 1 90 . 13 PRO HB2 H 2.213 0.02 2 91 . 13 PRO HD2 H 3.677 0.02 2 92 . 13 PRO C C 177.400 0.05 1 93 . 14 LYS N N 121.279 0.05 1 94 . 14 LYS H H 8.397 0.02 1 95 . 14 LYS CA C 56.397 0.05 1 96 . 14 LYS HA H 4.360 0.02 1 97 . 14 LYS CB C 32.979 0.05 1 98 . 14 LYS HB3 H 1.770 0.02 2 99 . 14 LYS HB2 H 1.960 0.02 2 100 . 14 LYS HG2 H 1.436 0.02 2 101 . 14 LYS HD2 H 1.685 0.02 2 102 . 14 LYS HE2 H 2.994 0.02 2 103 . 14 LYS C C 176.271 0.05 1 104 . 15 TYR N N 120.342 0.05 1 105 . 15 TYR H H 8.082 0.02 1 106 . 15 TYR CA C 57.597 0.05 1 107 . 15 TYR HA H 4.531 0.02 1 108 . 15 TYR CB C 38.858 0.05 1 109 . 15 TYR HB3 H 2.826 0.02 2 110 . 15 TYR HB2 H 2.956 0.02 2 111 . 15 TYR HD1 H 7.035 0.02 3 112 . 15 TYR C C 175.214 0.05 1 113 . 16 ALA N N 125.381 0.05 1 114 . 16 ALA H H 8.219 0.02 1 115 . 16 ALA CA C 52.190 0.05 1 116 . 16 ALA HA H 4.249 0.02 1 117 . 16 ALA CB C 19.523 0.05 1 118 . 16 ALA HB H 1.235 0.02 1 119 . 16 ALA C C 176.792 0.05 1 120 . 17 TYR N N 119.404 0.05 1 121 . 17 TYR H H 8.031 0.02 1 122 . 17 TYR CA C 57.923 0.05 1 123 . 17 TYR HA H 4.605 0.02 1 124 . 17 TYR CB C 38.848 0.05 1 125 . 17 TYR HB3 H 2.916 0.02 2 126 . 17 TYR HB2 H 3.187 0.02 2 127 . 17 TYR C C 175.469 0.05 1 128 . 18 PHE N N 122.428 0.05 1 129 . 18 PHE H H 8.193 0.02 1 130 . 18 PHE CA C 57.674 0.05 1 131 . 18 PHE HA H 4.586 0.02 1 132 . 18 PHE CB C 39.780 0.05 1 133 . 18 PHE HB2 H 3.009 0.02 2 134 . 18 PHE HD1 H 7.001 0.02 3 135 . 18 PHE HE1 H 7.225 0.02 3 136 . 18 PHE C C 175.290 0.05 1 137 . 19 ASN N N 121.692 0.05 1 138 . 19 ASN H H 8.462 0.02 1 139 . 19 ASN CA C 53.188 0.05 1 140 . 19 ASN HA H 4.616 0.02 1 141 . 19 ASN CB C 38.716 0.05 1 142 . 19 ASN HB2 H 2.746 0.02 2 143 . 19 ASN ND2 N 112.888 0.05 1 144 . 19 ASN HD21 H 6.946 0.02 2 145 . 19 ASN HD22 H 7.647 0.02 2 146 . 19 ASN C C 176.300 0.05 1 147 . 20 GLY N N 108.665 0.05 1 148 . 20 GLY H H 7.832 0.02 1 149 . 20 GLY CA C 45.525 0.05 1 150 . 20 GLY HA3 H 3.836 0.02 2 151 . 20 GLY HA2 H 3.946 0.02 2 152 . 20 GLY C C 174.121 0.05 1 153 . 21 CYS N N 118.848 0.05 1 154 . 21 CYS H H 8.179 0.02 1 155 . 21 CYS CA C 58.489 0.05 1 156 . 21 CYS HA H 4.555 0.02 1 157 . 21 CYS CB C 28.251 0.05 1 158 . 21 CYS HB3 H 2.887 0.02 2 159 . 21 CYS HB2 H 3.134 0.02 2 160 . 21 CYS C C 174.442 0.05 1 161 . 22 SER N N 118.678 0.05 1 162 . 22 SER H H 8.589 0.02 1 163 . 22 SER CA C 58.398 0.05 1 164 . 22 SER HA H 4.548 0.02 1 165 . 22 SER CB C 63.832 0.05 1 166 . 22 SER HB2 H 3.845 0.02 2 167 . 22 SER C C 174.062 0.05 1 168 . 23 SER N N 118.844 0.05 1 169 . 23 SER H H 8.377 0.02 1 170 . 23 SER CA C 56.345 0.05 1 171 . 23 SER HA H 4.466 0.02 1 172 . 23 SER CB C 63.607 0.05 1 173 . 23 SER HB3 H 3.713 0.02 2 174 . 23 SER HB2 H 3.827 0.02 2 175 . 23 SER C C 172.758 0.05 1 176 . 24 PRO CA C 63.309 0.05 1 177 . 24 PRO HA H 4.470 0.02 1 178 . 24 PRO CB C 32.036 0.05 1 179 . 24 PRO HB3 H 1.962 0.02 2 180 . 24 PRO HB2 H 2.266 0.02 2 181 . 24 PRO CD C 50.702 0.05 1 182 . 24 PRO HD2 H 3.680 0.02 2 183 . 24 PRO C C 177.054 0.05 1 184 . 25 THR N N 114.176 0.05 1 185 . 25 THR H H 8.255 0.02 1 186 . 25 THR CA C 61.527 0.05 1 187 . 25 THR HA H 4.307 0.02 1 188 . 25 THR CB C 70.039 0.05 1 189 . 25 THR HB H 4.187 0.02 1 190 . 25 THR CG2 C 21.761 0.05 1 191 . 25 THR HG2 H 1.196 0.02 1 192 . 25 THR C C 174.156 0.05 1 193 . 26 ALA N N 128.188 0.05 1 194 . 26 ALA H H 8.308 0.02 1 195 . 26 ALA CA C 50.679 0.05 1 196 . 26 ALA HA H 4.553 0.02 1 197 . 26 ALA CB C 18.309 0.05 1 198 . 26 ALA HB H 1.344 0.02 1 199 . 26 ALA C C 175.392 0.05 1 200 . 27 PRO CA C 63.070 0.05 1 201 . 27 PRO HA H 4.406 0.02 1 202 . 27 PRO CB C 32.331 0.05 1 203 . 27 PRO HB3 H 2.049 0.02 2 204 . 27 PRO HB2 H 2.277 0.02 2 205 . 27 PRO CD C 50.702 0.05 1 206 . 27 PRO HD2 H 3.654 0.02 2 207 . 27 PRO C C 176.244 0.05 1 208 . 28 LEU N N 123.207 0.05 1 209 . 28 LEU H H 8.717 0.02 1 210 . 28 LEU CA C 56.103 0.05 1 211 . 28 LEU HA H 4.420 0.02 1 212 . 28 LEU CB C 42.157 0.05 1 213 . 28 LEU HB2 H 1.679 0.02 2 214 . 28 LEU CG C 27.086 0.05 1 215 . 28 LEU HG H 1.648 0.02 1 216 . 28 LEU CD1 C 24.206 0.05 1 217 . 28 LEU HD1 H 0.940 0.02 2 218 . 28 LEU CD2 C 24.206 0.05 1 219 . 28 LEU HD2 H 0.897 0.02 2 220 . 28 LEU C C 177.173 0.05 1 221 . 29 SER N N 118.251 0.05 1 222 . 29 SER H H 8.468 0.02 1 223 . 29 SER CA C 58.560 0.05 1 224 . 29 SER HA H 4.632 0.02 1 225 . 29 SER CB C 63.690 0.05 1 226 . 29 SER HB2 H 3.756 0.02 2 227 . 29 SER C C 172.746 0.05 1 228 . 30 PRO CA C 63.221 0.05 1 229 . 30 PRO HA H 4.430 0.02 1 230 . 30 PRO CB C 32.010 0.05 1 231 . 30 PRO C C 176.051 0.05 1 232 . 31 MET N N 119.996 0.05 1 233 . 31 MET H H 8.498 0.02 1 234 . 31 MET CA C 55.229 0.05 1 235 . 31 MET HA H 4.610 0.02 1 236 . 31 MET CB C 32.641 0.05 1 237 . 31 MET HB3 H 2.154 0.02 2 238 . 31 MET HB2 H 1.994 0.02 2 239 . 31 MET CG C 32.045 0.05 1 240 . 31 MET HG3 H 2.627 0.02 1 241 . 31 MET HG2 H 2.627 0.02 1 242 . 31 MET CE C 16.858 0.05 1 243 . 31 MET HE H 2.098 0.02 1 244 . 31 MET C C 176.104 0.05 1 245 . 32 SER N N 119.026 0.05 1 246 . 32 SER H H 8.370 0.02 1 247 . 32 SER CA C 56.300 0.05 1 248 . 32 SER HA H 4.691 0.02 1 249 . 32 SER CB C 63.088 0.05 1 250 . 32 SER HB3 H 3.843 0.02 2 251 . 32 SER HB2 H 3.729 0.02 2 252 . 32 SER C C 174.000 0.05 1 253 . 33 PRO CA C 63.378 0.05 1 254 . 33 PRO HA H 4.369 0.02 1 255 . 33 PRO CB C 31.985 0.05 1 256 . 33 PRO HB3 H 2.013 0.02 2 257 . 33 PRO HB2 H 2.290 0.02 2 258 . 33 PRO CD C 50.702 0.05 1 259 . 33 PRO HD2 H 3.614 0.02 2 260 . 33 PRO C C 177.400 0.05 1 261 . 34 PRO CA C 63.333 0.05 1 262 . 34 PRO HA H 4.383 0.02 1 263 . 34 PRO CB C 31.909 0.05 1 264 . 34 PRO HB3 H 2.011 0.02 2 265 . 34 PRO HB2 H 2.258 0.02 2 266 . 34 PRO CD C 50.702 0.05 1 267 . 34 PRO HD2 H 3.623 0.02 2 268 . 34 PRO C C 177.552 0.05 1 269 . 35 GLY N N 109.550 0.05 1 270 . 35 GLY H H 8.607 0.02 1 271 . 35 GLY CA C 44.174 0.05 1 272 . 35 GLY HA2 H 3.886 0.02 2 273 . 35 GLY C C 173.955 0.05 1 274 . 36 TYR N N 120.358 0.05 1 275 . 36 TYR H H 7.973 0.02 1 276 . 36 TYR CA C 58.193 0.05 1 277 . 36 TYR HA H 4.511 0.02 1 278 . 36 TYR CB C 38.833 0.05 1 279 . 36 TYR HB3 H 2.987 0.02 2 280 . 36 TYR HB2 H 3.114 0.02 2 281 . 36 TYR HD1 H 7.055 0.02 3 282 . 36 TYR HD2 H 6.789 0.02 3 283 . 36 TYR C C 175.460 0.05 1 284 . 37 LYS N N 124.009 0.05 1 285 . 37 LYS H H 8.177 0.02 1 286 . 37 LYS CA C 55.761 0.05 1 287 . 37 LYS HA H 4.224 0.02 1 288 . 37 LYS CB C 33.276 0.05 1 289 . 37 LYS HB3 H 1.729 0.02 2 290 . 37 LYS HB2 H 1.634 0.02 2 291 . 37 LYS CG C 29.006 0.05 1 292 . 37 LYS HG2 H 1.310 0.02 2 293 . 37 LYS CE C 42.254 0.05 1 294 . 37 LYS HE2 H 2.974 0.02 2 295 . 37 LYS C C 175.390 0.05 1 296 . 38 LEU N N 124.108 0.05 1 297 . 38 LEU H H 8.235 0.02 1 298 . 38 LEU CA C 55.222 0.05 1 299 . 38 LEU HA H 4.332 0.02 1 300 . 38 LEU CB C 42.510 0.05 1 301 . 38 LEU HB2 H 1.665 0.02 2 302 . 38 LEU CG C 24.580 0.05 1 303 . 38 LEU HG H 1.670 0.02 1 304 . 38 LEU CD1 C 24.870 0.05 1 305 . 38 LEU HD1 H 0.920 0.02 2 306 . 38 LEU C C 177.226 0.05 1 307 . 39 VAL N N 122.629 0.05 1 308 . 39 VAL H H 8.383 0.02 1 309 . 39 VAL CA C 62.147 0.05 1 310 . 39 VAL HA H 4.207 0.02 1 311 . 39 VAL CB C 32.673 0.05 1 312 . 39 VAL HB H 2.100 0.02 1 313 . 39 VAL CG2 C 20.994 0.05 1 314 . 39 VAL HG2 H 0.920 0.02 2 315 . 39 VAL CG1 C 24.580 0.05 1 316 . 39 VAL HG1 H 1.422 0.02 2 317 . 39 VAL C C 176.383 0.05 1 318 . 40 THR N N 118.180 0.05 1 319 . 40 THR H H 8.337 0.02 1 320 . 40 THR CA C 61.937 0.05 1 321 . 40 THR HA H 4.335 0.02 1 322 . 40 THR CB C 69.987 0.05 1 323 . 40 THR HB H 4.201 0.02 1 324 . 40 THR CG2 C 21.798 0.05 1 325 . 40 THR HG2 H 1.186 0.02 1 326 . 40 THR C C 175.072 0.05 1 327 . 41 GLY N N 111.222 0.05 1 328 . 41 GLY H H 8.493 0.02 1 329 . 41 GLY CA C 45.198 0.05 1 330 . 41 GLY HA2 H 3.975 0.02 2 331 . 41 GLY C C 173.730 0.05 1 332 . 42 ASP N N 120.662 0.05 1 333 . 42 ASP H H 8.351 0.02 1 334 . 42 ASP CA C 54.227 0.05 1 335 . 42 ASP HA H 4.591 0.02 1 336 . 42 ASP CB C 41.217 0.05 1 337 . 42 ASP HB3 H 2.710 0.02 2 338 . 42 ASP HB2 H 2.647 0.02 2 339 . 42 ASP C C 177.400 0.05 1 340 . 43 ARG N N 121.815 0.05 1 341 . 43 ARG H H 8.522 0.02 1 342 . 43 ARG CA C 56.378 0.05 1 343 . 43 ARG HA H 4.269 0.02 1 344 . 43 ARG CB C 30.561 0.05 1 345 . 43 ARG HB3 H 1.787 0.02 2 346 . 43 ARG HB2 H 1.938 0.02 2 347 . 43 ARG CG C 29.198 0.05 1 348 . 43 ARG HG2 H 1.627 0.02 2 349 . 43 ARG CD C 43.406 0.05 1 350 . 43 ARG HD2 H 3.181 0.02 2 351 . 43 ARG C C 176.428 0.05 1 352 . 44 ASN N N 118.946 0.05 1 353 . 44 ASN H H 8.574 0.02 1 354 . 44 ASN CA C 53.169 0.05 1 355 . 44 ASN HA H 4.682 0.02 1 356 . 44 ASN CB C 38.752 0.05 1 357 . 44 ASN HB3 H 2.767 0.02 2 358 . 44 ASN HB2 H 2.847 0.02 2 359 . 44 ASN ND2 N 113.650 0.05 1 360 . 44 ASN HD21 H 7.025 0.02 2 361 . 44 ASN HD22 H 7.785 0.02 2 362 . 44 ASN C C 175.085 0.05 1 363 . 45 ASN N N 119.471 0.05 1 364 . 45 ASN H H 8.391 0.02 1 365 . 45 ASN CA C 53.338 0.05 1 366 . 45 ASN HA H 4.720 0.02 1 367 . 45 ASN CB C 38.823 0.05 1 368 . 45 ASN HB3 H 2.822 0.02 2 369 . 45 ASN HB2 H 2.878 0.02 2 370 . 45 ASN ND2 N 113.468 0.05 1 371 . 45 ASN HD21 H 7.008 0.02 2 372 . 45 ASN HD22 H 7.762 0.02 2 373 . 45 ASN C C 175.680 0.05 1 374 . 46 SER N N 116.458 0.05 1 375 . 46 SER H H 8.478 0.02 1 376 . 46 SER CA C 59.037 0.05 1 377 . 46 SER HA H 4.448 0.02 1 378 . 46 SER CB C 63.811 0.05 1 379 . 46 SER HB2 H 3.855 0.02 2 380 . 46 SER C C 174.883 0.05 1 381 . 47 SER N N 117.775 0.05 1 382 . 47 SER H H 8.481 0.02 1 383 . 47 SER CA C 58.936 0.05 1 384 . 47 SER HA H 4.462 0.02 1 385 . 47 SER CB C 63.711 0.05 1 386 . 47 SER HB2 H 3.916 0.02 2 387 . 47 SER C C 174.678 0.05 1 388 . 48 CYS N N 120.799 0.05 1 389 . 48 CYS H H 8.295 0.02 1 390 . 48 CYS CA C 59.068 0.05 1 391 . 48 CYS HA H 4.496 0.02 1 392 . 48 CYS CB C 26.391 0.05 1 393 . 48 CYS HB2 H 2.950 0.02 2 394 . 48 CYS C C 174.690 0.05 1 395 . 49 ARG N N 123.334 0.05 1 396 . 49 ARG H H 8.414 0.02 1 397 . 49 ARG CA C 56.378 0.05 1 398 . 49 ARG HA H 4.259 0.02 1 399 . 49 ARG CB C 30.654 0.05 1 400 . 49 ARG HB3 H 1.758 0.02 2 401 . 49 ARG HB2 H 1.886 0.02 2 402 . 49 ARG CG C 27.086 0.05 1 403 . 49 ARG HG2 H 1.638 0.02 2 404 . 49 ARG CD C 43.406 0.05 1 405 . 49 ARG HD2 H 3.204 0.02 2 406 . 49 ARG C C 176.356 0.05 1 407 . 50 ASN N N 119.349 0.05 1 408 . 50 ASN H H 8.416 0.02 1 409 . 50 ASN CA C 54.425 0.05 1 410 . 50 ASN HA H 4.692 0.02 1 411 . 50 ASN CB C 40.756 0.05 1 412 . 50 ASN HB3 H 2.738 0.02 2 413 . 50 ASN HB2 H 2.888 0.02 2 414 . 50 ASN ND2 N 113.044 0.05 1 415 . 50 ASN HD21 H 7.012 0.02 2 416 . 50 ASN HD22 H 7.686 0.02 2 417 . 50 ASN C C 175.050 0.05 1 418 . 51 TYR N N 121.438 0.05 1 419 . 51 TYR H H 8.251 0.02 1 420 . 51 TYR CA C 58.424 0.05 1 421 . 51 TYR HA H 4.466 0.02 1 422 . 51 TYR CB C 38.519 0.05 1 423 . 51 TYR HB3 H 2.941 0.02 2 424 . 51 TYR HB2 H 3.047 0.02 2 425 . 51 TYR C C 175.500 0.05 1 426 . 52 ASN N N 120.675 0.05 1 427 . 52 ASN H H 8.412 0.02 1 428 . 52 ASN CA C 53.223 0.05 1 429 . 52 ASN HA H 4.610 0.02 1 430 . 52 ASN CB C 38.781 0.05 1 431 . 52 ASN HB3 H 2.802 0.02 2 432 . 52 ASN HB2 H 2.703 0.02 2 433 . 52 ASN ND2 N 113.157 0.05 1 434 . 52 ASN HD21 H 6.961 0.02 2 435 . 52 ASN HD22 H 7.629 0.02 2 436 . 52 ASN C C 174.870 0.05 1 437 . 53 LYS N N 122.530 0.05 1 438 . 53 LYS H H 8.296 0.02 1 439 . 53 LYS CA C 56.650 0.05 1 440 . 53 LYS HA H 4.162 0.02 1 441 . 53 LYS CB C 32.800 0.05 1 442 . 53 LYS HB2 H 1.780 0.02 2 443 . 53 LYS CG C 24.782 0.05 1 444 . 53 LYS HG2 H 1.398 0.02 2 445 . 53 LYS CE C 42.105 0.05 1 446 . 53 LYS HE2 H 3.017 0.02 2 447 . 53 LYS C C 176.915 0.05 1 448 . 54 GLN N N 120.818 0.05 1 449 . 54 GLN H H 8.411 0.02 1 450 . 54 GLN CA C 56.373 0.05 1 451 . 54 GLN HA H 4.462 0.02 1 452 . 54 GLN CB C 29.071 0.05 1 453 . 54 GLN HB3 H 2.061 0.02 2 454 . 54 GLN HB2 H 1.977 0.02 2 455 . 54 GLN CG C 33.891 0.05 1 456 . 54 GLN HG2 H 2.378 0.02 2 457 . 54 GLN NE2 N 113.155 0.05 1 458 . 54 GLN HE21 H 7.004 0.02 2 459 . 54 GLN HE22 H 7.665 0.02 2 460 . 54 GLN C C 176.570 0.05 1 461 . 55 ALA N N 124.723 0.05 1 462 . 55 ALA H H 8.351 0.02 1 463 . 55 ALA CA C 53.231 0.05 1 464 . 55 ALA HA H 4.230 0.02 1 465 . 55 ALA CB C 18.960 0.05 1 466 . 55 ALA HB H 1.373 0.02 1 467 . 55 ALA C C 178.421 0.05 1 468 . 56 SER N N 114.582 0.05 1 469 . 56 SER H H 8.295 0.02 1 470 . 56 SER CA C 59.133 0.05 1 471 . 56 SER HA H 4.500 0.02 1 472 . 56 SER CB C 63.703 0.05 1 473 . 56 SER HB2 H 3.900 0.02 2 474 . 56 SER C C 174.887 0.05 1 475 . 57 GLU N N 122.334 0.05 1 476 . 57 GLU H H 8.394 0.02 1 477 . 57 GLU CA C 57.071 0.05 1 478 . 57 GLU HA H 4.333 0.02 1 479 . 57 GLU CB C 29.977 0.05 1 480 . 57 GLU HB3 H 1.933 0.02 2 481 . 57 GLU HB2 H 2.059 0.02 2 482 . 57 GLU CG C 33.900 0.05 1 483 . 57 GLU HG3 H 2.223 0.02 2 484 . 57 GLU HG2 H 2.302 0.02 2 485 . 57 GLU C C 177.028 0.05 1 486 . 58 GLN N N 120.348 0.05 1 487 . 58 GLN H H 8.276 0.02 1 488 . 58 GLN CA C 56.359 0.05 1 489 . 58 GLN HA H 4.193 0.02 1 490 . 58 GLN CB C 32.582 0.05 1 491 . 58 GLN HB3 H 2.056 0.02 2 492 . 58 GLN HB2 H 1.849 0.02 2 493 . 58 GLN CG C 29.237 0.05 1 494 . 58 GLN HG2 H 2.379 0.02 2 495 . 58 GLN NE2 N 112.922 0.05 1 496 . 58 GLN HE21 H 6.915 0.02 2 497 . 58 GLN HE22 H 7.478 0.02 2 498 . 58 GLN C C 176.900 0.05 1 499 . 59 ASN N N 119.471 0.05 1 500 . 59 ASN H H 8.391 0.02 1 501 . 59 ASN CA C 54.462 0.05 1 502 . 59 ASN HA H 4.691 0.02 1 503 . 59 ASN CB C 38.609 0.05 1 504 . 59 ASN HB3 H 2.783 0.02 2 505 . 59 ASN HB2 H 2.859 0.02 2 506 . 59 ASN ND2 N 113.439 0.05 1 507 . 59 ASN HD21 H 7.012 0.02 2 508 . 59 ASN HD22 H 7.763 0.02 2 509 . 59 ASN C C 175.520 0.05 1 510 . 60 TRP N N 121.937 0.05 1 511 . 60 TRP H H 8.207 0.02 1 512 . 60 TRP CA C 58.027 0.05 1 513 . 60 TRP HA H 4.574 0.02 1 514 . 60 TRP CB C 29.349 0.05 1 515 . 60 TRP HB3 H 3.313 0.02 2 516 . 60 TRP HB2 H 3.295 0.02 2 517 . 60 TRP NE1 N 129.244 0.05 1 518 . 60 TRP HE1 H 10.151 0.02 4 519 . 60 TRP HZ2 H 7.226 0.02 4 520 . 60 TRP HZ3 H 7.427 0.02 4 521 . 60 TRP HE3 H 7.009 0.02 4 522 . 60 TRP C C 176.125 0.05 1 523 . 61 ALA N N 124.108 0.05 1 524 . 61 ALA H H 8.235 0.02 1 525 . 61 ALA CA C 53.522 0.05 1 526 . 61 ALA HA H 4.337 0.02 1 527 . 61 ALA CB C 18.812 0.05 1 528 . 61 ALA HB H 1.256 0.02 1 529 . 61 ALA C C 178.020 0.05 1 530 . 62 ASN N N 116.872 0.05 1 531 . 62 ASN H H 8.170 0.02 1 532 . 62 ASN CA C 53.740 0.05 1 533 . 62 ASN HA H 4.582 0.02 1 534 . 62 ASN CB C 38.417 0.05 1 535 . 62 ASN HB3 H 2.673 0.02 2 536 . 62 ASN HB2 H 2.782 0.02 2 537 . 62 ASN HD21 H 7.013 0.02 2 538 . 62 ASN HD22 H 7.683 0.02 2 539 . 62 ASN C C 175.468 0.05 1 540 . 63 TYR N N 121.300 0.05 1 541 . 63 TYR H H 8.108 0.02 1 542 . 63 TYR CA C 58.919 0.05 1 543 . 63 TYR HA H 4.564 0.02 1 544 . 63 TYR CB C 38.764 0.05 1 545 . 63 TYR HB2 H 2.990 0.02 2 546 . 63 TYR HD1 H 7.011 0.02 1 547 . 63 TYR HE1 H 6.758 0.02 1 548 . 63 TYR HE2 H 6.758 0.02 1 549 . 63 TYR HD2 H 7.011 0.02 1 550 . 63 TYR C C 176.456 0.05 1 551 . 64 SER N N 117.246 0.05 1 552 . 64 SER H H 8.293 0.02 1 553 . 64 SER CA C 58.828 0.05 1 554 . 64 SER HA H 4.263 0.02 1 555 . 64 SER CB C 63.812 0.05 1 556 . 64 SER HB2 H 3.714 0.02 2 557 . 64 SER C C 174.927 0.05 1 558 . 65 ALA N N 125.726 0.05 1 559 . 65 ALA H H 8.313 0.02 1 560 . 65 ALA CA C 53.742 0.05 1 561 . 65 ALA HA H 4.187 0.02 1 562 . 65 ALA CB C 18.848 0.05 1 563 . 65 ALA HB H 1.431 0.02 1 564 . 65 ALA C C 178.978 0.05 1 565 . 66 GLU N N 119.023 0.05 1 566 . 66 GLU H H 8.275 0.02 1 567 . 66 GLU CA C 57.585 0.05 1 568 . 66 GLU HA H 4.166 0.02 1 569 . 66 GLU CB C 29.653 0.05 1 570 . 66 GLU HB2 H 1.993 0.02 2 571 . 66 GLU CG C 33.903 0.05 1 572 . 66 GLU HG3 H 2.200 0.02 2 573 . 66 GLU HG2 H 2.257 0.02 2 574 . 66 GLU C C 177.607 0.05 1 575 . 67 GLN N N 119.780 0.05 1 576 . 67 GLN H H 8.206 0.02 1 577 . 67 GLN CA C 56.904 0.05 1 578 . 67 GLN HA H 4.142 0.02 1 579 . 67 GLN CB C 28.898 0.05 1 580 . 67 GLN HB3 H 1.980 0.02 2 581 . 67 GLN HB2 H 2.100 0.02 2 582 . 67 GLN HG2 H 2.233 0.02 2 583 . 67 GLN NE2 N 113.216 0.05 1 584 . 67 GLN HE21 H 6.915 0.02 2 585 . 67 GLN HE22 H 7.479 0.02 2 586 . 67 GLN C C 176.641 0.05 1 587 . 68 ASN N N 118.668 0.05 1 588 . 68 ASN H H 8.335 0.02 1 589 . 68 ASN CA C 53.868 0.05 1 590 . 68 ASN HA H 4.649 0.02 1 591 . 68 ASN CB C 38.652 0.05 1 592 . 68 ASN HB3 H 2.796 0.02 2 593 . 68 ASN HB2 H 2.840 0.02 2 594 . 68 ASN ND2 N 113.299 0.05 1 595 . 68 ASN HD21 H 6.990 0.02 2 596 . 68 ASN HD22 H 7.642 0.02 2 597 . 68 ASN C C 175.859 0.05 1 598 . 69 ARG N N 121.046 0.05 1 599 . 69 ARG H H 8.211 0.02 1 600 . 69 ARG CA C 56.989 0.05 1 601 . 69 ARG HA H 4.248 0.02 1 602 . 69 ARG CB C 30.412 0.05 1 603 . 69 ARG HB3 H 1.792 0.02 2 604 . 69 ARG HB2 H 1.874 0.02 2 605 . 69 ARG HG2 H 1.686 0.02 2 606 . 69 ARG HD2 H 3.300 0.02 2 607 . 69 ARG C C 176.963 0.05 1 608 . 70 MET N N 119.947 0.05 1 609 . 70 MET H H 8.332 0.02 1 610 . 70 MET CA C 56.400 0.05 1 611 . 70 MET HA H 4.420 0.02 1 612 . 70 MET CB C 32.195 0.05 1 613 . 70 MET HB2 H 2.058 0.02 2 614 . 70 MET CG C 32.579 0.05 1 615 . 70 MET HG3 H 2.536 0.02 1 616 . 70 MET HG2 H 2.536 0.02 1 617 . 70 MET CE C 16.910 0.05 1 618 . 70 MET HE H 2.096 0.02 1 619 . 70 MET C C 177.209 0.05 1 620 . 71 GLY N N 109.678 0.05 1 621 . 71 GLY H H 8.390 0.02 1 622 . 71 GLY CA C 45.577 0.05 1 623 . 71 GLY HA2 H 3.946 0.02 2 624 . 71 GLY C C 174.314 0.05 1 625 . 72 GLN N N 119.837 0.05 1 626 . 72 GLN H H 8.253 0.02 1 627 . 72 GLN CA C 56.200 0.05 1 628 . 72 GLN HA H 4.314 0.02 1 629 . 72 GLN CB C 29.420 0.05 1 630 . 72 GLN HB3 H 1.977 0.02 2 631 . 72 GLN HB2 H 2.113 0.02 2 632 . 72 GLN CG C 33.871 0.05 1 633 . 72 GLN HG2 H 2.381 0.02 2 634 . 72 GLN NE2 N 112.816 0.05 1 635 . 72 GLN HE21 H 6.972 0.02 2 636 . 72 GLN HE22 H 7.622 0.02 2 637 . 72 GLN C C 176.400 0.05 1 638 . 73 ALA N N 125.420 0.05 1 639 . 73 ALA H H 8.544 0.02 1 640 . 73 ALA CA C 53.189 0.05 1 641 . 73 ALA HA H 4.308 0.02 1 642 . 73 ALA CB C 19.008 0.05 1 643 . 73 ALA HB H 1.400 0.02 1 644 . 73 ALA C C 178.398 0.05 1 645 . 74 GLY N N 108.571 0.05 1 646 . 74 GLY H H 8.502 0.02 1 647 . 74 GLY CA C 45.235 0.05 1 648 . 74 GLY HA2 H 3.971 0.02 2 649 . 74 GLY C C 174.276 0.05 1 650 . 75 SER N N 115.633 0.05 1 651 . 75 SER H H 8.274 0.02 1 652 . 75 SER CA C 58.313 0.05 1 653 . 75 SER HA H 4.528 0.02 1 654 . 75 SER CB C 63.924 0.05 1 655 . 75 SER HB2 H 3.910 0.02 2 656 . 75 SER C C 174.930 0.05 1 657 . 76 THR N N 116.536 0.05 1 658 . 76 THR H H 8.406 0.02 1 659 . 76 THR CA C 62.020 0.05 1 660 . 76 THR HA H 4.392 0.02 1 661 . 76 THR CB C 69.939 0.05 1 662 . 76 THR HB H 4.284 0.02 1 663 . 76 THR CG2 C 21.722 0.05 1 664 . 76 THR HG2 H 1.210 0.02 1 665 . 76 THR C C 174.642 0.05 1 666 . 77 ILE N N 123.425 0.05 1 667 . 77 ILE H H 8.292 0.02 1 668 . 77 ILE CA C 61.293 0.05 1 669 . 77 ILE HA H 4.198 0.02 1 670 . 77 ILE CB C 38.704 0.05 1 671 . 77 ILE HB H 1.737 0.02 1 672 . 77 ILE CG1 C 27.417 0.05 2 673 . 77 ILE HG13 H 1.210 0.02 1 674 . 77 ILE HG12 H 1.495 0.02 1 675 . 77 ILE CD1 C 13.024 0.05 1 676 . 77 ILE HD1 H 0.810 0.02 1 677 . 77 ILE HG2 H 1.022 0.02 1 678 . 77 ILE C C 176.119 0.05 1 679 . 78 SER N N 120.084 0.05 1 680 . 78 SER H H 8.503 0.02 1 681 . 78 SER CA C 58.291 0.05 1 682 . 78 SER HA H 4.430 0.02 1 683 . 78 SER CB C 63.801 0.05 1 684 . 78 SER HB2 H 3.838 0.02 2 685 . 78 SER C C 174.428 0.05 1 686 . 79 ASN N N 121.482 0.05 1 687 . 79 ASN H H 8.571 0.02 1 688 . 79 ASN CA C 53.213 0.05 1 689 . 79 ASN HA H 4.740 0.02 1 690 . 79 ASN CB C 38.797 0.05 1 691 . 79 ASN HB2 H 2.800 0.02 2 692 . 79 ASN ND2 N 112.963 0.05 1 693 . 79 ASN HD21 H 7.013 0.02 2 694 . 79 ASN HD22 H 7.701 0.02 2 695 . 79 ASN C C 174.427 0.05 1 696 . 80 SER N N 116.301 0.05 1 697 . 80 SER H H 8.354 0.02 1 698 . 80 SER CA C 58.692 0.05 1 699 . 80 SER HA H 4.350 0.02 1 700 . 80 SER CB C 63.717 0.05 1 701 . 80 SER HB2 H 3.830 0.02 2 702 . 80 SER C C 174.545 0.05 1 703 . 81 HIS N N 120.370 0.05 1 704 . 81 HIS H H 8.553 0.02 1 705 . 81 HIS CA C 55.636 0.05 1 706 . 81 HIS HA H 4.704 0.02 1 707 . 81 HIS CB C 29.721 0.05 1 708 . 81 HIS HB3 H 3.131 0.02 2 709 . 81 HIS HB2 H 3.273 0.02 2 710 . 81 HIS HE1 H 7.242 0.02 3 711 . 81 HIS C C 174.094 0.05 1 712 . 82 ALA N N 125.046 0.05 1 713 . 82 ALA H H 8.328 0.02 1 714 . 82 ALA CA C 52.507 0.05 1 715 . 82 ALA HA H 4.292 0.02 1 716 . 82 ALA CB C 19.426 0.05 1 717 . 82 ALA HB H 1.355 0.02 1 718 . 82 ALA C C 177.484 0.05 1 719 . 83 GLN N N 121.107 0.05 1 720 . 83 GLN H H 8.529 0.02 1 721 . 83 GLN CA C 54.000 0.05 1 722 . 83 GLN HA H 4.556 0.02 1 723 . 83 GLN CB C 28.816 0.05 1 724 . 83 GLN HB3 H 1.845 0.02 2 725 . 83 GLN HB2 H 1.992 0.02 2 726 . 83 GLN CG C 32.078 0.05 1 727 . 83 GLN HG2 H 2.338 0.02 2 728 . 83 GLN NE2 N 113.212 0.05 1 729 . 83 GLN HE21 H 6.972 0.02 2 730 . 83 GLN HE22 H 7.630 0.02 2 731 . 83 GLN C C 174.267 0.05 1 732 . 84 PRO CA C 63.231 0.05 1 733 . 84 PRO HA H 4.512 0.02 1 734 . 84 PRO CB C 31.944 0.05 1 735 . 84 PRO HB3 H 1.933 0.02 2 736 . 84 PRO HB2 H 2.187 0.02 2 737 . 84 PRO CD C 50.702 0.05 1 738 . 84 PRO HD2 H 3.578 0.02 2 739 . 84 PRO C C 176.701 0.05 1 740 . 85 PHE N N 119.562 0.05 1 741 . 85 PHE H H 8.223 0.02 1 742 . 85 PHE CA C 57.505 0.05 1 743 . 85 PHE HA H 4.549 0.02 1 744 . 85 PHE CB C 39.456 0.05 1 745 . 85 PHE HB3 H 2.973 0.02 2 746 . 85 PHE HB2 H 3.141 0.02 2 747 . 85 PHE C C 175.062 0.05 1 748 . 86 ASP N N 121.668 0.05 1 749 . 86 ASP H H 8.119 0.02 1 750 . 86 ASP CA C 53.817 0.05 1 751 . 86 ASP HA H 4.523 0.02 1 752 . 86 ASP CB C 41.290 0.05 1 753 . 86 ASP HB2 H 2.462 0.02 2 754 . 86 ASP C C 175.110 0.05 1 755 . 87 PHE N N 121.430 0.05 1 756 . 87 PHE H H 8.175 0.02 1 757 . 87 PHE CA C 55.900 0.05 1 758 . 87 PHE HA H 4.811 0.02 1 759 . 87 PHE CB C 39.092 0.05 1 760 . 87 PHE HB3 H 2.905 0.02 2 761 . 87 PHE HB2 H 3.141 0.02 2 762 . 87 PHE HD1 H 7.163 0.02 3 763 . 87 PHE HE1 H 7.029 0.02 3 764 . 87 PHE HE2 H 7.285 0.02 3 765 . 87 PHE C C 173.976 0.05 1 766 . 88 PRO CA C 63.651 0.05 1 767 . 88 PRO HA H 4.387 0.02 1 768 . 88 PRO CB C 31.966 0.05 1 769 . 88 PRO HB3 H 1.970 0.02 2 770 . 88 PRO HB2 H 2.305 0.02 2 771 . 88 PRO CD C 50.702 0.05 1 772 . 88 PRO HD2 H 3.654 0.02 2 773 . 88 PRO C C 176.915 0.05 1 774 . 89 ASP N N 118.940 0.05 1 775 . 89 ASP H H 8.480 0.02 1 776 . 89 ASP CA C 54.429 0.05 1 777 . 89 ASP HA H 4.526 0.02 1 778 . 89 ASP CB C 40.756 0.05 1 779 . 89 ASP HB2 H 2.652 0.02 2 780 . 89 ASP C C 175.968 0.05 1 781 . 90 ASP N N 120.031 0.05 1 782 . 90 ASP H H 8.190 0.02 1 783 . 90 ASP CA C 54.530 0.05 1 784 . 90 ASP HA H 4.543 0.02 1 785 . 90 ASP CB C 41.090 0.05 1 786 . 90 ASP HB3 H 2.650 0.02 2 787 . 90 ASP HB2 H 2.751 0.02 2 788 . 90 ASP C C 176.557 0.05 1 789 . 91 ASN N N 119.057 0.05 1 790 . 91 ASN H H 8.527 0.02 1 791 . 91 ASN CA C 53.884 0.05 1 792 . 91 ASN HA H 4.677 0.02 1 793 . 91 ASN CB C 38.769 0.05 1 794 . 91 ASN HB2 H 2.867 0.02 2 795 . 91 ASN ND2 N 113.888 0.05 1 796 . 91 ASN HD21 H 7.035 0.02 2 797 . 91 ASN HD22 H 7.793 0.02 2 798 . 91 ASN C C 175.960 0.05 1 799 . 92 GLN N N 120.247 0.05 1 800 . 92 GLN H H 8.504 0.02 1 801 . 92 GLN CA C 56.919 0.05 1 802 . 92 GLN HA H 4.183 0.02 1 803 . 92 GLN CB C 28.784 0.05 1 804 . 92 GLN HB3 H 2.007 0.02 2 805 . 92 GLN HB2 H 2.137 0.02 2 806 . 92 GLN HG2 H 2.354 0.02 2 807 . 92 GLN NE2 N 113.738 0.05 1 808 . 92 GLN HE21 H 7.022 0.02 2 809 . 92 GLN HE22 H 7.789 0.02 2 810 . 92 GLN C C 176.500 0.05 1 811 . 93 ASN N N 118.670 0.05 1 812 . 93 ASN H H 8.441 0.02 1 813 . 93 ASN CA C 53.782 0.05 1 814 . 93 ASN HA H 4.627 0.02 1 815 . 93 ASN CB C 38.691 0.05 1 816 . 93 ASN HB3 H 2.760 0.02 2 817 . 93 ASN HB2 H 2.840 0.02 2 818 . 93 ASN ND2 N 113.866 0.05 1 819 . 93 ASN HD21 H 7.052 0.02 2 820 . 93 ASN HD22 H 7.795 0.02 2 821 . 93 ASN C C 175.463 0.05 1 822 . 94 ALA N N 123.801 0.05 1 823 . 94 ALA H H 8.197 0.02 1 824 . 94 ALA CA C 53.195 0.05 1 825 . 94 ALA HA H 4.224 0.02 1 826 . 94 ALA CB C 18.999 0.05 1 827 . 94 ALA HB H 1.394 0.02 1 828 . 94 ALA C C 178.299 0.05 1 829 . 95 LYS N N 120.029 0.05 1 830 . 95 LYS H H 8.254 0.02 1 831 . 95 LYS CA C 56.588 0.05 1 832 . 95 LYS HA H 4.223 0.02 1 833 . 95 LYS CB C 32.579 0.05 1 834 . 95 LYS HB3 H 1.845 0.02 2 835 . 95 LYS HB2 H 1.782 0.02 2 836 . 95 LYS CG C 24.900 0.05 1 837 . 95 LYS HG2 H 1.475 0.02 2 838 . 95 LYS CD C 29.099 0.05 1 839 . 95 LYS HD2 H 1.690 0.02 2 840 . 95 LYS CE C 42.216 0.05 1 841 . 95 LYS HE2 H 2.991 0.02 2 842 . 95 LYS C C 176.895 0.05 1 843 . 96 LYS N N 122.897 0.05 1 844 . 96 LYS H H 8.274 0.02 1 845 . 96 LYS CA C 56.563 0.05 1 846 . 96 LYS HA H 4.234 0.02 1 847 . 96 LYS CB C 33.001 0.05 1 848 . 96 LYS HB3 H 1.782 0.02 2 849 . 96 LYS HB2 H 1.812 0.02 2 850 . 96 LYS CG C 24.842 0.05 1 851 . 96 LYS HG2 H 1.404 0.02 2 852 . 96 LYS CD C 29.099 0.05 1 853 . 96 LYS HD2 H 1.694 0.02 2 854 . 96 LYS CE C 42.216 0.05 1 855 . 96 LYS HE2 H 3.001 0.02 2 856 . 96 LYS C C 177.077 0.05 1 857 . 97 VAL N N 122.128 0.05 1 858 . 97 VAL H H 8.287 0.02 1 859 . 97 VAL CA C 62.562 0.05 1 860 . 97 VAL HA H 4.031 0.02 1 861 . 97 VAL CB C 32.649 0.05 1 862 . 97 VAL HB H 2.028 0.02 1 863 . 97 VAL CG1 C 21.134 0.05 1 864 . 97 VAL HG1 H 0.932 0.02 2 865 . 97 VAL C C 176.257 0.05 1 866 . 98 ALA N N 128.119 0.05 1 867 . 98 ALA H H 8.470 0.02 1 868 . 98 ALA CA C 52.534 0.05 1 869 . 98 ALA HA H 4.262 0.02 1 870 . 98 ALA CB C 19.277 0.05 1 871 . 98 ALA HB H 1.365 0.02 1 872 . 98 ALA C C 177.420 0.05 1 873 . 99 ALA N N 123.824 0.05 1 874 . 99 ALA H H 8.391 0.02 1 875 . 99 ALA CA C 52.604 0.05 1 876 . 99 ALA HA H 4.267 0.02 1 877 . 99 ALA CB C 19.298 0.05 1 878 . 99 ALA HB H 1.385 0.02 1 879 . 99 ALA C C 178.553 0.05 1 880 . 100 GLY N N 108.562 0.05 1 881 . 100 GLY H H 8.548 0.02 1 882 . 100 GLY CA C 45.246 0.05 1 883 . 100 GLY HA2 H 3.934 0.02 2 884 . 100 GLY C C 174.270 0.05 1 885 . 101 HIS N N 118.172 0.05 1 886 . 101 HIS H H 8.418 0.02 1 887 . 101 HIS CA C 56.321 0.05 1 888 . 101 HIS HA H 4.713 0.02 1 889 . 101 HIS CB C 29.995 0.05 1 890 . 101 HIS HB3 H 3.148 0.02 2 891 . 101 HIS HB2 H 3.293 0.02 2 892 . 101 HIS C C 174.450 0.05 1 893 . 102 GLU N N 121.982 0.05 1 894 . 102 GLU H H 8.757 0.02 1 895 . 102 GLU CA C 56.899 0.05 1 896 . 102 GLU HA H 4.233 0.02 1 897 . 102 GLU CB C 29.992 0.05 1 898 . 102 GLU HB3 H 1.933 0.02 2 899 . 102 GLU HB2 H 2.001 0.02 2 900 . 102 GLU CG C 36.170 0.05 1 901 . 102 GLU HG3 H 2.165 0.02 2 902 . 102 GLU HG2 H 2.267 0.02 2 903 . 102 GLU C C 176.434 0.05 1 904 . 103 LEU N N 123.502 0.05 1 905 . 103 LEU H H 8.495 0.02 1 906 . 103 LEU CA C 55.065 0.05 1 907 . 103 LEU HA H 4.320 0.02 1 908 . 103 LEU CB C 41.955 0.05 1 909 . 103 LEU HB2 H 1.631 0.02 2 910 . 103 LEU CD1 C 23.630 0.05 1 911 . 103 LEU HD1 H 0.975 0.02 2 912 . 103 LEU CD2 C 23.630 0.05 1 913 . 103 LEU HD2 H 0.886 0.02 2 914 . 103 LEU C C 177.133 0.05 1 915 . 104 GLN N N 122.643 0.05 1 916 . 104 GLN H H 8.475 0.02 1 917 . 104 GLN CA C 55.917 0.05 1 918 . 104 GLN HA H 4.540 0.02 1 919 . 104 GLN CB C 29.006 0.05 1 920 . 104 GLN HB3 H 1.960 0.02 2 921 . 104 GLN HB2 H 2.089 0.02 2 922 . 104 GLN CG C 30.037 0.05 1 923 . 104 GLN HG2 H 2.306 0.02 2 924 . 104 GLN NE2 N 113.394 0.05 1 925 . 104 GLN HE21 H 6.961 0.02 2 926 . 104 GLN HE22 H 7.704 0.02 2 927 . 104 GLN C C 176.800 0.05 1 928 . 105 PRO CA C 62.793 0.05 1 929 . 105 PRO HA H 4.420 0.02 1 930 . 105 PRO CB C 31.992 0.05 1 931 . 105 PRO HD2 H 3.680 0.02 2 932 . 105 PRO C C 176.840 0.05 1 933 . 106 LEU N N 122.551 0.05 1 934 . 106 LEU H H 8.505 0.02 1 935 . 106 LEU CA C 55.078 0.05 1 936 . 106 LEU HA H 4.390 0.02 1 937 . 106 LEU CB C 42.562 0.05 1 938 . 106 LEU HB2 H 1.628 0.02 2 939 . 106 LEU CG C 27.086 0.05 1 940 . 106 LEU HG H 1.588 0.02 1 941 . 106 LEU CD1 C 24.782 0.05 1 942 . 106 LEU HD1 H 0.971 0.02 2 943 . 106 LEU C C 177.233 0.05 1 944 . 107 ALA N N 125.509 0.05 1 945 . 107 ALA H H 8.399 0.02 1 946 . 107 ALA CA C 52.123 0.05 1 947 . 107 ALA HA H 4.279 0.02 1 948 . 107 ALA CB C 19.353 0.05 1 949 . 107 ALA HB H 1.351 0.02 1 950 . 107 ALA C C 177.708 0.05 1 951 . 108 ILE N N 121.513 0.05 1 952 . 108 ILE H H 8.306 0.02 1 953 . 108 ILE CA C 61.205 0.05 1 954 . 108 ILE HA H 4.111 0.02 1 955 . 108 ILE CB C 38.374 0.05 1 956 . 108 ILE HB H 1.821 0.02 1 957 . 108 ILE CG1 C 20.942 0.05 2 958 . 108 ILE HG13 H 1.009 0.02 1 959 . 108 ILE HG12 H 1.214 0.02 1 960 . 108 ILE CD1 C 12.878 0.05 1 961 . 108 ILE HD1 H 0.864 0.02 1 962 . 108 ILE CG2 C 17.486 0.05 1 963 . 108 ILE HG2 H 0.901 0.02 1 964 . 108 ILE C C 176.620 0.05 1 965 . 109 VAL N N 125.079 0.05 1 966 . 109 VAL H H 8.352 0.02 1 967 . 109 VAL CA C 62.431 0.05 1 968 . 109 VAL HA H 4.080 0.02 1 969 . 109 VAL CB C 32.732 0.05 1 970 . 109 VAL HB H 2.038 0.02 1 971 . 109 VAL CG2 C 21.130 0.05 1 972 . 109 VAL HG2 H 0.900 0.02 2 973 . 109 VAL CG1 C 21.130 0.05 1 974 . 109 VAL HG1 H 1.050 0.02 2 975 . 109 VAL C C 175.652 0.05 1 976 . 110 ASP N N 124.711 0.05 1 977 . 110 ASP H H 8.500 0.02 1 978 . 110 ASP CA C 54.534 0.05 1 979 . 110 ASP HA H 4.572 0.02 1 980 . 110 ASP CB C 41.281 0.05 1 981 . 110 ASP HB3 H 2.743 0.02 2 982 . 110 ASP HB2 H 2.606 0.02 2 983 . 110 ASP C C 176.121 0.05 1 984 . 111 GLN N N 121.775 0.05 1 985 . 111 GLN H H 8.504 0.02 1 986 . 111 GLN CA C 55.592 0.05 1 987 . 111 GLN HA H 4.307 0.02 1 988 . 111 GLN CB C 29.480 0.05 1 989 . 111 GLN HB3 H 1.920 0.02 2 990 . 111 GLN HB2 H 2.156 0.02 2 991 . 111 GLN HG2 H 2.354 0.02 2 992 . 111 GLN NE2 N 112.990 0.05 1 993 . 111 GLN HE21 H 6.953 0.02 2 994 . 111 GLN HE22 H 7.623 0.02 2 995 . 111 GLN C C 176.087 0.05 1 996 . 112 ARG N N 123.502 0.05 1 997 . 112 ARG H H 8.495 0.02 1 998 . 112 ARG CA C 54.766 0.05 1 999 . 112 ARG HA H 4.560 0.02 1 1000 . 112 ARG CB C 29.574 0.05 1 1001 . 112 ARG HB3 H 1.801 0.02 2 1002 . 112 ARG HB2 H 1.994 0.02 2 1003 . 112 ARG CD C 43.406 0.05 1 1004 . 112 ARG HD2 H 3.239 0.02 2 1005 . 112 ARG C C 174.565 0.05 1 1006 . 113 PRO CA C 63.356 0.05 1 1007 . 113 PRO HA H 4.490 0.02 1 1008 . 113 PRO CB C 31.978 0.05 1 1009 . 113 PRO HB3 H 2.037 0.02 2 1010 . 113 PRO HB2 H 2.316 0.02 2 1011 . 113 PRO CD C 50.702 0.05 1 1012 . 113 PRO HD2 H 3.654 0.02 2 1013 . 113 PRO C C 177.221 0.05 1 1014 . 114 SER N N 116.067 0.05 1 1015 . 114 SER H H 8.586 0.02 1 1016 . 114 SER CA C 58.834 0.05 1 1017 . 114 SER HA H 4.432 0.02 1 1018 . 114 SER CB C 63.798 0.05 1 1019 . 114 SER HB3 H 3.909 0.02 2 1020 . 114 SER HB2 H 3.976 0.02 2 1021 . 114 SER C C 175.015 0.05 1 1022 . 115 SER N N 118.221 0.05 1 1023 . 115 SER H H 8.468 0.02 1 1024 . 115 SER CA C 58.737 0.05 1 1025 . 115 SER HA H 4.433 0.02 1 1026 . 115 SER CB C 63.679 0.05 1 1027 . 115 SER HB2 H 3.869 0.02 2 1028 . 115 SER C C 175.000 0.05 1 1029 . 116 ARG N N 122.904 0.05 1 1030 . 116 ARG H H 8.392 0.02 1 1031 . 116 ARG CA C 56.307 0.05 1 1032 . 116 ARG HA H 4.322 0.02 1 1033 . 116 ARG CB C 30.683 0.05 1 1034 . 116 ARG HB3 H 1.759 0.02 2 1035 . 116 ARG HB2 H 1.879 0.02 2 1036 . 116 ARG CG C 26.894 0.05 1 1037 . 116 ARG HG2 H 1.669 0.02 2 1038 . 116 ARG CD C 43.406 0.05 1 1039 . 116 ARG HD2 H 3.198 0.02 2 1040 . 116 ARG C C 176.438 0.05 1 1041 . 117 ALA N N 125.200 0.05 1 1042 . 117 ALA H H 8.358 0.02 1 1043 . 117 ALA CA C 53.056 0.05 1 1044 . 117 ALA HA H 4.315 0.02 1 1045 . 117 ALA CB C 19.163 0.05 1 1046 . 117 ALA HB H 1.410 0.02 1 1047 . 117 ALA C C 178.132 0.05 1 1048 . 118 SER N N 115.210 0.05 1 1049 . 118 SER H H 8.418 0.02 1 1050 . 118 SER CA C 58.758 0.05 1 1051 . 118 SER HA H 4.426 0.02 1 1052 . 118 SER CB C 63.774 0.05 1 1053 . 118 SER HB2 H 3.897 0.02 2 1054 . 118 SER C C 174.855 0.05 1 1055 . 119 SER N N 118.172 0.05 1 1056 . 119 SER H H 8.418 0.02 1 1057 . 119 SER CA C 58.709 0.05 1 1058 . 119 SER HA H 4.443 0.02 1 1059 . 119 SER CB C 63.803 0.05 1 1060 . 119 SER HB2 H 3.920 0.02 2 1061 . 119 SER C C 174.639 0.05 1 1062 . 120 ARG N N 123.079 0.05 1 1063 . 120 ARG H H 8.406 0.02 1 1064 . 120 ARG CA C 56.307 0.05 1 1065 . 120 ARG HA H 4.322 0.02 1 1066 . 120 ARG CB C 30.683 0.05 1 1067 . 120 ARG HB3 H 1.759 0.02 2 1068 . 120 ARG HB2 H 1.879 0.02 2 1069 . 120 ARG CG C 26.894 0.05 1 1070 . 120 ARG HG2 H 1.669 0.02 2 1071 . 120 ARG CD C 43.406 0.05 1 1072 . 120 ARG HD2 H 3.198 0.02 2 1073 . 120 ARG C C 176.540 0.05 1 1074 . 121 ALA N N 125.298 0.05 1 1075 . 121 ALA H H 8.431 0.02 1 1076 . 121 ALA CA C 53.056 0.05 1 1077 . 121 ALA HA H 4.325 0.02 1 1078 . 121 ALA CB C 19.163 0.05 1 1079 . 121 ALA HB H 1.410 0.02 1 1080 . 121 ALA C C 178.052 0.05 1 1081 . 122 SER N N 115.051 0.05 1 1082 . 122 SER H H 8.394 0.02 1 1083 . 122 SER CA C 58.405 0.05 1 1084 . 122 SER HA H 4.447 0.02 1 1085 . 122 SER CB C 63.815 0.05 1 1086 . 122 SER HB2 H 3.896 0.02 2 1087 . 122 SER C C 174.693 0.05 1 1088 . 123 SER N N 117.969 0.05 1 1089 . 123 SER H H 8.381 0.02 1 1090 . 123 SER CA C 58.182 0.05 1 1091 . 123 SER HA H 4.465 0.02 1 1092 . 123 SER CB C 63.830 0.05 1 1093 . 123 SER HB2 H 3.884 0.02 2 1094 . 123 SER C C 174.195 0.05 1 1095 . 124 ARG N N 123.807 0.05 1 1096 . 124 ARG H H 8.336 0.02 1 1097 . 124 ARG CA C 53.986 0.05 1 1098 . 124 ARG HA H 4.661 0.02 1 1099 . 124 ARG CB C 30.174 0.05 1 1100 . 124 ARG HB3 H 1.704 0.02 2 1101 . 124 ARG HB2 H 1.848 0.02 2 1102 . 124 ARG CG C 27.086 0.05 1 1103 . 124 ARG HG2 H 1.680 0.02 2 1104 . 124 ARG CD C 43.406 0.05 1 1105 . 124 ARG HD2 H 3.208 0.02 2 1106 . 124 ARG C C 174.087 0.05 1 1107 . 125 PRO CA C 63.155 0.05 1 1108 . 125 PRO HA H 4.410 0.02 1 1109 . 125 PRO CB C 32.022 0.05 1 1110 . 125 PRO HD2 H 3.625 0.02 2 1111 . 125 PRO C C 176.648 0.05 1 1112 . 126 ARG N N 122.664 0.05 1 1113 . 126 ARG H H 8.639 0.02 1 1114 . 126 ARG CA C 54.076 0.05 1 1115 . 126 ARG HA H 4.614 0.02 1 1116 . 126 ARG CB C 30.325 0.05 1 1117 . 126 ARG HB3 H 1.724 0.02 2 1118 . 126 ARG HB2 H 1.862 0.02 2 1119 . 126 ARG CG C 27.086 0.05 1 1120 . 126 ARG HG2 H 1.680 0.02 2 1121 . 126 ARG CD C 43.412 0.05 1 1122 . 126 ARG HD2 H 3.222 0.02 2 1123 . 126 ARG C C 174.867 0.05 1 1124 . 127 PRO CA C 63.265 0.05 1 1125 . 127 PRO HA H 4.457 0.02 1 1126 . 127 PRO CB C 31.985 0.05 1 1127 . 127 PRO HB3 H 1.961 0.02 2 1128 . 127 PRO HB2 H 2.321 0.02 2 1129 . 127 PRO CG C 27.572 0.05 1 1130 . 127 PRO HG2 H 1.916 0.02 2 1131 . 127 PRO CD C 50.702 0.05 1 1132 . 127 PRO HD2 H 3.732 0.02 2 1133 . 127 PRO C C 176.713 0.05 1 1134 . 128 ASP N N 120.643 0.05 1 1135 . 128 ASP H H 8.481 0.02 1 1136 . 128 ASP CA C 54.264 0.05 1 1137 . 128 ASP HA H 4.622 0.02 1 1138 . 128 ASP CB C 41.265 0.05 1 1139 . 128 ASP HB3 H 2.649 0.02 2 1140 . 128 ASP HB2 H 2.717 0.02 2 1141 . 128 ASP C C 176.325 0.05 1 1142 . 129 ASP N N 121.475 0.05 1 1143 . 129 ASP H H 8.411 0.02 1 1144 . 129 ASP CA C 54.462 0.05 1 1145 . 129 ASP HA H 4.593 0.02 1 1146 . 129 ASP CB C 41.019 0.05 1 1147 . 129 ASP HB3 H 2.693 0.02 2 1148 . 129 ASP HB2 H 2.905 0.02 2 1149 . 129 ASP C C 176.469 0.05 1 1150 . 130 LEU N N 121.937 0.05 1 1151 . 130 LEU H H 8.207 0.02 1 1152 . 130 LEU CA C 55.108 0.05 1 1153 . 130 LEU HA H 4.329 0.02 1 1154 . 130 LEU CB C 42.449 0.05 1 1155 . 130 LEU HB2 H 1.638 0.02 2 1156 . 130 LEU CG C 27.086 0.05 1 1157 . 130 LEU HG H 1.612 0.02 1 1158 . 130 LEU HD1 H 0.887 0.02 2 1159 . 130 LEU CD2 C 24.974 0.05 1 1160 . 130 LEU HD2 H 0.983 0.02 2 1161 . 130 LEU C C 177.293 0.05 1 1162 . 131 GLU N N 122.641 0.05 1 1163 . 131 GLU H H 8.448 0.02 1 1164 . 131 GLU CA C 56.360 0.05 1 1165 . 131 GLU HA H 4.345 0.02 1 1166 . 131 GLU CB C 30.077 0.05 1 1167 . 131 GLU HB3 H 1.922 0.02 2 1168 . 131 GLU HB2 H 2.055 0.02 2 1169 . 131 GLU CG C 36.110 0.05 1 1170 . 131 GLU HG3 H 2.276 0.02 2 1171 . 131 GLU C C 175.428 0.05 1 1172 . 132 ILE N N 126.482 0.05 1 1173 . 132 ILE H H 7.823 0.02 1 1174 . 132 ILE CA C 62.865 0.05 1 1175 . 132 ILE HA H 4.071 0.02 1 1176 . 132 ILE CB C 39.467 0.05 1 1177 . 132 ILE HB H 1.846 0.02 1 1178 . 132 ILE CG1 C 27.235 0.05 2 1179 . 132 ILE HG13 H 1.127 0.02 1 1180 . 132 ILE HG12 H 1.401 0.02 1 1181 . 132 ILE CD1 C 13.642 0.05 1 1182 . 132 ILE HD1 H 0.876 0.02 1 1183 . 132 ILE CG2 C 18.008 0.05 1 1184 . 132 ILE HG2 H 0.909 0.02 1 1185 . 132 ILE C C 181.257 0.05 1 stop_ save_