data_6844 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Drosophila melanogaster SNF RBD2 ; _BMRB_accession_number 6844 _BMRB_flat_file_name bmr6844.str _Entry_type original _Submission_date 2005-09-29 _Accession_date 2005-10-20 _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 Cui G. . . 2 Li C. . . 3 Jin C. . . 4 Xia B. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 509 "13C chemical shifts" 339 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original author . stop_ _Original_release_date 2009-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Novel Functional Mechanism of Drosophila SNF in Sex-Lethal Splicing' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19727396 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jicheng Hu . . 2 Gaofeng Cui . . 3 Congmin Li . . 4 Cong Liu . . 5 Erchang Shang . . 6 Luhua Lai . . 7 Changwen Jin . . 8 Jiwu Wang . . 9 Bin Xia . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 4 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6890 _Page_last . _Year 2009 _Details . loop_ _Keyword 'RNA binding' 'RNA splicing' 'SNF RBD2' 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_U1_A _Saveframe_category molecular_system _Mol_system_name 'U1 small nuclear ribonucleoprotein A' _Abbreviation_common 'U1 small nuclear ribonucleoprotein A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U1 small nuclear ribonucleoprotein A' $U1_A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_U1_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'U1 small nuclear ribonucleoprotein A' _Abbreviation_common 'U1 small nuclear ribonucleoprotein A' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; AQTEQPPNQILFLTNLPEET NEMMLSMLFNQFPGFKEVRL VPNRHDIAFVEFTTELQSNA AKEALQGFKITPTHAMKITF AKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 134 ALA 2 135 GLN 3 136 THR 4 137 GLU 5 138 GLN 6 139 PRO 7 140 PRO 8 141 ASN 9 142 GLN 10 143 ILE 11 144 LEU 12 145 PHE 13 146 LEU 14 147 THR 15 148 ASN 16 149 LEU 17 150 PRO 18 151 GLU 19 152 GLU 20 153 THR 21 154 ASN 22 155 GLU 23 156 MET 24 157 MET 25 158 LEU 26 159 SER 27 160 MET 28 161 LEU 29 162 PHE 30 163 ASN 31 164 GLN 32 165 PHE 33 166 PRO 34 167 GLY 35 168 PHE 36 169 LYS 37 170 GLU 38 171 VAL 39 172 ARG 40 173 LEU 41 174 VAL 42 175 PRO 43 176 ASN 44 177 ARG 45 178 HIS 46 179 ASP 47 180 ILE 48 181 ALA 49 182 PHE 50 183 VAL 51 184 GLU 52 185 PHE 53 186 THR 54 187 THR 55 188 GLU 56 189 LEU 57 190 GLN 58 191 SER 59 192 ASN 60 193 ALA 61 194 ALA 62 195 LYS 63 196 GLU 64 197 ALA 65 198 LEU 66 199 GLN 67 200 GLY 68 201 PHE 69 202 LYS 70 203 ILE 71 204 THR 72 205 PRO 73 206 THR 74 207 HIS 75 208 ALA 76 209 MET 77 210 LYS 78 211 ILE 79 212 THR 80 213 PHE 81 214 ALA 82 215 LYS 83 216 LYS 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 PDB 2AYM "Solution Structure Of Drosophila Melanogaster Snf Rbd2" 100.00 83 100.00 100.00 1.13e-51 PDB 2B0G "Solution Structure Of Drosophila Melanogaster Snf Rbd2" 100.00 83 100.00 100.00 1.13e-51 GB AAA28441 "small nuclear ribonucleoprotein [Drosophila melanogaster]" 100.00 216 100.00 100.00 7.07e-51 GB AAA28903 "nuclear protein [Drosophila melanogaster]" 100.00 216 100.00 100.00 7.07e-51 GB AAF46017 "sans fille [Drosophila melanogaster]" 100.00 216 100.00 100.00 7.07e-51 GB AAL29039 "LD45302p [Drosophila melanogaster]" 100.00 216 100.00 100.00 7.07e-51 GB ACL84772 "snf-PA, partial [synthetic construct]" 100.00 216 100.00 100.00 7.07e-51 REF NP_511045 "sans fille [Drosophila melanogaster]" 100.00 216 100.00 100.00 7.07e-51 REF XP_001355411 "GA18235 [Drosophila pseudoobscura pseudoobscura]" 98.80 216 100.00 100.00 5.01e-50 REF XP_001964014 "GF21334 [Drosophila ananassae]" 98.80 216 100.00 100.00 2.92e-50 REF XP_001976948 "GG18748 [Drosophila erecta]" 98.80 216 100.00 100.00 3.58e-50 REF XP_001992159 "GH24608 [Drosophila grimshawi]" 98.80 216 100.00 100.00 2.92e-50 SP P43332 "RecName: Full=U1 small nuclear ribonucleoprotein A; Short=U1 snRNP A; Short=U1-A; Short=U1A; AltName: Full=Sex determination pr" 100.00 216 100.00 100.00 7.07e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $U1_A 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $U1_A '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 _Isotopic_labeling $U1_A 1 mM '[U-15N; U-13C]' 'phosphate buffer' 50 mM . EDTA 1 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Frank Delaglio' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Task 'data analysis' stop_ _Details 'Bruce Johnson' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task 'structure solution' stop_ _Details 'Peter Guntert' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7.0 loop_ _Task refinement stop_ _Details 'David Case' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'U1 small nuclear ribonucleoprotein A' _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 ALA H H 8.383 . 1 2 . 1 ALA CA C 52.770 . 1 3 . 1 ALA HA H 4.320 . 1 4 . 1 ALA CB C 19.130 . 1 5 . 1 ALA HB H 1.420 . 1 6 . 1 ALA C C 177.690 . 1 7 . 2 GLN N N 120.900 . 1 8 . 2 GLN H H 8.483 . 1 9 . 2 GLN CA C 56.100 . 1 10 . 2 GLN HA H 4.430 . 1 11 . 2 GLN CB C 29.600 . 1 12 . 2 GLN HB2 H 2.157 . 2 13 . 2 GLN HB3 H 1.997 . 2 14 . 2 GLN CG C 33.960 . 1 15 . 2 GLN HG2 H 2.388 . 2 16 . 2 GLN NE2 N 113.500 . 1 17 . 2 GLN HE21 H 7.583 . 2 18 . 2 GLN HE22 H 6.840 . 2 19 . 2 GLN C C 176.122 . 1 20 . 3 THR N N 116.410 . 1 21 . 3 THR H H 8.218 . 1 22 . 3 THR CA C 61.930 . 1 23 . 3 THR HA H 4.370 . 1 24 . 3 THR CB C 70.100 . 1 25 . 3 THR HB H 4.244 . 1 26 . 3 THR CG2 C 21.810 . 1 27 . 3 THR HG2 H 1.230 . 1 28 . 3 THR C C 174.589 . 1 29 . 4 GLU N N 124.410 . 1 30 . 4 GLU H H 8.486 . 1 31 . 4 GLU CA C 56.610 . 1 32 . 4 GLU HA H 4.436 . 1 33 . 4 GLU CB C 30.600 . 1 34 . 4 GLU HB2 H 2.120 . 2 35 . 4 GLU HB3 H 2.000 . 2 36 . 4 GLU CG C 36.290 . 1 37 . 4 GLU HG2 H 2.390 . 2 38 . 4 GLU HG3 H 2.326 . 2 39 . 5 GLN N N 124.040 . 1 40 . 5 GLN H H 8.567 . 1 41 . 5 GLN CA C 53.700 . 1 42 . 5 GLN HA H 4.620 . 1 43 . 5 GLN CB C 28.850 . 1 44 . 5 GLN HB2 H 2.322 . 2 45 . 5 GLN HB3 H 2.080 . 2 46 . 5 GLN CG C 33.660 . 1 47 . 5 GLN HG2 H 2.594 . 2 48 . 5 GLN HG3 H 2.423 . 2 49 . 5 GLN NE2 N 114.298 . 1 50 . 5 GLN HE21 H 7.632 . 2 51 . 5 GLN HE22 H 6.992 . 2 52 . 6 PRO CA C 61.430 . 1 53 . 6 PRO HA H 4.650 . 1 54 . 6 PRO CB C 30.850 . 1 55 . 6 PRO HB2 H 2.316 . 2 56 . 6 PRO HB3 H 1.850 . 2 57 . 6 PRO CG C 27.300 . 1 58 . 6 PRO HG2 H 2.036 . 2 59 . 6 PRO HG3 H 1.964 . 2 60 . 6 PRO CD C 50.610 . 1 61 . 6 PRO HD2 H 3.760 . 2 62 . 7 PRO CA C 62.700 . 1 63 . 7 PRO HA H 1.585 . 1 64 . 7 PRO CB C 32.210 . 1 65 . 7 PRO HB2 H 1.527 . 2 66 . 7 PRO HB3 H 1.408 . 2 67 . 7 PRO CG C 27.600 . 1 68 . 7 PRO HG2 H 1.882 . 2 69 . 7 PRO HG3 H 1.675 . 2 70 . 7 PRO CD C 50.090 . 1 71 . 7 PRO HD2 H 3.693 . 2 72 . 7 PRO HD3 H 3.351 . 2 73 . 7 PRO C C 174.641 . 1 74 . 8 ASN N N 118.448 . 1 75 . 8 ASN H H 6.401 . 1 76 . 8 ASN CA C 51.740 . 1 77 . 8 ASN HA H 4.846 . 1 78 . 8 ASN CB C 41.750 . 1 79 . 8 ASN HB2 H 3.180 . 2 80 . 8 ASN HB3 H 2.919 . 2 81 . 8 ASN ND2 N 113.500 . 1 82 . 8 ASN HD21 H 7.530 . 2 83 . 8 ASN HD22 H 7.021 . 2 84 . 8 ASN C C 174.589 . 1 85 . 9 GLN N N 126.580 . 1 86 . 9 GLN H H 9.433 . 1 87 . 9 GLN CA C 59.000 . 1 88 . 9 GLN HA H 4.134 . 1 89 . 9 GLN CB C 27.850 . 1 90 . 9 GLN HB2 H 2.270 . 2 91 . 9 GLN HB3 H 2.181 . 2 92 . 9 GLN CG C 34.270 . 1 93 . 9 GLN HG2 H 2.380 . 1 94 . 9 GLN HG3 H 2.380 . 1 95 . 9 GLN NE2 N 112.584 . 1 96 . 9 GLN HE21 H 7.666 . 2 97 . 9 GLN HE22 H 6.897 . 2 98 . 9 GLN C C 173.212 . 1 99 . 10 ILE N N 119.780 . 1 100 . 10 ILE H H 7.892 . 1 101 . 10 ILE CA C 60.350 . 1 102 . 10 ILE HA H 5.030 . 1 103 . 10 ILE CB C 39.000 . 1 104 . 10 ILE HB H 1.728 . 1 105 . 10 ILE CG1 C 28.900 . 2 106 . 10 ILE HG13 H 0.833 . 1 107 . 10 ILE HG12 H 0.782 . 1 108 . 10 ILE CD1 C 13.370 . 1 109 . 10 ILE HD1 H 0.781 . 1 110 . 10 ILE CG2 C 18.980 . 1 111 . 10 ILE HG2 H 1.024 . 1 112 . 10 ILE C C 175.233 . 1 113 . 11 LEU N N 125.920 . 1 114 . 11 LEU H H 9.678 . 1 115 . 11 LEU CA C 53.050 . 1 116 . 11 LEU HA H 5.094 . 1 117 . 11 LEU CB C 44.620 . 1 118 . 11 LEU HB2 H 1.836 . 2 119 . 11 LEU HB3 H 1.293 . 2 120 . 11 LEU CG C 26.680 . 1 121 . 11 LEU HG H 1.921 . 1 122 . 11 LEU CD1 C 25.000 . 1 123 . 11 LEU HD1 H 0.920 . 2 124 . 11 LEU CD2 C 23.570 . 1 125 . 11 LEU HD2 H 0.724 . 2 126 . 11 LEU C C 175.233 . 1 127 . 12 PHE N N 123.690 . 1 128 . 12 PHE H H 9.411 . 1 129 . 12 PHE CA C 55.070 . 1 130 . 12 PHE HA H 5.158 . 1 131 . 12 PHE CB C 41.070 . 1 132 . 12 PHE HB2 H 2.982 . 2 133 . 12 PHE HB3 H 2.590 . 2 134 . 12 PHE HD2 H 6.570 . 3 135 . 12 PHE HE1 H 7.190 . 3 136 . 12 PHE HZ H 6.880 . 1 137 . 12 PHE C C 173.177 . 1 138 . 13 LEU N N 130.080 . 1 139 . 13 LEU H H 8.780 . 1 140 . 13 LEU CA C 52.850 . 1 141 . 13 LEU HA H 5.115 . 1 142 . 13 LEU CB C 44.080 . 1 143 . 13 LEU HB2 H 1.537 . 2 144 . 13 LEU HB3 H 1.302 . 2 145 . 13 LEU CG C 28.450 . 1 146 . 13 LEU HG H 1.556 . 1 147 . 13 LEU CD1 C 25.800 . 1 148 . 13 LEU HD1 H 0.850 . 2 149 . 13 LEU CD2 C 26.000 . 1 150 . 13 LEU HD2 H 0.780 . 2 151 . 13 LEU C C 175.129 . 1 152 . 14 THR N N 108.810 . 1 153 . 14 THR H H 8.502 . 1 154 . 14 THR CA C 59.430 . 1 155 . 14 THR HA H 5.011 . 1 156 . 14 THR CB C 72.300 . 1 157 . 14 THR HB H 4.191 . 1 158 . 14 THR CG2 C 22.850 . 1 159 . 14 THR HG2 H 0.659 . 1 160 . 14 THR C C 174.066 . 1 161 . 15 ASN N N 116.105 . 1 162 . 15 ASN H H 8.841 . 1 163 . 15 ASN CA C 54.040 . 1 164 . 15 ASN HA H 4.440 . 1 165 . 15 ASN CB C 38.940 . 1 166 . 15 ASN HB2 H 3.750 . 2 167 . 15 ASN HB3 H 2.512 . 2 168 . 15 ASN ND2 N 111.951 . 1 169 . 15 ASN HD21 H 7.967 . 2 170 . 15 ASN HD22 H 6.810 . 2 171 . 15 ASN C C 174.745 . 1 172 . 16 LEU N N 116.330 . 1 173 . 16 LEU H H 8.127 . 1 174 . 16 LEU CA C 52.500 . 1 175 . 16 LEU HA H 4.420 . 1 176 . 16 LEU CB C 38.890 . 1 177 . 16 LEU HB2 H 1.801 . 2 178 . 16 LEU HB3 H 1.620 . 2 179 . 16 LEU CG C 26.600 . 1 180 . 16 LEU HG H 0.578 . 1 181 . 16 LEU CD1 C 23.200 . 1 182 . 16 LEU HD1 H 0.761 . 2 183 . 17 PRO CA C 61.850 . 1 184 . 17 PRO HA H 3.791 . 1 185 . 17 PRO CB C 31.730 . 1 186 . 17 PRO HB2 H 1.990 . 2 187 . 17 PRO HB3 H 1.100 . 2 188 . 17 PRO CG C 27.100 . 1 189 . 17 PRO HG2 H 1.726 . 1 190 . 17 PRO HG3 H 1.726 . 1 191 . 17 PRO CD C 49.500 . 1 192 . 17 PRO HD2 H 3.634 . 2 193 . 17 PRO HD3 H 3.408 . 2 194 . 17 PRO C C 177.411 . 1 195 . 18 GLU N N 121.430 . 1 196 . 18 GLU H H 8.801 . 1 197 . 18 GLU CA C 59.150 . 1 198 . 18 GLU HA H 3.566 . 1 199 . 18 GLU CB C 29.300 . 1 200 . 18 GLU HB2 H 1.810 . 1 201 . 18 GLU HB3 H 1.810 . 1 202 . 18 GLU CG C 36.478 . 1 203 . 18 GLU HG2 H 2.104 . 1 204 . 18 GLU HG3 H 2.104 . 1 205 . 18 GLU C C 177.010 . 1 206 . 19 GLU N N 115.330 . 1 207 . 19 GLU H H 8.711 . 1 208 . 19 GLU CA C 57.650 . 1 209 . 19 GLU HA H 4.071 . 1 210 . 19 GLU CB C 28.400 . 1 211 . 19 GLU HB2 H 2.020 . 2 212 . 19 GLU HB3 H 1.910 . 2 213 . 19 GLU CG C 36.560 . 1 214 . 19 GLU HG2 H 2.155 . 1 215 . 19 GLU HG3 H 2.155 . 1 216 . 19 GLU C C 175.791 . 1 217 . 20 THR N N 118.180 . 1 218 . 20 THR H H 7.462 . 1 219 . 20 THR CA C 66.150 . 1 220 . 20 THR HA H 3.954 . 1 221 . 20 THR CB C 68.700 . 1 222 . 20 THR HB H 4.089 . 1 223 . 20 THR CG2 C 22.800 . 1 224 . 20 THR HG2 H 1.180 . 1 225 . 20 THR HG1 H 5.656 . 1 226 . 20 THR C C 173.665 . 1 227 . 21 ASN N N 121.390 . 1 228 . 21 ASN H H 7.257 . 1 229 . 21 ASN CA C 51.180 . 1 230 . 21 ASN HA H 4.870 . 1 231 . 21 ASN CB C 40.670 . 1 232 . 21 ASN HB2 H 3.241 . 2 233 . 21 ASN HB3 H 2.965 . 2 234 . 21 ASN ND2 N 113.900 . 1 235 . 21 ASN HD21 H 7.583 . 2 236 . 21 ASN HD22 H 6.840 . 2 237 . 21 ASN C C 174.380 . 1 238 . 22 GLU N N 119.810 . 1 239 . 22 GLU H H 9.365 . 1 240 . 22 GLU CA C 60.850 . 1 241 . 22 GLU HA H 3.807 . 1 242 . 22 GLU CB C 29.600 . 1 243 . 22 GLU HB2 H 2.160 . 2 244 . 22 GLU HB3 H 2.095 . 2 245 . 22 GLU CG C 36.539 . 1 246 . 22 GLU HG2 H 2.301 . 1 247 . 22 GLU HG3 H 2.301 . 1 248 . 22 GLU C C 178.369 . 1 249 . 23 MET N N 122.220 . 1 250 . 23 MET H H 8.490 . 1 251 . 23 MET CA C 59.050 . 1 252 . 23 MET HA H 4.244 . 1 253 . 23 MET CB C 31.800 . 1 254 . 23 MET HB2 H 2.190 . 2 255 . 23 MET HB3 H 2.080 . 2 256 . 23 MET CG C 32.060 . 1 257 . 23 MET HG2 H 2.650 . 2 258 . 23 MET HG3 H 2.540 . 2 259 . 23 MET C C 178.820 . 1 260 . 24 MET N N 119.530 . 1 261 . 24 MET H H 8.421 . 1 262 . 24 MET CA C 58.990 . 1 263 . 24 MET HA H 4.059 . 1 264 . 24 MET CB C 34.310 . 1 265 . 24 MET HB2 H 2.340 . 2 266 . 24 MET HB3 H 2.111 . 2 267 . 24 MET CG C 31.800 . 1 268 . 24 MET HG2 H 2.746 . 2 269 . 24 MET HG3 H 2.529 . 2 270 . 24 MET C C 178.752 . 1 271 . 25 LEU N N 115.730 . 1 272 . 25 LEU H H 7.422 . 1 273 . 25 LEU CA C 57.300 . 1 274 . 25 LEU HA H 4.270 . 1 275 . 25 LEU CB C 43.570 . 1 276 . 25 LEU HB2 H 2.037 . 2 277 . 25 LEU HB3 H 1.316 . 2 278 . 25 LEU CG C 26.350 . 1 279 . 25 LEU HG H 0.665 . 1 280 . 25 LEU CD1 C 22.500 . 1 281 . 25 LEU HD1 H 0.840 . 2 282 . 25 LEU CD2 C 27.000 . 1 283 . 25 LEU HD2 H 1.870 . 2 284 . 25 LEU C C 179.360 . 1 285 . 26 SER N N 118.340 . 1 286 . 26 SER H H 9.110 . 1 287 . 26 SER CA C 62.850 . 1 288 . 26 SER HA H 3.896 . 1 289 . 26 SER CB C 62.850 . 1 290 . 26 SER HB2 H 4.111 . 2 291 . 26 SER HB3 H 4.017 . 2 292 . 26 SER C C 175.477 . 1 293 . 27 MET N N 118.660 . 1 294 . 27 MET H H 7.988 . 1 295 . 27 MET CA C 58.200 . 1 296 . 27 MET HA H 4.050 . 1 297 . 27 MET CB C 32.190 . 1 298 . 27 MET HB2 H 2.175 . 1 299 . 27 MET HB3 H 2.175 . 1 300 . 27 MET CG C 32.200 . 1 301 . 27 MET HG2 H 2.695 . 1 302 . 27 MET HG3 H 2.695 . 1 303 . 27 MET CE C 17.250 . 1 304 . 27 MET HE H 2.100 . 1 305 . 27 MET C C 177.725 . 1 306 . 28 LEU N N 117.380 . 1 307 . 28 LEU H H 7.032 . 1 308 . 28 LEU CA C 56.730 . 1 309 . 28 LEU HA H 4.048 . 1 310 . 28 LEU CB C 42.790 . 1 311 . 28 LEU HB2 H 1.008 . 2 312 . 28 LEU HB3 H 1.636 . 2 313 . 28 LEU CG C 25.850 . 1 314 . 28 LEU HG H 1.466 . 1 315 . 28 LEU CD1 C 23.320 . 1 316 . 28 LEU HD1 H 0.343 . 2 317 . 28 LEU CD2 C 24.800 . 1 318 . 28 LEU HD2 H 0.500 . 2 319 . 28 LEU C C 178.544 . 1 320 . 29 PHE N N 114.460 . 1 321 . 29 PHE H H 7.725 . 1 322 . 29 PHE CA C 62.290 . 1 323 . 29 PHE HA H 4.344 . 1 324 . 29 PHE CB C 40.510 . 1 325 . 29 PHE HB2 H 3.069 . 2 326 . 29 PHE HB3 H 2.327 . 2 327 . 29 PHE HD1 H 7.538 . 3 328 . 29 PHE HE1 H 7.390 . 3 329 . 29 PHE HZ H 7.080 . 1 330 . 29 PHE C C 176.418 . 1 331 . 30 ASN N N 116.540 . 1 332 . 30 ASN H H 8.323 . 1 333 . 30 ASN CA C 54.100 . 1 334 . 30 ASN HA H 4.040 . 1 335 . 30 ASN CB C 37.630 . 1 336 . 30 ASN HB2 H 2.560 . 2 337 . 30 ASN HB3 H 2.250 . 2 338 . 30 ASN ND2 N 110.590 . 1 339 . 30 ASN HD21 H 6.532 . 2 340 . 30 ASN HD22 H 7.270 . 2 341 . 30 ASN C C 176.192 . 1 342 . 31 GLN N N 115.020 . 1 343 . 31 GLN H H 6.903 . 1 344 . 31 GLN CA C 56.250 . 1 345 . 31 GLN HA H 4.025 . 1 346 . 31 GLN CB C 29.200 . 1 347 . 31 GLN HB2 H 1.818 . 2 348 . 31 GLN HB3 H 1.590 . 2 349 . 31 GLN CG C 34.130 . 1 350 . 31 GLN HG2 H 2.060 . 1 351 . 31 GLN HG3 H 2.060 . 1 352 . 31 GLN NE2 N 113.096 . 1 353 . 31 GLN HE21 H 7.735 . 2 354 . 31 GLN HE22 H 6.837 . 2 355 . 31 GLN C C 175.408 . 1 356 . 32 PHE N N 121.200 . 1 357 . 32 PHE H H 7.847 . 1 358 . 32 PHE CA C 56.500 . 1 359 . 32 PHE HA H 4.740 . 1 360 . 32 PHE CB C 39.390 . 1 361 . 32 PHE HB2 H 3.786 . 2 362 . 32 PHE HB3 H 3.325 . 2 363 . 32 PHE HD1 H 7.355 . 3 364 . 32 PHE HE1 H 7.025 . 3 365 . 32 PHE HZ H 7.141 . 1 366 . 33 PRO CA C 63.940 . 1 367 . 33 PRO HA H 4.462 . 1 368 . 33 PRO CB C 32.670 . 1 369 . 33 PRO HB2 H 2.460 . 2 370 . 33 PRO HB3 H 2.029 . 2 371 . 33 PRO CG C 27.820 . 1 372 . 33 PRO HG2 H 2.254 . 2 373 . 33 PRO HG3 H 2.134 . 2 374 . 33 PRO CD C 51.190 . 1 375 . 33 PRO HD2 H 4.054 . 2 376 . 33 PRO HD3 H 3.986 . 2 377 . 33 PRO C C 177.529 . 1 378 . 34 GLY N N 109.760 . 1 379 . 34 GLY H H 8.923 . 1 380 . 34 GLY CA C 45.500 . 1 381 . 34 GLY HA2 H 3.810 . 2 382 . 34 GLY HA3 H 4.625 . 2 383 . 34 GLY C C 175.181 . 1 384 . 35 PHE N N 121.740 . 1 385 . 35 PHE H H 7.496 . 1 386 . 35 PHE CA C 60.240 . 1 387 . 35 PHE HA H 5.067 . 1 388 . 35 PHE CB C 39.120 . 1 389 . 35 PHE HB2 H 3.320 . 2 390 . 35 PHE HB3 H 2.880 . 2 391 . 35 PHE HD1 H 6.640 . 3 392 . 35 PHE HE1 H 7.232 . 2 393 . 35 PHE HZ H 7.081 . 1 394 . 35 PHE C C 174.589 . 1 395 . 36 LYS N N 128.390 . 1 396 . 36 LYS H H 8.017 . 1 397 . 36 LYS CA C 57.190 . 1 398 . 36 LYS HA H 4.150 . 1 399 . 36 LYS CB C 33.980 . 1 400 . 36 LYS HB2 H 1.350 . 2 401 . 36 LYS HB3 H 1.103 . 2 402 . 36 LYS CG C 24.430 . 1 403 . 36 LYS HG2 H 1.270 . 2 404 . 36 LYS HG3 H 1.031 . 2 405 . 36 LYS CD C 29.120 . 1 406 . 36 LYS HD2 H 1.520 . 2 407 . 36 LYS HD3 H 1.271 . 2 408 . 36 LYS CE C 41.640 . 1 409 . 36 LYS HE2 H 2.830 . 1 410 . 36 LYS HE3 H 2.830 . 1 411 . 36 LYS C C 174.641 . 1 412 . 37 GLU N N 111.556 . 1 413 . 37 GLU H H 6.516 . 1 414 . 37 GLU CA C 55.770 . 1 415 . 37 GLU HA H 4.200 . 1 416 . 37 GLU CB C 31.970 . 1 417 . 37 GLU HB2 H 1.994 . 2 418 . 37 GLU HB3 H 1.752 . 2 419 . 37 GLU CG C 34.600 . 1 420 . 37 GLU HG2 H 1.842 . 2 421 . 37 GLU HG3 H 1.776 . 2 422 . 37 GLU C C 173.386 . 1 423 . 38 VAL N N 121.490 . 1 424 . 38 VAL H H 8.660 . 1 425 . 38 VAL CA C 60.780 . 1 426 . 38 VAL HA H 4.780 . 1 427 . 38 VAL CB C 33.970 . 1 428 . 38 VAL HB H 2.066 . 1 429 . 38 VAL CG2 C 21.910 . 1 430 . 38 VAL HG2 H 1.007 . 2 431 . 38 VAL CG1 C 21.500 . 1 432 . 38 VAL HG1 H 1.115 . 2 433 . 38 VAL C C 174.467 . 1 434 . 39 ARG N N 125.840 . 1 435 . 39 ARG H H 9.227 . 1 436 . 39 ARG CA C 55.550 . 1 437 . 39 ARG HA H 4.765 . 1 438 . 39 ARG CB C 33.900 . 1 439 . 39 ARG HB2 H 1.807 . 2 440 . 39 ARG HB3 H 1.773 . 2 441 . 39 ARG CG C 28.000 . 1 442 . 39 ARG HG2 H 1.506 . 2 443 . 39 ARG HG3 H 1.430 . 2 444 . 39 ARG CD C 43.570 . 1 445 . 39 ARG HD2 H 3.007 . 2 446 . 39 ARG HD3 H 3.267 . 2 447 . 39 ARG NE N 108.062 . 1 448 . 39 ARG HE H 7.348 . 1 449 . 39 ARG C C 174.815 . 1 450 . 40 LEU N N 123.840 . 1 451 . 40 LEU H H 8.657 . 1 452 . 40 LEU CA C 53.840 . 1 453 . 40 LEU HA H 4.650 . 1 454 . 40 LEU CB C 41.700 . 1 455 . 40 LEU HB2 H 1.820 . 2 456 . 40 LEU HB3 H 1.626 . 2 457 . 40 LEU CG C 27.570 . 1 458 . 40 LEU HG H 1.710 . 1 459 . 40 LEU CD1 C 25.820 . 1 460 . 40 LEU HD1 H 0.954 . 2 461 . 40 LEU CD2 C 22.660 . 1 462 . 40 LEU HD2 H 0.794 . 2 463 . 40 LEU C C 177.237 . 1 464 . 41 VAL N N 125.360 . 1 465 . 41 VAL H H 9.686 . 1 466 . 41 VAL CA C 59.800 . 1 467 . 41 VAL HA H 4.528 . 1 468 . 41 VAL CB C 33.400 . 1 469 . 41 VAL HB H 2.061 . 1 470 . 41 VAL CG2 C 21.700 . 1 471 . 41 VAL HG2 H 1.077 . 2 472 . 41 VAL CG1 C 21.010 . 1 473 . 41 VAL HG1 H 1.061 . 2 474 . 42 PRO CA C 64.400 . 1 475 . 42 PRO HA H 4.233 . 1 476 . 42 PRO CB C 32.020 . 1 477 . 42 PRO HB2 H 2.309 . 2 478 . 42 PRO HB3 H 1.865 . 2 479 . 42 PRO CG C 27.730 . 1 480 . 42 PRO HG2 H 2.108 . 2 481 . 42 PRO HG3 H 2.007 . 2 482 . 42 PRO CD C 51.400 . 1 483 . 42 PRO HD2 H 3.941 . 2 484 . 42 PRO HD3 H 3.720 . 2 485 . 42 PRO C C 176.962 . 1 486 . 43 ASN N N 114.660 . 1 487 . 43 ASN H H 8.749 . 1 488 . 43 ASN CA C 54.980 . 1 489 . 43 ASN HA H 4.365 . 1 490 . 43 ASN CB C 37.960 . 1 491 . 43 ASN HB2 H 3.071 . 2 492 . 43 ASN HB3 H 3.022 . 2 493 . 43 ASN ND2 N 114.580 . 1 494 . 43 ASN HD21 H 7.613 . 2 495 . 43 ASN HD22 H 6.995 . 2 496 . 43 ASN C C 174.310 . 1 497 . 44 ARG N N 118.980 . 1 498 . 44 ARG H H 7.767 . 1 499 . 44 ARG CA C 54.100 . 1 500 . 44 ARG HA H 4.800 . 1 501 . 44 ARG CB C 32.400 . 1 502 . 44 ARG HB2 H 1.885 . 2 503 . 44 ARG HB3 H 1.763 . 2 504 . 44 ARG CG C 26.320 . 1 505 . 44 ARG HG2 H 1.570 . 1 506 . 44 ARG HG3 H 1.570 . 1 507 . 44 ARG CD C 42.290 . 1 508 . 44 ARG HD2 H 3.290 . 2 509 . 44 ARG HD3 H 3.191 . 2 510 . 44 ARG NE N 109.016 . 1 511 . 44 ARG HE H 8.954 . 1 512 . 44 ARG C C 175.425 . 1 513 . 45 HIS N N 120.580 . 1 514 . 45 HIS H H 9.001 . 1 515 . 45 HIS CA C 56.130 . 1 516 . 45 HIS HA H 4.850 . 1 517 . 45 HIS CB C 30.430 . 1 518 . 45 HIS HB2 H 3.190 . 2 519 . 45 HIS HB3 H 3.340 . 2 520 . 45 HIS C C 173.892 . 1 521 . 46 ASP N N 113.890 . 1 522 . 46 ASP H H 9.145 . 1 523 . 46 ASP CA C 54.700 . 1 524 . 46 ASP HA H 4.684 . 1 525 . 46 ASP CB C 40.690 . 1 526 . 46 ASP HB2 H 2.920 . 2 527 . 46 ASP HB3 H 2.420 . 2 528 . 46 ASP C C 174.397 . 1 529 . 47 ILE N N 110.000 . 1 530 . 47 ILE H H 6.808 . 1 531 . 47 ILE CA C 58.000 . 1 532 . 47 ILE HA H 5.304 . 1 533 . 47 ILE CB C 41.770 . 1 534 . 47 ILE HB H 1.736 . 1 535 . 47 ILE CG1 C 25.000 . 2 536 . 47 ILE HG13 H 1.230 . 1 537 . 47 ILE HG12 H 0.862 . 1 538 . 47 ILE CD1 C 13.990 . 1 539 . 47 ILE HD1 H 0.916 . 1 540 . 47 ILE CG2 C 18.900 . 1 541 . 47 ILE HG2 H 0.830 . 1 542 . 48 ALA N N 118.918 . 1 543 . 48 ALA H H 8.054 . 1 544 . 48 ALA CA C 52.180 . 1 545 . 48 ALA HA H 4.432 . 1 546 . 48 ALA CB C 23.170 . 1 547 . 48 ALA HB H 1.175 . 1 548 . 48 ALA C C 173.648 . 1 549 . 49 PHE N N 116.020 . 1 550 . 49 PHE H H 8.829 . 1 551 . 49 PHE CA C 56.670 . 1 552 . 49 PHE HA H 5.854 . 1 553 . 49 PHE CB C 42.600 . 1 554 . 49 PHE HB2 H 2.965 . 2 555 . 49 PHE HB3 H 2.864 . 2 556 . 49 PHE HD1 H 7.150 . 3 557 . 49 PHE HE1 H 7.032 . 3 558 . 49 PHE C C 175.773 . 1 559 . 50 VAL N N 119.640 . 1 560 . 50 VAL H H 8.886 . 1 561 . 50 VAL CA C 61.280 . 1 562 . 50 VAL HA H 4.727 . 1 563 . 50 VAL CB C 35.100 . 1 564 . 50 VAL HB H 1.586 . 1 565 . 50 VAL CG2 C 22.580 . 1 566 . 50 VAL HG2 H 0.583 . 2 567 . 50 VAL CG1 C 21.300 . 1 568 . 50 VAL HG1 H 0.286 . 2 569 . 50 VAL C C 173.352 . 1 570 . 51 GLU N N 128.350 . 1 571 . 51 GLU H H 8.934 . 1 572 . 51 GLU CA C 55.500 . 1 573 . 51 GLU HA H 5.101 . 1 574 . 51 GLU CB C 32.700 . 1 575 . 51 GLU HB2 H 1.780 . 1 576 . 51 GLU HB3 H 1.780 . 1 577 . 51 GLU CG C 31.870 . 1 578 . 51 GLU HG2 H 2.222 . 2 579 . 51 GLU HG3 H 2.060 . 2 580 . 51 GLU C C 174.118 . 1 581 . 52 PHE N N 126.030 . 1 582 . 52 PHE H H 8.652 . 1 583 . 52 PHE CA C 57.030 . 1 584 . 52 PHE HA H 5.067 . 1 585 . 52 PHE CB C 44.100 . 1 586 . 52 PHE HB2 H 3.326 . 1 587 . 52 PHE HB3 H 3.326 . 1 588 . 52 PHE HD1 H 7.333 . 3 589 . 52 PHE C C 176.104 . 1 590 . 53 THR N N 115.510 . 1 591 . 53 THR H H 8.870 . 1 592 . 53 THR CA C 67.000 . 1 593 . 53 THR HA H 4.123 . 1 594 . 53 THR CB C 68.800 . 1 595 . 53 THR HB H 4.860 . 1 596 . 53 THR CG2 C 22.500 . 1 597 . 53 THR HG2 H 1.350 . 1 598 . 53 THR HG1 H 5.020 . 1 599 . 53 THR C C 175.268 . 1 600 . 54 THR N N 108.280 . 1 601 . 54 THR H H 7.956 . 1 602 . 54 THR CA C 59.250 . 1 603 . 54 THR HA H 5.010 . 1 604 . 54 THR CB C 73.500 . 1 605 . 54 THR HB H 4.686 . 1 606 . 54 THR CG2 C 21.220 . 1 607 . 54 THR HG2 H 1.233 . 1 608 . 54 THR HG1 H 5.704 . 1 609 . 54 THR C C 174.780 . 1 610 . 55 GLU N N 121.630 . 1 611 . 55 GLU H H 9.643 . 1 612 . 55 GLU CA C 58.220 . 1 613 . 55 GLU HA H 4.227 . 1 614 . 55 GLU CB C 28.600 . 1 615 . 55 GLU HB2 H 1.750 . 1 616 . 55 GLU HB3 H 1.750 . 1 617 . 55 GLU CG C 36.200 . 1 618 . 55 GLU HG2 H 2.114 . 2 619 . 55 GLU HG3 H 2.052 . 2 620 . 55 GLU C C 177.847 . 1 621 . 56 LEU N N 121.900 . 1 622 . 56 LEU H H 7.755 . 1 623 . 56 LEU CA C 57.860 . 1 624 . 56 LEU HA H 4.200 . 1 625 . 56 LEU CB C 41.700 . 1 626 . 56 LEU HB2 H 1.726 . 2 627 . 56 LEU HB3 H 1.596 . 2 628 . 56 LEU CG C 27.500 . 1 629 . 56 LEU HG H 1.748 . 1 630 . 56 LEU CD1 C 25.060 . 1 631 . 56 LEU HD1 H 0.970 . 2 632 . 56 LEU CD2 C 23.730 . 1 633 . 56 LEU HD2 H 0.905 . 2 634 . 56 LEU C C 180.722 . 1 635 . 57 GLN N N 120.090 . 1 636 . 57 GLN H H 7.553 . 1 637 . 57 GLN CA C 58.080 . 1 638 . 57 GLN HA H 4.090 . 1 639 . 57 GLN CB C 28.200 . 1 640 . 57 GLN HB2 H 2.440 . 2 641 . 57 GLN HB3 H 2.603 . 2 642 . 57 GLN CG C 34.410 . 1 643 . 57 GLN HG2 H 2.380 . 1 644 . 57 GLN HG3 H 2.380 . 1 645 . 57 GLN NE2 N 109.364 . 1 646 . 57 GLN HE21 H 7.352 . 2 647 . 57 GLN HE22 H 6.955 . 2 648 . 57 GLN C C 179.641 . 1 649 . 58 SER N N 117.560 . 1 650 . 58 SER H H 8.266 . 1 651 . 58 SER CA C 60.400 . 1 652 . 58 SER HA H 3.140 . 1 653 . 58 SER CB C 61.580 . 1 654 . 58 SER HB2 H 4.158 . 2 655 . 58 SER HB3 H 3.925 . 2 656 . 58 SER HG H 5.067 . 1 657 . 58 SER C C 177.307 . 1 658 . 59 ASN N N 121.830 . 1 659 . 59 ASN H H 8.099 . 1 660 . 59 ASN CA C 57.800 . 1 661 . 59 ASN HA H 4.400 . 1 662 . 59 ASN CB C 40.020 . 1 663 . 59 ASN HB2 H 2.950 . 1 664 . 59 ASN HB3 H 2.950 . 1 665 . 59 ASN ND2 N 115.822 . 1 666 . 59 ASN HD21 H 7.778 . 2 667 . 59 ASN HD22 H 7.084 . 2 668 . 59 ASN C C 176.192 . 1 669 . 60 ALA N N 119.910 . 1 670 . 60 ALA H H 7.381 . 1 671 . 60 ALA CA C 55.080 . 1 672 . 60 ALA HA H 4.046 . 1 673 . 60 ALA CB C 18.200 . 1 674 . 60 ALA HB H 1.515 . 1 675 . 60 ALA C C 180.490 . 1 676 . 61 ALA N N 120.760 . 1 677 . 61 ALA H H 6.855 . 1 678 . 61 ALA CA C 54.620 . 1 679 . 61 ALA HA H 2.760 . 1 680 . 61 ALA CB C 19.280 . 1 681 . 61 ALA HB H 0.845 . 1 682 . 62 LYS N N 118.918 . 1 683 . 62 LYS H H 8.050 . 1 684 . 62 LYS CA C 59.290 . 1 685 . 62 LYS HA H 3.634 . 1 686 . 62 LYS CB C 32.250 . 1 687 . 62 LYS HB2 H 1.950 . 2 688 . 62 LYS HB3 H 1.435 . 2 689 . 62 LYS CG C 23.400 . 1 690 . 62 LYS HG2 H 1.120 . 1 691 . 62 LYS HG3 H 1.120 . 1 692 . 62 LYS CD C 29.820 . 1 693 . 62 LYS HD2 H 0.860 . 2 694 . 62 LYS HD3 H 0.720 . 2 695 . 62 LYS CE C 41.200 . 1 696 . 62 LYS HE2 H 2.493 . 2 697 . 62 LYS HE3 H 2.356 . 2 698 . 62 LYS C C 177.028 . 1 699 . 63 GLU N N 114.900 . 1 700 . 63 GLU H H 8.122 . 1 701 . 63 GLU CA C 58.560 . 1 702 . 63 GLU HA H 3.940 . 1 703 . 63 GLU CB C 29.700 . 1 704 . 63 GLU HB2 H 1.935 . 2 705 . 63 GLU HB3 H 2.020 . 2 706 . 63 GLU CG C 36.700 . 1 707 . 63 GLU HG2 H 2.400 . 2 708 . 63 GLU HG3 H 2.280 . 2 709 . 63 GLU C C 180.286 . 1 710 . 64 ALA N N 119.400 . 1 711 . 64 ALA H H 7.338 . 1 712 . 64 ALA CA C 54.500 . 1 713 . 64 ALA HA H 4.227 . 1 714 . 64 ALA CB C 20.480 . 1 715 . 64 ALA HB H 1.495 . 1 716 . 64 ALA C C 180.286 . 1 717 . 65 LEU N N 115.430 . 1 718 . 65 LEU H H 7.799 . 1 719 . 65 LEU CA C 54.300 . 1 720 . 65 LEU HA H 4.460 . 1 721 . 65 LEU CB C 42.400 . 1 722 . 65 LEU HB2 H 1.330 . 1 723 . 65 LEU HB3 H 1.330 . 1 724 . 65 LEU CG C 26.600 . 1 725 . 65 LEU HG H 1.210 . 1 726 . 65 LEU CD1 C 26.300 . 1 727 . 65 LEU HD1 H 30.176 . 2 728 . 65 LEU CD2 C 22.700 . 1 729 . 65 LEU HD2 H 0.336 . 2 730 . 65 LEU C C 176.052 . 1 731 . 66 GLN N N 122.170 . 1 732 . 66 GLN H H 7.331 . 1 733 . 66 GLN CA C 57.990 . 1 734 . 66 GLN HA H 3.910 . 1 735 . 66 GLN CB C 29.800 . 1 736 . 66 GLN HB2 H 2.530 . 2 737 . 66 GLN HB3 H 2.107 . 2 738 . 66 GLN CG C 34.150 . 1 739 . 66 GLN HG2 H 1.970 . 2 740 . 66 GLN HG3 H 2.612 . 2 741 . 66 GLN NE2 N 112.384 . 1 742 . 66 GLN HE21 H 8.173 . 2 743 . 66 GLN HE22 H 7.869 . 2 744 . 66 GLN C C 178.178 . 1 745 . 67 GLY N N 119.390 . 1 746 . 67 GLY H H 8.478 . 1 747 . 67 GLY CA C 46.340 . 1 748 . 67 GLY HA2 H 4.139 . 2 749 . 67 GLY HA3 H 3.780 . 2 750 . 67 GLY C C 177.028 . 1 751 . 68 PHE N N 122.490 . 1 752 . 68 PHE H H 8.360 . 1 753 . 68 PHE CA C 60.000 . 1 754 . 68 PHE HA H 4.013 . 1 755 . 68 PHE CB C 40.400 . 1 756 . 68 PHE HB2 H 3.370 . 2 757 . 68 PHE HB3 H 2.865 . 2 758 . 68 PHE HD1 H 7.050 . 3 759 . 68 PHE HE1 H 7.180 . 3 760 . 68 PHE HZ H 7.091 . 1 761 . 68 PHE C C 176.488 . 1 762 . 69 LYS N N 129.300 . 1 763 . 69 LYS H H 7.864 . 1 764 . 69 LYS CA C 55.050 . 1 765 . 69 LYS HA H 4.615 . 1 766 . 69 LYS CB C 29.200 . 1 767 . 69 LYS HB2 H 1.520 . 2 768 . 69 LYS HB3 H 1.350 . 2 769 . 69 LYS CG C 24.600 . 1 770 . 69 LYS HG2 H 1.160 . 2 771 . 69 LYS HG3 H 1.500 . 2 772 . 69 LYS CD C 29.000 . 1 773 . 69 LYS HD2 H 1.610 . 2 774 . 69 LYS HD3 H 1.530 . 2 775 . 69 LYS CE C 41.800 . 1 776 . 69 LYS HE2 H 2.900 . 2 777 . 69 LYS HE3 H 2.959 . 2 778 . 69 LYS C C 175.164 . 1 779 . 70 ILE N N 130.590 . 1 780 . 70 ILE H H 8.103 . 1 781 . 70 ILE CA C 64.230 . 1 782 . 70 ILE HA H 3.931 . 1 783 . 70 ILE CB C 38.940 . 1 784 . 70 ILE HB H 1.850 . 1 785 . 70 ILE CG1 C 29.310 . 2 786 . 70 ILE HG13 H 1.894 . 1 787 . 70 ILE HG12 H 1.354 . 1 788 . 70 ILE CD1 C 13.890 . 1 789 . 70 ILE HD1 H 1.013 . 1 790 . 70 ILE CG2 C 17.660 . 1 791 . 70 ILE HG2 H 1.090 . 1 792 . 70 ILE C C 176.453 . 1 793 . 71 THR N N 109.040 . 1 794 . 71 THR H H 7.796 . 1 795 . 71 THR CA C 59.300 . 1 796 . 71 THR HA H 4.640 . 1 797 . 71 THR CB C 69.040 . 1 798 . 71 THR HB H 4.643 . 1 799 . 71 THR CG2 C 21.720 . 1 800 . 71 THR HG2 H 1.227 . 1 801 . 72 PRO CA C 65.500 . 1 802 . 72 PRO HA H 4.202 . 1 803 . 72 PRO CB C 32.600 . 1 804 . 72 PRO HB2 H 2.450 . 2 805 . 72 PRO HB3 H 1.885 . 2 806 . 72 PRO CG C 28.100 . 1 807 . 72 PRO HG2 H 1.900 . 1 808 . 72 PRO HG3 H 1.900 . 1 809 . 72 PRO CD C 50.440 . 1 810 . 72 PRO HD2 H 3.860 . 2 811 . 72 PRO HD3 H 3.812 . 2 812 . 72 PRO C C 117.718 . 1 813 . 73 THR N N 126.650 . 1 814 . 73 THR H H 7.516 . 1 815 . 73 THR CA C 61.100 . 1 816 . 73 THR HA H 4.294 . 1 817 . 73 THR CB C 69.900 . 1 818 . 73 THR HB H 4.315 . 1 819 . 73 THR CG2 C 21.800 . 1 820 . 73 THR HG2 H 1.127 . 1 821 . 73 THR C C 174.763 . 1 822 . 74 HIS N N 125.110 . 1 823 . 74 HIS H H 7.740 . 1 824 . 74 HIS CA C 57.780 . 1 825 . 74 HIS HA H 4.502 . 1 826 . 74 HIS CB C 30.930 . 1 827 . 74 HIS HB2 H 3.145 . 2 828 . 74 HIS HB3 H 2.920 . 2 829 . 74 HIS HD2 H 7.510 . 3 830 . 74 HIS C C 172.234 . 1 831 . 75 ALA N N 127.480 . 1 832 . 75 ALA H H 8.218 . 1 833 . 75 ALA CA C 50.300 . 1 834 . 75 ALA HA H 4.660 . 1 835 . 75 ALA CB C 19.200 . 1 836 . 75 ALA HB H 1.180 . 1 837 . 75 ALA C C 177.411 . 1 838 . 76 MET N N 127.860 . 1 839 . 76 MET H H 9.046 . 1 840 . 76 MET CA C 57.700 . 1 841 . 76 MET HA H 4.260 . 1 842 . 76 MET CB C 35.240 . 1 843 . 76 MET HB2 H 2.318 . 2 844 . 76 MET HB3 H 2.196 . 2 845 . 76 MET CG C 30.800 . 1 846 . 76 MET HG2 H 2.595 . 2 847 . 76 MET HG3 H 2.540 . 2 848 . 76 MET HE H 2.100 . 1 849 . 76 MET C C 174.258 . 1 850 . 77 LYS N N 126.900 . 1 851 . 77 LYS H H 8.111 . 1 852 . 77 LYS CA C 54.920 . 1 853 . 77 LYS HA H 4.894 . 1 854 . 77 LYS CB C 32.860 . 1 855 . 77 LYS HB2 H 1.888 . 2 856 . 77 LYS HB3 H 1.679 . 2 857 . 77 LYS CG C 25.120 . 1 858 . 77 LYS HG2 H 1.326 . 1 859 . 77 LYS HG3 H 1.326 . 1 860 . 77 LYS CD C 29.200 . 1 861 . 77 LYS HD2 H 1.608 . 1 862 . 77 LYS HD3 H 1.608 . 1 863 . 77 LYS CE C 42.340 . 1 864 . 77 LYS HE2 H 1.650 . 2 865 . 77 LYS HE3 H 1.879 . 2 866 . 77 LYS C C 175.529 . 1 867 . 78 ILE N N 125.670 . 1 868 . 78 ILE H H 9.399 . 1 869 . 78 ILE CA C 60.990 . 1 870 . 78 ILE HA H 4.912 . 1 871 . 78 ILE CB C 40.680 . 1 872 . 78 ILE HB H 1.618 . 1 873 . 78 ILE CG1 C 27.120 . 2 874 . 78 ILE HG13 H 1.648 . 1 875 . 78 ILE HG12 H 1.011 . 1 876 . 78 ILE CD1 C 14.740 . 1 877 . 78 ILE HD1 H 0.900 . 1 878 . 78 ILE CG2 C 19.890 . 1 879 . 78 ILE HG2 H 0.760 . 1 880 . 78 ILE C C 176.279 . 1 881 . 79 THR N N 121.290 . 1 882 . 79 THR H H 9.128 . 1 883 . 79 THR CA C 59.620 . 1 884 . 79 THR HA H 4.501 . 1 885 . 79 THR CB C 72.510 . 1 886 . 79 THR HB H 4.439 . 1 887 . 79 THR CG2 C 22.370 . 1 888 . 79 THR HG2 H 1.298 . 1 889 . 79 THR C C 174.240 . 1 890 . 80 PHE N N 121.090 . 1 891 . 80 PHE H H 8.850 . 1 892 . 80 PHE CA C 59.000 . 1 893 . 80 PHE HA H 5.000 . 1 894 . 80 PHE CB C 40.030 . 1 895 . 80 PHE HB2 H 3.173 . 2 896 . 80 PHE HB3 H 2.795 . 2 897 . 80 PHE HD1 H 7.520 . 3 898 . 80 PHE C C 176.401 . 1 899 . 81 ALA N N 125.500 . 1 900 . 81 ALA H H 8.868 . 1 901 . 81 ALA CA C 52.240 . 1 902 . 81 ALA HA H 4.305 . 1 903 . 81 ALA CB C 18.980 . 1 904 . 81 ALA HB H 1.423 . 1 905 . 81 ALA C C 177.690 . 1 906 . 82 LYS N N 123.630 . 1 907 . 82 LYS H H 8.659 . 1 908 . 82 LYS CA C 56.900 . 1 909 . 82 LYS HA H 4.140 . 1 910 . 82 LYS CB C 33.300 . 1 911 . 82 LYS HB2 H 1.690 . 1 912 . 82 LYS HB3 H 1.690 . 1 913 . 82 LYS CG C 25.350 . 1 914 . 82 LYS HG2 H 1.330 . 2 915 . 82 LYS HG3 H 1.440 . 2 916 . 82 LYS CD C 29.340 . 1 917 . 82 LYS HD2 H 1.643 . 1 918 . 82 LYS HD3 H 1.643 . 1 919 . 82 LYS CE C 42.330 . 1 920 . 82 LYS HE2 H 2.960 . 1 921 . 82 LYS HE3 H 2.960 . 1 922 . 82 LYS C C 176.732 . 1 923 . 83 LYS N N 126.100 . 1 924 . 83 LYS H H 8.592 . 1 925 . 83 LYS CA C 56.890 . 1 926 . 83 LYS HA H 4.160 . 1 927 . 83 LYS CB C 33.070 . 1 928 . 83 LYS HB2 H 1.740 . 1 929 . 83 LYS HB3 H 1.740 . 1 930 . 83 LYS CG C 24.940 . 1 931 . 83 LYS HG2 H 1.440 . 1 932 . 83 LYS HG3 H 1.440 . 1 933 . 83 LYS CD C 29.600 . 1 934 . 83 LYS HD2 H 1.640 . 1 935 . 83 LYS HD3 H 1.640 . 1 936 . 83 LYS CE C 42.200 . 1 937 . 83 LYS HE2 H 2.970 . 1 938 . 83 LYS HE3 H 2.970 . 1 stop_ save_