data_25184 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of FG-NUP (49-172) under in cell condition. ; _BMRB_accession_number 25184 _BMRB_flat_file_name bmr25184.str _Entry_type original _Submission_date 2014-08-29 _Accession_date 2014-08-29 _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 Dutta Kaushik . . 2 Cowburn David . . 3 Rout Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 256 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25182 FSFG-K 25183 FSFG-K-6His 25185 FG-N-6His stop_ _Original_release_date 2015-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Atomic Scale Dynamic Behavior of the Nuclear Transport Selectivity Barrier ; _Citation_status 'in preparation' _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 Hough Loren . . 2 Dutta Kaushik . . 3 Sparks Sam . . 4 Temel Deniz B. . 5 Kamal Alia . . 6 Tetenbaum-Novatt Jaclyn . . 7 Rout Michael . . 8 Cowburn David . . stop_ _Journal_abbreviation Science _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'In cell NMR' 'Nuclear Pore Complexes' 'Transport factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FG-N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FG-N _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Transport Factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MGTSAPNNTNNANSSITPAF GSNNTGNTAFGNSNPTSNVF GSNNSTTNTFGSNSAGTSLF GSSSAQQTKSNGTAGGNTFG SSSLFNNSTNSNTTKPAFGG LNFGGGNNTTPSSTGNANTS NNLFGATA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . GLY 3 . THR 4 . SER 5 49 ALA 6 50 PRO 7 51 ASN 8 52 ASN 9 53 THR 10 54 ASN 11 55 ASN 12 56 ALA 13 57 ASN 14 58 SER 15 59 SER 16 60 ILE 17 61 THR 18 62 PRO 19 63 ALA 20 64 PHE 21 65 GLY 22 66 SER 23 67 ASN 24 68 ASN 25 69 THR 26 70 GLY 27 71 ASN 28 72 THR 29 73 ALA 30 74 PHE 31 75 GLY 32 76 ASN 33 77 SER 34 78 ASN 35 79 PRO 36 80 THR 37 81 SER 38 82 ASN 39 83 VAL 40 84 PHE 41 85 GLY 42 86 SER 43 87 ASN 44 88 ASN 45 89 SER 46 90 THR 47 91 THR 48 92 ASN 49 93 THR 50 94 PHE 51 95 GLY 52 96 SER 53 97 ASN 54 98 SER 55 99 ALA 56 100 GLY 57 101 THR 58 102 SER 59 103 LEU 60 104 PHE 61 105 GLY 62 106 SER 63 107 SER 64 108 SER 65 109 ALA 66 110 GLN 67 111 GLN 68 112 THR 69 113 LYS 70 114 SER 71 115 ASN 72 116 GLY 73 117 THR 74 118 ALA 75 119 GLY 76 120 GLY 77 121 ASN 78 122 THR 79 123 PHE 80 124 GLY 81 125 SER 82 126 SER 83 127 SER 84 128 LEU 85 129 PHE 86 130 ASN 87 131 ASN 88 132 SER 89 133 THR 90 134 ASN 91 135 SER 92 136 ASN 93 137 THR 94 138 THR 95 139 LYS 96 140 PRO 97 141 ALA 98 142 PHE 99 143 GLY 100 144 GLY 101 145 LEU 102 146 ASN 103 147 PHE 104 148 GLY 105 149 GLY 106 150 GLY 107 151 ASN 108 152 ASN 109 153 THR 110 154 THR 111 155 PRO 112 156 SER 113 157 SER 114 158 THR 115 159 GLY 116 160 ASN 117 161 ALA 118 162 ASN 119 163 THR 120 164 SER 121 165 ASN 122 166 ASN 123 167 LEU 124 168 PHE 125 169 GLY 126 170 ALA 127 171 THR 128 172 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 25185 FG-N-6His 100.00 137 100.00 100.00 1.46e-69 DBJ GAA24320 "K7_Nsp1p [Saccharomyces cerevisiae Kyokai no. 7]" 97.66 804 100.00 100.00 2.07e-64 EMBL CAA89332 "NSP1 [Saccharomyces cerevisiae]" 97.66 823 100.00 100.00 3.40e-64 EMBL CAY80739 "Nsp1p [Saccharomyces cerevisiae EC1118]" 97.66 709 99.20 99.20 1.33e-63 GB AAA34821 "nucleoskeletal-like protein [Saccharomyces cerevisiae]" 97.66 823 100.00 100.00 3.54e-64 GB AHY78965 "Nsp1p [Saccharomyces cerevisiae YJM993]" 97.66 823 100.00 100.00 2.21e-64 GB AJP39666 "Nsp1p [Saccharomyces cerevisiae YJM1078]" 97.66 823 100.00 100.00 2.21e-64 GB AJR53935 "Nsp1p [Saccharomyces cerevisiae YJM681]" 97.66 804 100.00 100.00 3.46e-64 GB AJR54261 "Nsp1p [Saccharomyces cerevisiae YJM682]" 97.66 804 100.00 100.00 4.22e-64 REF NP_012494 "FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" 97.66 823 100.00 100.00 3.40e-64 SP P14907 "RecName: Full=Nucleoporin NSP1; AltName: Full=Nuclear pore protein NSP1; AltName: Full=Nucleoskeletal-like protein; AltName: Fu" 97.66 823 100.00 100.00 3.40e-64 TPG DAA08759 "TPA: FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" 97.66 823 100.00 100.00 3.40e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'BL21(DE3) Gold Cells' pRSF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'NMR assignment of FG-N done in the cell.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . uM 300 400 '[U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'NMR assignment of FG-N done in the cell.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . uM 300 500 '[U-100% 13C; U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.3 . pH pressure 1 . atm temperature 298 . 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 . internal indirect . . . 0.251449530 water H 1 protons ppm . internal direct . . . 1.000000000 water N 15 protons ppm . internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 174.3820 0.16 1 2 1 1 MET CA C 58.3468 0.16 1 3 1 1 MET CB C 28.2820 0.16 1 4 2 2 GLY H H 8.2017 0.001 1 5 2 2 GLY C C 178.9584 0.16 1 6 2 2 GLY CA C 46.2261 0.16 1 7 2 2 GLY N N 117.5476 0.03 1 8 3 3 THR C C 174.3422 0.16 1 9 3 3 THR CA C 61.8861 0.16 1 10 3 3 THR CB C 69.6990 0.16 1 11 4 4 SER H H 8.2636 0.001 1 12 4 4 SER C C 173.5238 0.16 1 13 4 4 SER CA C 58.0407 0.16 1 14 4 4 SER CB C 63.8938 0.16 1 15 4 4 SER N N 118.4418 0.03 1 16 5 5 ALA H H 8.2750 0.001 1 17 5 5 ALA C C 175.5001 0.16 1 18 5 5 ALA CA C 50.7287 0.16 1 19 5 5 ALA CB C 18.2271 0.16 1 20 5 5 ALA N N 127.1624 0.03 1 21 6 6 PRO C C 176.6466 0.16 1 22 6 6 PRO CA C 63.2124 0.16 1 23 6 6 PRO CB C 31.9275 0.16 1 24 7 7 ASN H H 8.4586 0.001 1 25 7 7 ASN C C 174.9394 0.16 1 26 7 7 ASN CA C 53.2407 0.16 1 27 7 7 ASN CB C 38.6430 0.16 1 28 7 7 ASN N N 118.4809 0.03 1 29 8 8 ASN H H 8.3262 0.001 1 30 8 8 ASN C C 175.4775 0.16 1 31 8 8 ASN CA C 53.3677 0.16 1 32 8 8 ASN CB C 38.7700 0.16 1 33 8 8 ASN N N 119.3294 0.03 1 34 9 9 THR H H 8.1208 0.001 1 35 9 9 THR C C 174.4217 0.16 1 36 9 9 THR CA C 62.0782 0.16 1 37 9 9 THR CB C 69.5882 0.16 1 38 9 9 THR N N 113.8829 0.03 1 39 10 10 ASN H H 8.4162 0.001 1 40 10 10 ASN C C 174.9542 0.16 1 41 10 10 ASN CA C 53.4593 0.16 1 42 10 10 ASN CB C 38.6468 0.16 1 43 10 10 ASN N N 120.7373 0.03 1 44 11 11 ASN C C 175.0904 0.16 1 45 11 11 ASN CA C 53.1944 0.16 1 46 11 11 ASN CB C 38.7205 0.16 1 47 12 12 ALA H H 8.2371 0.001 1 48 12 12 ALA C C 177.5997 0.16 1 49 12 12 ALA CA C 52.9023 0.16 1 50 12 12 ALA CB C 18.9901 0.16 1 51 12 12 ALA N N 124.1272 0.03 1 52 13 13 ASN H H 8.3248 0.001 1 53 13 13 ASN C C 175.3478 0.16 1 54 13 13 ASN CA C 53.2254 0.16 1 55 13 13 ASN CB C 38.7350 0.16 1 56 13 13 ASN N N 117.3262 0.03 1 57 14 14 SER H H 8.1492 0.001 1 58 14 14 SER C C 174.4999 0.16 1 59 14 14 SER CA C 58.5721 0.16 1 60 14 14 SER CB C 63.6495 0.16 1 61 14 14 SER N N 115.9954 0.03 1 62 15 15 SER H H 8.2841 0.001 1 63 15 15 SER C C 174.2109 0.16 1 64 15 15 SER CA C 58.4727 0.16 1 65 15 15 SER CB C 63.7793 0.16 1 66 15 15 SER N N 117.6942 0.03 1 67 16 16 ILE H H 8.0100 0.001 1 68 16 16 ILE C C 176.0721 0.16 1 69 16 16 ILE CA C 60.9608 0.16 1 70 16 16 ILE CB C 38.6430 0.16 1 71 16 16 ILE N N 121.8506 0.03 1 72 17 17 THR H H 8.1900 0.001 1 73 17 17 THR C C 172.6310 0.16 1 74 17 17 THR CA C 60.0953 0.16 1 75 17 17 THR CB C 69.8694 0.16 1 76 17 17 THR N N 121.1774 0.03 1 77 18 18 PRO C C 176.3560 0.16 1 78 18 18 PRO CA C 63.1673 0.16 1 79 18 18 PRO CB C 32.0423 0.16 1 80 19 19 ALA H H 8.2593 0.001 1 81 19 19 ALA C C 177.4065 0.16 1 82 19 19 ALA CA C 52.2887 0.16 1 83 19 19 ALA CB C 19.0628 0.16 1 84 19 19 ALA N N 124.1896 0.03 1 85 20 20 PHE H H 8.1216 0.001 1 86 20 20 PHE C C 176.2519 0.16 1 87 20 20 PHE CA C 57.9036 0.16 1 88 20 20 PHE CB C 39.4047 0.16 1 89 20 20 PHE N N 119.3313 0.03 1 90 21 21 GLY H H 8.1841 0.001 1 91 21 21 GLY C C 174.0632 0.16 1 92 21 21 GLY CA C 45.2437 0.16 1 93 21 21 GLY N N 110.5926 0.03 1 94 22 22 SER H H 8.1394 0.001 1 95 22 22 SER C C 174.3321 0.16 1 96 22 22 SER CA C 58.3810 0.16 1 97 22 22 SER CB C 63.9034 0.16 1 98 22 22 SER N N 115.3927 0.03 1 99 23 23 ASN H H 8.4972 0.001 1 100 23 23 ASN C C 174.9221 0.16 1 101 23 23 ASN CA C 53.2207 0.16 1 102 23 23 ASN CB C 38.6823 0.16 1 103 23 23 ASN N N 120.3421 0.03 1 104 24 24 ASN H H 8.3553 0.001 1 105 24 24 ASN C C 175.4552 0.16 1 106 24 24 ASN CA C 53.3677 0.16 1 107 24 24 ASN CB C 38.7700 0.16 1 108 24 24 ASN N N 119.3253 0.03 1 109 25 25 THR H H 8.1023 0.001 1 110 25 25 THR C C 175.1822 0.16 1 111 25 25 THR CA C 62.0751 0.16 1 112 25 25 THR CB C 69.6657 0.16 1 113 25 25 THR N N 113.5029 0.03 1 114 26 26 GLY H H 8.3802 0.001 1 115 26 26 GLY C C 173.8817 0.16 1 116 26 26 GLY CA C 45.3640 0.16 1 117 26 26 GLY N N 110.7644 0.03 1 118 27 27 ASN H H 8.2589 0.001 1 119 27 27 ASN C C 175.6008 0.16 1 120 27 27 ASN CA C 53.2070 0.16 1 121 27 27 ASN CB C 38.8434 0.16 1 122 27 27 ASN N N 118.8745 0.03 1 123 28 28 THR H H 8.1086 0.001 1 124 28 28 THR C C 174.3024 0.16 1 125 28 28 THR CA C 61.9656 0.16 1 126 28 28 THR CB C 69.7747 0.16 1 127 28 28 THR N N 114.3145 0.03 1 128 29 29 ALA H H 8.1918 0.001 1 129 29 29 ALA C C 177.3382 0.16 1 130 29 29 ALA CA C 52.5321 0.16 1 131 29 29 ALA CB C 19.0380 0.16 1 132 29 29 ALA N N 125.8185 0.03 1 133 30 30 PHE H H 8.0527 0.001 1 134 30 30 PHE C C 176.3101 0.16 1 135 30 30 PHE CA C 57.6209 0.16 1 136 30 30 PHE CB C 39.3841 0.16 1 137 30 30 PHE N N 118.8937 0.03 1 138 31 31 GLY H H 8.1908 0.001 1 139 31 31 GLY C C 173.8354 0.16 1 140 31 31 GLY CA C 45.5552 0.16 1 141 31 31 GLY N N 110.1378 0.03 1 142 32 32 ASN H H 8.2357 0.001 1 143 32 32 ASN C C 175.2018 0.16 1 144 32 32 ASN CA C 53.2236 0.16 1 145 32 32 ASN CB C 38.8439 0.16 1 146 32 32 ASN N N 118.8479 0.03 1 147 33 33 SER H H 8.2612 0.001 1 148 33 33 SER C C 173.7572 0.16 1 149 33 33 SER CA C 58.2978 0.16 1 150 33 33 SER CB C 63.8573 0.16 1 151 33 33 SER N N 116.0623 0.03 1 152 34 34 ASN H H 8.3906 0.001 1 153 34 34 ASN C C 173.3240 0.16 1 154 34 34 ASN CA C 51.4904 0.16 1 155 34 34 ASN CB C 38.8155 0.16 1 156 34 34 ASN N N 121.2255 0.03 1 157 35 35 PRO C C 177.2190 0.16 1 158 35 35 PRO CA C 63.6036 0.16 1 159 35 35 PRO CB C 32.0609 0.16 1 160 36 36 THR H H 8.1453 0.001 1 161 36 36 THR C C 174.6227 0.16 1 162 36 36 THR CA C 61.8724 0.16 1 163 36 36 THR CB C 69.4886 0.16 1 164 36 36 THR N N 113.0761 0.03 1 165 37 37 SER H H 8.0885 0.001 1 166 37 37 SER C C 172.7207 0.16 1 167 37 37 SER N N 116.7377 0.03 1 168 45 45 SER C C 174.8951 0.16 1 169 45 45 SER CA C 58.6132 0.16 1 170 45 45 SER CB C 63.7894 0.16 1 171 46 46 THR H H 8.2151 0.001 1 172 46 46 THR C C 174.7912 0.16 1 173 46 46 THR CA C 61.9624 0.16 1 174 46 46 THR CB C 69.5975 0.16 1 175 46 46 THR N N 115.4076 0.03 1 176 47 47 THR H H 8.0663 0.001 1 177 47 47 THR C C 174.1929 0.16 1 178 47 47 THR CA C 61.9873 0.16 1 179 47 47 THR CB C 69.6552 0.16 1 180 47 47 THR N N 115.7252 0.03 1 181 48 48 ASN H H 8.3674 0.001 1 182 48 48 ASN C C 175.2336 0.16 1 183 48 48 ASN CA C 53.1138 0.16 1 184 48 48 ASN CB C 38.6430 0.16 1 185 48 48 ASN N N 121.3030 0.03 1 186 49 49 THR H H 8.0173 0.001 1 187 49 49 THR C C 174.3852 0.16 1 188 49 49 THR CA C 61.9916 0.16 1 189 49 49 THR CB C 69.7045 0.16 1 190 49 49 THR N N 114.2478 0.03 1 191 50 50 PHE H H 8.2248 0.001 1 192 50 50 PHE C C 176.2441 0.16 1 193 50 50 PHE CA C 58.1179 0.16 1 194 50 50 PHE CB C 39.1508 0.16 1 195 50 50 PHE N N 122.0989 0.03 1 196 51 51 GLY H H 8.2495 0.001 1 197 51 51 GLY C C 174.1088 0.16 1 198 51 51 GLY CA C 45.3858 0.16 1 199 51 51 GLY N N 110.5445 0.03 1 200 52 52 SER H H 8.1560 0.001 1 201 52 52 SER C C 174.4965 0.16 1 202 52 52 SER CA C 58.5432 0.16 1 203 52 52 SER CB C 63.8053 0.16 1 204 52 52 SER N N 115.5245 0.03 1 205 53 53 ASN H H 8.5100 0.001 1 206 53 53 ASN C C 175.4090 0.16 1 207 53 53 ASN CA C 53.3875 0.16 1 208 53 53 ASN CB C 38.8632 0.16 1 209 53 53 ASN N N 120.7600 0.03 1 210 54 54 SER H H 8.2387 0.001 1 211 54 54 SER C C 174.3943 0.16 1 212 54 54 SER CA C 58.5256 0.16 1 213 54 54 SER CB C 63.7245 0.16 1 214 54 54 SER N N 116.2048 0.03 1 215 55 55 ALA H H 8.2775 0.001 1 216 55 55 ALA C C 178.1800 0.16 1 217 55 55 ALA CA C 52.8140 0.16 1 218 55 55 ALA CB C 19.1984 0.16 1 219 55 55 ALA N N 125.6578 0.03 1 220 56 56 GLY H H 8.2579 0.001 1 221 56 56 GLY C C 174.3960 0.16 1 222 56 56 GLY CA C 45.3707 0.16 1 223 56 56 GLY N N 107.7219 0.03 1 224 57 57 THR H H 7.9531 0.001 1 225 57 57 THR C C 174.6846 0.16 1 226 57 57 THR CA C 61.9993 0.16 1 227 57 57 THR CB C 69.8694 0.16 1 228 57 57 THR N N 113.2652 0.03 1 229 62 62 SER C C 174.7688 0.16 1 230 62 62 SER CA C 58.3182 0.16 1 231 62 62 SER CB C 63.9034 0.16 1 232 63 63 SER H H 8.3818 0.001 1 233 63 63 SER C C 174.8065 0.16 1 234 63 63 SER CA C 58.5919 0.16 1 235 63 63 SER CB C 63.8497 0.16 1 236 63 63 SER N N 117.9117 0.03 1 237 64 64 SER H H 8.2989 0.001 1 238 64 64 SER C C 174.5462 0.16 1 239 64 64 SER CA C 58.6311 0.16 1 240 64 64 SER CB C 63.7543 0.16 1 241 64 64 SER N N 117.7232 0.03 1 242 65 65 ALA H H 8.2080 0.001 1 243 65 65 ALA C C 177.8172 0.16 1 244 65 65 ALA CA C 52.8255 0.16 1 245 65 65 ALA CB C 18.9620 0.16 1 246 65 65 ALA N N 125.5736 0.03 1 247 66 66 GLN H H 8.1661 0.001 1 248 66 66 GLN C C 176.1265 0.16 1 249 66 66 GLN CA C 56.0904 0.16 1 250 66 66 GLN CB C 29.2819 0.16 1 251 66 66 GLN N N 118.7203 0.03 1 252 67 67 GLN H H 8.2822 0.001 1 253 67 67 GLN C C 176.1970 0.16 1 254 67 67 GLN CA C 56.0116 0.16 1 255 67 67 GLN CB C 29.4102 0.16 1 256 67 67 GLN N N 121.1939 0.03 1 257 68 68 THR H H 8.1546 0.001 1 258 68 68 THR C C 174.5069 0.16 1 259 68 68 THR CA C 61.9845 0.16 1 260 68 68 THR CB C 69.7731 0.16 1 261 68 68 THR N N 115.6015 0.03 1 262 69 69 LYS H H 8.3074 0.001 1 263 69 69 LYS C C 176.5672 0.16 1 264 69 69 LYS CA C 56.2774 0.16 1 265 69 69 LYS CB C 32.9297 0.16 1 266 69 69 LYS N N 123.6543 0.03 1 267 70 70 SER H H 8.3310 0.001 1 268 70 70 SER C C 174.3986 0.16 1 269 70 70 SER CA C 58.3407 0.16 1 270 70 70 SER CB C 63.8043 0.16 1 271 70 70 SER N N 116.9200 0.03 1 272 71 71 ASN H H 8.4442 0.001 1 273 71 71 ASN C C 175.7233 0.16 1 274 71 71 ASN CA C 53.1757 0.16 1 275 71 71 ASN CB C 38.7681 0.16 1 276 71 71 ASN N N 120.8251 0.03 1 277 72 72 GLY H H 8.3346 0.001 1 278 72 72 GLY C C 174.3972 0.16 1 279 72 72 GLY CA C 45.4695 0.16 1 280 72 72 GLY N N 109.0101 0.03 1 281 73 73 THR H H 8.0459 0.001 1 282 73 73 THR C C 174.5721 0.16 1 283 73 73 THR CA C 61.7608 0.16 1 284 73 73 THR CB C 69.8992 0.16 1 285 73 73 THR N N 113.4632 0.03 1 286 74 74 ALA H H 8.3581 0.001 1 287 74 74 ALA C C 178.0899 0.16 1 288 74 74 ALA CA C 52.6613 0.16 1 289 74 74 ALA CB C 19.0395 0.16 1 290 74 74 ALA N N 126.4908 0.03 1 291 75 75 GLY H H 8.3112 0.001 1 292 75 75 GLY C C 174.6331 0.16 1 293 75 75 GLY CA C 45.2494 0.16 1 294 75 75 GLY N N 108.2607 0.03 1 295 76 76 GLY H H 8.1877 0.001 1 296 76 76 GLY C C 173.9231 0.16 1 297 76 76 GLY CA C 45.3322 0.16 1 298 76 76 GLY N N 108.5016 0.03 1 299 87 87 ASN C C 175.3628 0.16 1 300 87 87 ASN CA C 53.3677 0.16 1 301 87 87 ASN CB C 38.8969 0.16 1 302 88 88 SER H H 8.2872 0.001 1 303 88 88 SER CA C 58.9529 0.16 1 304 88 88 SER CB C 63.7764 0.16 1 305 88 88 SER N N 116.0459 0.03 1 306 89 89 THR C C 174.4162 0.16 1 307 89 89 THR CA C 62.0529 0.16 1 308 89 89 THR CB C 69.4886 0.16 1 309 90 90 ASN H H 8.3381 0.001 1 310 90 90 ASN CA C 53.4212 0.16 1 311 90 90 ASN CB C 38.7700 0.16 1 312 90 90 ASN N N 120.8038 0.03 1 313 92 92 ASN C C 175.4562 0.16 1 314 92 92 ASN CA C 53.2407 0.16 1 315 92 92 ASN CB C 38.6430 0.16 1 316 93 93 THR H H 8.0587 0.001 1 317 93 93 THR CA C 61.9993 0.16 1 318 93 93 THR CB C 69.7425 0.16 1 319 93 93 THR N N 113.9233 0.03 1 320 97 97 ALA H H 8.2590 0.001 1 321 97 97 ALA C C 177.4060 0.16 1 322 97 97 ALA CA C 52.2887 0.16 1 323 97 97 ALA CB C 19.0630 0.16 1 324 97 97 ALA N N 124.1900 0.03 1 325 98 98 PHE H H 8.1220 0.001 1 326 98 98 PHE C C 176.2695 0.16 1 327 98 98 PHE CA C 57.8700 0.16 1 328 98 98 PHE CB C 39.3576 0.16 1 329 98 98 PHE N N 119.3310 0.03 1 330 99 99 GLY H H 8.2707 0.001 1 331 99 99 GLY C C 174.0842 0.16 1 332 99 99 GLY CA C 45.4242 0.16 1 333 99 99 GLY N N 110.7661 0.03 1 334 104 104 GLY C C 174.6033 0.16 1 335 104 104 GLY CA C 45.1292 0.16 1 336 105 105 GLY H H 8.0071 0.001 1 337 105 105 GLY C C 174.6327 0.16 1 338 105 105 GLY CA C 45.1168 0.16 1 339 105 105 GLY N N 108.4966 0.03 1 340 106 106 GLY H H 8.2619 0.001 1 341 106 106 GLY C C 173.9032 0.16 1 342 106 106 GLY CA C 45.1168 0.16 1 343 106 106 GLY N N 108.6635 0.03 1 344 107 107 ASN H H 8.3380 0.001 1 345 107 107 ASN C C 174.9556 0.16 1 346 107 107 ASN CA C 53.1138 0.16 1 347 107 107 ASN CB C 38.7700 0.16 1 348 107 107 ASN N N 118.5880 0.03 1 349 108 108 ASN H H 8.4411 0.001 1 350 108 108 ASN C C 175.2443 0.16 1 351 108 108 ASN CA C 53.4410 0.16 1 352 108 108 ASN CB C 38.7700 0.16 1 353 108 108 ASN N N 119.1939 0.03 1 354 109 109 THR H H 8.1003 0.001 1 355 109 109 THR C C 174.4311 0.16 1 356 109 109 THR CA C 61.9466 0.16 1 357 109 109 THR CB C 69.8783 0.16 1 358 109 109 THR N N 113.9322 0.03 1 359 110 110 THR H H 8.1964 0.001 1 360 110 110 THR C C 172.8541 0.16 1 361 110 110 THR CA C 60.1424 0.16 1 362 110 110 THR CB C 69.7609 0.16 1 363 110 110 THR N N 118.9981 0.03 1 364 111 111 PRO C C 176.9324 0.16 1 365 111 111 PRO CA C 63.3011 0.16 1 366 111 111 PRO CB C 32.0003 0.16 1 367 112 112 SER H H 8.3873 0.001 1 368 112 112 SER C C 174.8688 0.16 1 369 112 112 SER CA C 58.5274 0.16 1 370 112 112 SER CB C 63.8548 0.16 1 371 112 112 SER N N 115.9211 0.03 1 372 113 113 SER H H 8.4209 0.001 1 373 113 113 SER C C 174.8847 0.16 1 374 113 113 SER CA C 58.5258 0.16 1 375 113 113 SER CB C 63.7750 0.16 1 376 113 113 SER N N 117.9053 0.03 1 377 114 114 THR H H 8.1444 0.001 1 378 114 114 THR C C 175.1448 0.16 1 379 114 114 THR CA C 62.0727 0.16 1 380 114 114 THR CB C 69.6111 0.16 1 381 114 114 THR N N 115.0361 0.03 1 382 115 115 GLY H H 8.2990 0.001 1 383 115 115 GLY C C 173.8492 0.16 1 384 115 115 GLY CA C 45.4223 0.16 1 385 115 115 GLY N N 110.7924 0.03 1 386 116 116 ASN C C 175.0492 0.16 1 387 116 116 ASN CA C 52.9060 0.16 1 388 116 116 ASN CB C 38.7700 0.16 1 389 117 117 ALA H H 8.3230 0.001 1 390 117 117 ALA C C 177.4963 0.16 1 391 117 117 ALA CA C 52.9868 0.16 1 392 117 117 ALA CB C 19.0948 0.16 1 393 117 117 ALA N N 124.3787 0.03 1 394 118 118 ASN H H 8.4098 0.001 1 395 118 118 ASN C C 175.5821 0.16 1 396 118 118 ASN CA C 53.3141 0.16 1 397 118 118 ASN CB C 38.6430 0.16 1 398 118 118 ASN N N 117.6888 0.03 1 399 119 119 THR H H 8.0443 0.001 1 400 119 119 THR C C 174.5960 0.16 1 401 119 119 THR CA C 61.9621 0.16 1 402 119 119 THR CB C 69.7020 0.16 1 403 119 119 THR N N 113.6825 0.03 1 404 120 120 SER H H 8.0919 0.001 1 405 120 120 SER C C 174.1312 0.16 1 406 120 120 SER CA C 58.3182 0.16 1 407 120 120 SER CB C 63.7764 0.16 1 408 120 120 SER N N 117.2981 0.03 1 409 121 121 ASN H H 8.3766 0.001 1 410 121 121 ASN C C 173.3589 0.16 1 411 121 121 ASN CB C 38.8969 0.16 1 412 121 121 ASN N N 121.0315 0.03 1 stop_ save_