data_18446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific 1H, 13C and 15N resonance assignments of an intrinsically unstructured -Crystallin from Hahella chejuensis ; _BMRB_accession_number 18446 _BMRB_flat_file_name bmr18446.str _Entry_type original _Submission_date 2012-05-07 _Accession_date 2012-05-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structural insights' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramanujam Venkatraman . . 2 Patel Sunita . . 3 Srivastava Atul K . 4 Sharma Yogendra . . 5 Chary Kandala 'V. R' . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 71 "13C chemical shifts" 222 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2012-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 13C and 15N resonance assignments of an intrinsically unstructured -crystallin from Hahella chejuensis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22836948 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramanujam Venkatraman . . 2 Patel Sunita . . 3 Srivastava Atul K. . 4 Sharma Yogendra . . 5 Chary Kandala V.R. . 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 221 _Page_last 224 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Apoform of Hahellin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Apoform of Hahellin' $Apoform_Hahellin stop_ _System_molecular_weight 10249.3 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Apoform_Hahellin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Apoform_Hahellin _Molecular_mass 10249.3 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MGEKTVKLYEDTHFKGYSVE LPVGDYNLSSLISRGALNDD LSSARVPSGLRLEVFQHNNF KGVRDFYTSDAAELSRDNDA SSVRVSKMETTN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLU 4 LYS 5 THR 6 VAL 7 LYS 8 LEU 9 TYR 10 GLU 11 ASP 12 THR 13 HIS 14 PHE 15 LYS 16 GLY 17 TYR 18 SER 19 VAL 20 GLU 21 LEU 22 PRO 23 VAL 24 GLY 25 ASP 26 TYR 27 ASN 28 LEU 29 SER 30 SER 31 LEU 32 ILE 33 SER 34 ARG 35 GLY 36 ALA 37 LEU 38 ASN 39 ASP 40 ASP 41 LEU 42 SER 43 SER 44 ALA 45 ARG 46 VAL 47 PRO 48 SER 49 GLY 50 LEU 51 ARG 52 LEU 53 GLU 54 VAL 55 PHE 56 GLN 57 HIS 58 ASN 59 ASN 60 PHE 61 LYS 62 GLY 63 VAL 64 ARG 65 ASP 66 PHE 67 TYR 68 THR 69 SER 70 ASP 71 ALA 72 ALA 73 GLU 74 LEU 75 SER 76 ARG 77 ASP 78 ASN 79 ASP 80 ALA 81 SER 82 SER 83 VAL 84 ARG 85 VAL 86 SER 87 LYS 88 MET 89 GLU 90 THR 91 THR 92 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 15743 hahellin 100.00 92 100.00 100.00 3.86e-59 BMRB 16777 hahellin 100.00 92 100.00 100.00 3.86e-59 PDB 2KP5 "Nmr Structure Of Hahellin, A Beta-Gamma Crystallin" 100.00 92 100.00 100.00 3.86e-59 GB ABC29838 "conserved hypothetical protein [Hahella chejuensis KCTC 2396]" 98.91 450 100.00 100.00 2.16e-54 REF WP_011396907 "hypothetical protein [Hahella chejuensis]" 98.91 450 100.00 100.00 2.16e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Apoform_Hahellin 'Hahella chejuensis' 158327 Bacteria . Hahella chejuensis 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 $Apoform_Hahellin 'recombinant technology' . Hahella chejuensis . pET21a 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 $Apoform_Hahellin 0.7 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_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_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 'ionic strength' 0.05 . M pH 7.5 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' 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 'Apoform of Hahellin' _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 3 3 GLU C C 176.410 0.10 1 2 3 3 GLU CB C 30.310 0.10 1 3 4 4 LYS H H 8.500 0.02 1 4 4 4 LYS C C 176.410 0.10 1 5 4 4 LYS CA C 56.120 0.10 1 6 4 4 LYS CB C 32.650 0.10 1 7 4 4 LYS N N 122.360 0.20 1 8 5 5 THR H H 8.110 0.02 1 9 5 5 THR C C 174.090 0.10 1 10 5 5 THR CA C 61.690 0.10 1 11 5 5 THR CB C 69.580 0.10 1 12 5 5 THR N N 116.460 0.20 1 13 6 6 VAL H H 8.130 0.02 1 14 6 6 VAL CA C 61.620 0.10 1 15 6 6 VAL CB C 32.610 0.10 1 16 6 6 VAL N N 123.160 0.20 1 17 7 7 LYS C C 175.710 0.10 1 18 7 7 LYS CA C 55.530 0.10 1 19 7 7 LYS CB C 32.630 0.10 1 20 8 8 LEU H H 8.170 0.02 1 21 8 8 LEU C C 176.670 0.10 1 22 8 8 LEU CA C 54.960 0.10 1 23 8 8 LEU CB C 42.320 0.10 1 24 8 8 LEU N N 123.840 0.20 1 25 9 9 TYR H H 8.040 0.02 1 26 9 9 TYR C C 175.460 0.10 1 27 9 9 TYR CA C 57.580 0.10 1 28 9 9 TYR CB C 38.510 0.10 1 29 9 9 TYR N N 119.750 0.20 1 30 10 10 GLU H H 8.220 0.02 1 31 10 10 GLU C C 175.470 0.10 1 32 10 10 GLU CA C 56.130 0.10 1 33 10 10 GLU CB C 30.310 0.10 1 34 10 10 GLU N N 121.900 0.20 1 35 11 11 ASP H H 8.110 0.02 1 36 11 11 ASP C C 176.530 0.10 1 37 11 11 ASP CA C 54.050 0.10 1 38 11 11 ASP CB C 40.880 0.10 1 39 11 11 ASP N N 120.850 0.20 1 40 12 12 THR H H 7.960 0.02 1 41 12 12 THR CA C 61.960 0.10 1 42 12 12 THR CB C 69.170 0.10 1 43 12 12 THR N N 113.590 0.20 1 44 15 15 LYS C C 176.320 0.10 1 45 15 15 LYS CA C 55.950 0.10 1 46 15 15 LYS CB C 32.370 0.10 1 47 16 16 GLY H H 7.390 0.02 1 48 16 16 GLY C C 173.230 0.10 1 49 16 16 GLY CA C 44.770 0.10 1 50 16 16 GLY N N 108.330 0.20 1 51 17 17 TYR H H 7.880 0.02 1 52 17 17 TYR C C 175.420 0.10 1 53 17 17 TYR CA C 57.540 0.10 1 54 17 17 TYR CB C 38.810 0.10 1 55 17 17 TYR N N 119.470 0.20 1 56 18 18 SER H H 8.130 0.02 1 57 18 18 SER C C 173.830 0.10 1 58 18 18 SER CA C 58.54 0.10 1 59 18 18 SER CB C 63.75 0.10 1 60 18 18 SER N N 117.520 0.20 1 61 19 19 VAL H H 7.990 0.02 1 62 19 19 VAL C C 175.460 0.10 1 63 19 19 VAL CA C 61.830 0.10 1 64 19 19 VAL CB C 32.390 0.10 1 65 19 19 VAL N N 121.010 0.20 1 66 20 20 GLU H H 8.290 0.02 1 67 20 20 GLU C C 175.710 0.10 1 68 20 20 GLU CA C 55.800 0.10 1 69 20 20 GLU CB C 29.990 0.10 1 70 20 20 GLU N N 125.790 0.20 1 71 21 21 LEU H H 8.140 0.02 1 72 21 21 LEU CA C 52.590 0.10 1 73 21 21 LEU CB C 41.480 0.10 1 74 21 21 LEU N N 124.800 0.20 1 75 22 22 PRO C C 176.650 0.10 1 76 23 23 VAL H H 8.120 0.02 1 77 23 23 VAL C C 176.580 0.10 1 78 23 23 VAL CA C 62.560 0.10 1 79 23 23 VAL CB C 31.480 0.10 1 80 23 23 VAL N N 120.080 0.20 1 81 24 24 GLY H H 8.270 0.02 1 82 24 24 GLY C C 173.310 0.10 1 83 24 24 GLY CA C 44.930 0.10 1 84 24 24 GLY N N 111.780 0.20 1 85 25 25 ASP H H 8.040 0.02 1 86 25 25 ASP C C 175.460 0.10 1 87 25 25 ASP CA C 54.010 0.10 1 88 25 25 ASP CB C 40.870 0.10 1 89 25 25 ASP N N 120.350 0.20 1 90 26 26 TYR H H 7.940 0.02 1 91 26 26 TYR CA C 57.590 0.10 1 92 26 26 TYR CB C 39.390 0.10 1 93 26 26 TYR N N 119.510 0.20 1 94 29 29 SER CA C 58.170 0.10 1 95 29 29 SER CB C 63.730 0.10 1 96 30 30 SER H H 7.850 0.02 1 97 30 30 SER C C 174.610 0.10 1 98 30 30 SER CA C 59.620 0.10 1 99 30 30 SER CB C 64.590 0.10 1 100 30 30 SER N N 122.840 0.20 1 101 31 31 LEU H H 7.920 0.02 1 102 31 31 LEU C C 177.610 0.10 1 103 31 31 LEU CA C 55.690 0.10 1 104 31 31 LEU CB C 41.890 0.10 1 105 31 31 LEU N N 122.810 0.20 1 106 32 32 ILE H H 7.830 0.02 1 107 32 32 ILE C C 176.570 0.10 1 108 32 32 ILE CA C 61.410 0.10 1 109 32 32 ILE CB C 38.210 0.10 1 110 32 32 ILE N N 119.850 0.20 1 111 33 33 SER H H 8.140 0.02 1 112 33 33 SER CA C 58.390 0.10 1 113 33 33 SER CB C 63.460 0.10 1 114 33 33 SER N N 118.570 0.20 1 115 34 34 ARG C C 176.670 0.10 1 116 34 34 ARG CA C 56.110 0.10 1 117 34 34 ARG CB C 30.290 0.10 1 118 35 35 GLY H H 8.210 0.02 1 119 35 35 GLY C C 173.580 0.10 1 120 35 35 GLY CA C 44.980 0.10 1 121 35 35 GLY N N 109.170 0.20 1 122 36 36 ALA H H 8.030 0.02 1 123 36 36 ALA C C 177.530 0.10 1 124 36 36 ALA CA C 52.170 0.10 1 125 36 36 ALA CB C 19.140 0.10 1 126 36 36 ALA N N 123.330 0.20 1 127 37 37 LEU H H 8.100 0.02 1 128 37 37 LEU CA C 54.940 0.10 1 129 37 37 LEU CB C 42.060 0.10 1 130 37 37 LEU N N 120.450 0.20 1 131 40 40 ASP C C 176.650 0.10 1 132 40 40 ASP CA C 54.370 0.10 1 133 40 40 ASP CB C 40.580 0.10 1 134 41 41 LEU H H 8.180 0.02 1 135 41 41 LEU C C 177.960 0.10 1 136 41 41 LEU CA C 55.510 0.10 1 137 41 41 LEU CB C 41.420 0.10 1 138 41 41 LEU N N 121.860 0.20 1 139 42 42 SER H H 8.180 0.02 1 140 42 42 SER C C 175.100 0.10 1 141 42 42 SER CA C 59.060 0.10 1 142 42 42 SER CB C 63.460 0.10 1 143 42 42 SER N N 115.360 0.20 1 144 43 43 SER H H 8.050 0.02 1 145 43 43 SER C C 174.090 0.10 1 146 43 43 SER CA C 59.040 0.10 1 147 43 43 SER CB C 63.220 0.10 1 148 43 43 SER N N 117.010 0.20 1 149 44 44 ALA H H 7.970 0.02 1 150 44 44 ALA C C 177.290 0.10 1 151 44 44 ALA CA C 52.280 0.10 1 152 44 44 ALA CB C 18.860 0.10 1 153 44 44 ALA N N 124.780 0.20 1 154 45 45 ARG H H 8.020 0.02 1 155 45 45 ARG C C 175.890 0.10 1 156 45 45 ARG CA C 55.640 0.10 1 157 45 45 ARG CB C 30.340 0.10 1 158 45 45 ARG N N 119.550 0.20 1 159 46 46 VAL H H 8.000 0.02 1 160 46 46 VAL CA C 59.620 0.10 1 161 46 46 VAL CB C 32.130 0.10 1 162 46 46 VAL N N 122.090 0.20 1 163 47 47 PRO CA C 63.040 0.10 1 164 47 47 PRO CB C 31.760 0.10 1 165 48 48 SER C C 175.120 0.10 1 166 48 48 SER CA C 58.480 0.10 1 167 48 48 SER CB C 63.490 0.10 1 168 49 49 GLY H H 8.380 0.02 1 169 49 49 GLY C C 173.830 0.10 1 170 49 49 GLY CA C 44.970 0.10 1 171 49 49 GLY N N 110.360 0.20 1 172 50 50 LEU H H 7.870 0.02 1 173 50 50 LEU C C 176.250 0.10 1 174 50 50 LEU CA C 54.850 0.10 1 175 50 50 LEU CB C 42.310 0.10 1 176 50 50 LEU N N 121.160 0.20 1 177 51 51 ARG H H 7.770 0.02 1 178 51 51 ARG C C 175.760 0.10 1 179 51 51 ARG CA C 56.990 0.10 1 180 51 51 ARG CB C 31.200 0.10 1 181 51 51 ARG N N 126.370 0.20 1 182 52 52 LEU H H 8.160 0.02 1 183 52 52 LEU C C 177.090 0.10 1 184 52 52 LEU CA C 55.230 0.10 1 185 52 52 LEU CB C 42.120 0.10 1 186 52 52 LEU N N 123.490 0.20 1 187 53 53 GLU H H 8.400 0.02 1 188 53 53 GLU C C 176.240 0.10 1 189 53 53 GLU CA C 56.420 0.10 1 190 53 53 GLU CB C 29.730 0.10 1 191 53 53 GLU N N 121.490 0.20 1 192 54 54 VAL H H 7.890 0.02 1 193 54 54 VAL C C 175.710 0.10 1 194 54 54 VAL CA C 62.260 0.10 1 195 54 54 VAL CB C 32.230 0.10 1 196 54 54 VAL N N 119.910 0.20 1 197 55 55 PHE H H 8.080 0.02 1 198 55 55 PHE CA C 57.430 0.10 1 199 55 55 PHE CB C 39.250 0.10 1 200 55 55 PHE N N 122.810 0.20 1 201 57 57 HIS C C 175.980 0.10 1 202 58 58 ASN H H 8.230 0.02 1 203 58 58 ASN C C 174.680 0.10 1 204 58 58 ASN CA C 54.340 0.10 1 205 58 58 ASN CB C 40.720 0.10 1 206 58 58 ASN N N 118.710 0.20 1 207 59 59 ASN H H 8.400 0.02 1 208 59 59 ASN C C 175.290 0.10 1 209 59 59 ASN CA C 52.890 0.10 1 210 59 59 ASN CB C 38.510 0.10 1 211 59 59 ASN N N 118.770 0.20 1 212 60 60 PHE H H 8.060 0.02 1 213 60 60 PHE CA C 55.830 0.10 1 214 60 60 PHE CB C 41.750 0.10 1 215 60 60 PHE N N 122.260 0.20 1 216 61 61 LYS C C 176.410 0.10 1 217 61 61 LYS CA C 56.090 0.10 1 218 61 61 LYS CB C 32.550 0.10 1 219 62 62 GLY H H 7.790 0.02 1 220 62 62 GLY C C 173.660 0.10 1 221 62 62 GLY CA C 44.960 0.10 1 222 62 62 GLY N N 109.190 0.20 1 223 63 63 VAL H H 7.890 0.02 1 224 63 63 VAL C C 175.900 0.10 1 225 63 63 VAL CA C 62.160 0.10 1 226 63 63 VAL CB C 32.360 0.10 1 227 63 63 VAL N N 118.890 0.20 1 228 64 64 ARG H H 8.220 0.02 1 229 64 64 ARG CA C 55.810 0.10 1 230 64 64 ARG CB C 30.580 0.10 1 231 64 64 ARG N N 124.790 0.20 1 232 66 66 PHE H H 8.230 0.02 1 233 66 66 PHE C C 175.040 0.10 1 234 66 66 PHE CA C 57.250 0.10 1 235 66 66 PHE CB C 39.390 0.10 1 236 66 66 PHE N N 123.920 0.20 1 237 67 67 TYR H H 8.050 0.02 1 238 67 67 TYR C C 175.480 0.10 1 239 67 67 TYR CA C 57.560 0.10 1 240 67 67 TYR CB C 38.580 0.10 1 241 67 67 TYR N N 120.660 0.20 1 242 68 68 THR H H 7.860 0.02 1 243 68 68 THR C C 173.960 0.10 1 244 68 68 THR CA C 61.110 0.10 1 245 68 68 THR CB C 69.580 0.10 1 246 68 68 THR N N 115.420 0.20 1 247 69 69 SER H H 8.180 0.02 1 248 69 69 SER C C 174.090 0.10 1 249 69 69 SER CA C 58.170 0.10 1 250 69 69 SER CB C 63.600 0.10 1 251 69 69 SER N N 117.680 0.20 1 252 70 70 ASP H H 8.280 0.02 1 253 70 70 ASP C C 176.320 0.10 1 254 70 70 ASP CA C 54.160 0.10 1 255 70 70 ASP CB C 40.870 0.10 1 256 70 70 ASP N N 122.360 0.20 1 257 71 71 ALA H H 8.200 0.02 1 258 71 71 ALA C C 177.790 0.10 1 259 71 71 ALA CA C 52.880 0.10 1 260 71 71 ALA CB C 18.580 0.10 1 261 71 71 ALA N N 124.480 0.20 1 262 72 72 ALA H H 8.130 0.02 1 263 72 72 ALA C C 178.120 0.10 1 264 72 72 ALA CA C 52.760 0.10 1 265 72 72 ALA CB C 18.580 0.10 1 266 72 72 ALA N N 122.500 0.20 1 267 73 73 GLU H H 8.150 0.02 1 268 73 73 GLU C C 176.660 0.10 1 269 73 73 GLU CA C 56.690 0.10 1 270 73 73 GLU CB C 29.710 0.10 1 271 73 73 GLU N N 119.020 0.20 1 272 74 74 LEU H H 7.990 0.02 1 273 74 74 LEU C C 177.440 0.10 1 274 74 74 LEU CA C 55.240 0.10 1 275 74 74 LEU CB C 42.010 0.10 1 276 74 74 LEU N N 121.930 0.20 1 277 75 75 SER H H 8.090 0.02 1 278 75 75 SER C C 174.560 0.10 1 279 75 75 SER CA C 58.180 0.10 1 280 75 75 SER CB C 63.460 0.10 1 281 75 75 SER N N 115.670 0.20 1 282 76 76 ARG H H 8.180 0.02 1 283 76 76 ARG C C 175.720 0.10 1 284 76 76 ARG CA C 56.030 0.10 1 285 76 76 ARG CB C 30.330 0.10 1 286 76 76 ARG N N 122.720 0.20 1 287 77 77 ASP H H 8.290 0.02 1 288 77 77 ASP C C 176.980 0.10 1 289 77 77 ASP CA C 54.930 0.10 1 290 77 77 ASP CB C 42.000 0.10 1 291 77 77 ASP N N 121.510 0.20 1 292 78 78 ASN H H 8.230 0.02 1 293 78 78 ASN C C 174.770 0.10 1 294 78 78 ASN CA C 53.150 0.10 1 295 78 78 ASN CB C 38.800 0.10 1 296 78 78 ASN N N 118.480 0.20 1 297 79 79 ASP H H 8.160 0.02 1 298 79 79 ASP C C 175.980 0.10 1 299 79 79 ASP CA C 54.330 0.10 1 300 79 79 ASP CB C 40.850 0.10 1 301 79 79 ASP N N 120.410 0.20 1 302 80 80 ALA H H 8.090 0.02 1 303 80 80 ALA C C 178.140 0.10 1 304 80 80 ALA CA C 52.790 0.10 1 305 80 80 ALA CB C 18.580 0.10 1 306 80 80 ALA N N 124.080 0.20 1 307 81 81 SER H H 8.200 0.02 1 308 81 81 SER C C 174.790 0.10 1 309 81 81 SER CA C 58.770 0.10 1 310 81 81 SER CB C 63.460 0.10 1 311 81 81 SER N N 113.920 0.20 1 312 82 82 SER H H 8.030 0.02 1 313 82 82 SER C C 174.340 0.10 1 314 82 82 SER CA C 58.750 0.10 1 315 82 82 SER CB C 63.420 0.10 1 316 82 82 SER N N 117.310 0.20 1 317 83 83 VAL H H 7.860 0.02 1 318 83 83 VAL CA C 62.290 0.10 1 319 83 83 VAL CB C 32.070 0.10 1 320 83 83 VAL N N 121.170 0.20 1 321 84 84 ARG H H 8.420 0.02 1 322 84 84 ARG C C 176.060 0.10 1 323 84 84 ARG CA C 55.810 0.10 1 324 84 84 ARG CB C 30.000 0.10 1 325 84 84 ARG N N 124.730 0.20 1 326 85 85 VAL H H 8.100 0.02 1 327 85 85 VAL C C 175.980 0.10 1 328 85 85 VAL CA C 61.980 0.10 1 329 85 85 VAL CB C 32.410 0.10 1 330 85 85 VAL N N 121.430 0.20 1 331 86 86 SER H H 8.310 0.02 1 332 86 86 SER C C 175.540 0.10 1 333 86 86 SER CA C 57.890 0.10 1 334 86 86 SER CB C 63.450 0.10 1 335 86 86 SER N N 119.690 0.20 1 336 87 87 LYS H H 8.280 0.02 1 337 87 87 LYS C C 176.110 0.10 1 338 87 87 LYS CA C 58.010 0.10 1 339 87 87 LYS CB C 63.640 0.10 1 340 87 87 LYS N N 123.660 0.20 1 341 88 88 MET H H 8.300 0.02 1 342 88 88 MET C C 175.930 0.10 1 343 88 88 MET CA C 55.230 0.10 1 344 88 88 MET CB C 32.690 0.10 1 345 88 88 MET N N 121.620 0.20 1 346 89 89 GLU H H 8.400 0.02 1 347 89 89 GLU C C 176.310 0.10 1 348 89 89 GLU CA C 56.140 0.10 1 349 89 89 GLU CB C 30.040 0.10 1 350 89 89 GLU N N 122.330 0.20 1 351 90 90 THR H H 8.170 0.02 1 352 90 90 THR C C 174.350 0.10 1 353 90 90 THR CA C 61.370 0.10 1 354 90 90 THR CB C 69.600 0.10 1 355 90 90 THR N N 115.050 0.20 1 356 91 91 THR H H 8.140 0.02 1 357 91 91 THR C C 173.350 0.10 1 358 91 91 THR CA C 61.310 0.10 1 359 91 91 THR CB C 69.590 0.10 1 360 91 91 THR N N 116.130 0.20 1 361 92 92 ASN H H 8.020 0.02 1 362 92 92 ASN CA C 54.650 0.10 1 363 92 92 ASN CB C 40.010 0.10 1 364 92 92 ASN N N 126.140 0.20 1 stop_ save_