data_27110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shifts of HIV-1 gp41 cytoplasmic tail residues 707-751 ; _BMRB_accession_number 27110 _BMRB_flat_file_name bmr27110.str _Entry_type original _Submission_date 2017-05-22 _Accession_date 2017-05-22 _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 Murphy 'R. Elliot' . . 2 Vlach Jiri . . 3 Samal Alexandra . . 4 Saad Jamil . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 179 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-02 original BMRB . stop_ _Original_release_date 2017-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Membrane Interaction of the Cytoplasmic Tail of HIV-1 gp41 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29056482 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murphy 'R Elliot' E. . 2 Samal Alexandra B. . 3 Vlach Jiri . . 4 Saad Jamil S. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 0969-2126 _Journal_issue 17 _Journal_ISSN 1878-4186 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30301 _Page_last 30305 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name env45 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 gp41CT_N' $hiv1_env45 stop_ _System_molecular_weight 5231.7453 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hiv1_env45 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hiv1_env45 _Molecular_mass 5231.7453 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; SRVRQGYSPLSFQTHLPIPR GPDRPEGIEEEGGERDRDRS IRLVNG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 706 SER 2 707 ARG 3 708 VAL 4 709 ARG 5 710 GLN 6 711 GLY 7 712 TYR 8 713 SER 9 714 PRO 10 715 LEU 11 716 SER 12 717 PHE 13 718 GLN 14 719 THR 15 720 HIS 16 721 LEU 17 722 PRO 18 723 ILE 19 724 PRO 20 725 ARG 21 726 GLY 22 727 PRO 23 728 ASP 24 729 ARG 25 730 PRO 26 731 GLU 27 732 GLY 28 733 ILE 29 734 GLU 30 735 GLU 31 736 GLU 32 737 GLY 33 738 GLY 34 739 GLU 35 740 ARG 36 741 ASP 37 742 ARG 38 743 ASP 39 744 ARG 40 745 SER 41 746 ILE 42 747 ARG 43 748 LEU 44 749 VAL 45 750 ASN 46 751 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProt Q6TAP9 Q6TAP9 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hiv1_env45 HIV-1 11676 Viruses . Lentivirus HIV-1 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 $hiv1_env45 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hiv1_env45 0.5 mM '[[U-95% 13C; U-95% 15N]]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version any loop_ _Vendor _Address _Electronic_address 'F. Delaglio' . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version any loop_ _Vendor _Address _Electronic_address 'F. Delaglio' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spect _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Sample1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Sample1 save_ save_hncoca_(H[N[co[{CA|ca[C]}]]])_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'hncoca (H[N[co[{CA|ca[C]}]]])' _Sample_label $Sample1 save_ save_hncocacb_(H[N[co[{CA|ca[C]}]]])_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'hncocacb (H[N[co[{CA|ca[C]}]]])' _Sample_label $Sample1 save_ save_2D_1H-15N_HSQC/HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $Sample1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Sample1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Sample1 save_ save_hCCH_(H[C_[C]].Jmultibond)_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCH (H[C_[C]].Jmultibond)' _Sample_label $Sample1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Sample1 save_ ####################### # Sample conditions # ####################### save_Cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 6.000 . pH pressure 1.000 . atm temperature 308.000 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D HNCA' '3D HNCACB' 'hncoca (H[N[co[{CA|ca[C]}]]])' 'hncocacb (H[N[co[{CA|ca[C]}]]])' '2D 1H-15N HSQC/HMQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 'hCCH (H[C_[C]].Jmultibond)' '3D HNCO' stop_ loop_ _Sample_label $Sample1 stop_ _Sample_conditions_label $Cond1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'HIV-1 gp41CT_N' _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 1 707 2 ARG HA H 4.432 0.005 1 2 707 2 ARG HG2 H 1.636 . 1 3 707 2 ARG HG3 H 1.636 . 1 4 707 2 ARG C C 176.096 . 1 5 707 2 ARG CA C 56.356 0.037 1 6 707 2 ARG CB C 30.952 0.017 1 7 707 2 ARG CG C 27.166 0.009 1 8 707 2 ARG CD C 43.444 . 1 9 708 3 VAL H H 8.237 0.004 1 10 708 3 VAL HA H 4.087 0.006 1 11 708 3 VAL HB H 2.035 0.007 1 12 708 3 VAL HG1 H 0.943 0.001 2 13 708 3 VAL HG2 H 0.943 0.001 2 14 708 3 VAL C C 175.968 . 1 15 708 3 VAL CA C 62.437 0.015 1 16 708 3 VAL CB C 32.801 0.025 1 17 708 3 VAL CG1 C 21.114 . 2 18 708 3 VAL CG2 C 20.791 . 2 19 708 3 VAL N N 121.914 0.064 1 20 709 4 ARG H H 8.426 0.004 1 21 709 4 ARG HA H 4.351 . 1 22 709 4 ARG HB2 H 1.761 0.003 2 23 709 4 ARG HB3 H 1.844 0.001 2 24 709 4 ARG HG2 H 1.621 0.008 1 25 709 4 ARG HG3 H 1.621 0.008 1 26 709 4 ARG HD2 H 3.152 0.007 2 27 709 4 ARG HD3 H 3.152 0.007 2 28 709 4 ARG C C 175.928 . 1 29 709 4 ARG CA C 56.105 0.042 1 30 709 4 ARG CB C 30.931 0.016 1 31 709 4 ARG CG C 27.202 0.015 1 32 709 4 ARG CD C 43.433 0.026 1 33 709 4 ARG N N 125.442 0.032 1 34 710 5 GLN H H 8.458 0.002 1 35 710 5 GLN HA H 4.330 0.005 1 36 710 5 GLN HB2 H 2.002 . 2 37 710 5 GLN HB3 H 2.093 . 2 38 710 5 GLN HG2 H 2.367 0.007 2 39 710 5 GLN HG3 H 2.378 . 2 40 710 5 GLN HE21 H 7.490 0.003 1 41 710 5 GLN HE22 H 6.848 . 1 42 710 5 GLN C C 176.290 . 1 43 710 5 GLN CA C 56.199 0.033 1 44 710 5 GLN CB C 29.548 0.032 1 45 710 5 GLN CG C 33.804 0.033 1 46 710 5 GLN N N 122.537 0.028 1 47 710 5 GLN NE2 N 112.259 0.024 1 48 711 6 GLY H H 8.463 0.003 1 49 711 6 GLY HA2 H 3.918 0.001 2 50 711 6 GLY HA3 H 3.931 0.01 2 51 711 6 GLY C C 173.511 . 1 52 711 6 GLY CA C 45.241 0.019 1 53 711 6 GLY N N 110.667 0.04 1 54 712 7 TYR H H 8.049 0.003 1 55 712 7 TYR HA H 4.597 0.009 1 56 712 7 TYR HB2 H 2.973 0.006 2 57 712 7 TYR HB3 H 2.973 0.006 2 58 712 7 TYR C C 175.368 . 1 59 712 7 TYR CA C 57.909 0.032 1 60 712 7 TYR CB C 39.208 0.007 1 61 712 7 TYR N N 120.291 0.046 1 62 713 8 SER H H 8.138 0.006 1 63 713 8 SER HA H 4.720 0.01 1 64 713 8 SER HB2 H 3.793 . 2 65 713 8 SER HB3 H 3.784 0.0 2 66 713 8 SER CA C 55.698 0.043 1 67 713 8 SER CB C 63.834 0.011 1 68 713 8 SER N N 119.873 0.045 1 69 714 9 PRO HA H 4.369 0.003 1 70 714 9 PRO HB2 H 2.296 . 2 71 714 9 PRO HB3 H 1.926 . 2 72 714 9 PRO HG2 H 1.995 . 2 73 714 9 PRO HG3 H 1.984 . 2 74 714 9 PRO HD2 H 3.672 . 2 75 714 9 PRO HD3 H 3.599 . 2 76 714 9 PRO C C 176.840 . 1 77 714 9 PRO CA C 63.478 0.015 1 78 714 9 PRO CB C 32.050 0.007 1 79 714 9 PRO CG C 27.272 0.003 1 80 714 9 PRO CD C 50.849 0.009 1 81 715 10 LEU H H 8.105 0.004 1 82 715 10 LEU HA H 4.280 0.004 1 83 715 10 LEU HB2 H 1.606 0.001 2 84 715 10 LEU HB3 H 1.528 0.003 2 85 715 10 LEU HG H 1.607 . 1 86 715 10 LEU HD1 H 0.918 0.0 2 87 715 10 LEU HD2 H 0.862 . 2 88 715 10 LEU C C 177.578 . 1 89 715 10 LEU CA C 55.422 0.033 1 90 715 10 LEU CB C 42.128 0.017 1 91 715 10 LEU CG C 27.121 0.001 1 92 715 10 LEU CD1 C 24.920 0.001 2 93 715 10 LEU CD2 C 23.421 0.014 2 94 715 10 LEU N N 120.656 0.042 1 95 716 11 SER H H 8.024 0.002 1 96 716 11 SER HA H 4.374 0.003 1 97 716 11 SER HB2 H 3.794 0.0 2 98 716 11 SER HB3 H 3.811 0.0 2 99 716 11 SER C C 174.240 . 1 100 716 11 SER CA C 58.557 0.028 1 101 716 11 SER CB C 63.840 0.014 1 102 716 11 SER N N 115.517 0.037 1 103 717 12 PHE H H 8.062 0.005 1 104 717 12 PHE HA H 4.641 0.002 1 105 717 12 PHE HB2 H 3.180 0.0 2 106 717 12 PHE HB3 H 3.051 0.009 2 107 717 12 PHE C C 175.545 . 1 108 717 12 PHE CA C 57.895 0.041 1 109 717 12 PHE CB C 39.407 0.012 1 110 717 12 PHE N N 121.506 0.039 1 111 718 13 GLN H H 8.156 0.004 1 112 718 13 GLN HA H 4.352 0.004 1 113 718 13 GLN HB2 H 2.060 . 2 114 718 13 GLN HB3 H 1.941 . 2 115 718 13 GLN HG2 H 2.275 0.007 2 116 718 13 GLN HG3 H 2.286 . 2 117 718 13 GLN HE21 H 7.472 0.001 1 118 718 13 GLN HE22 H 6.848 . 1 119 718 13 GLN C C 175.786 . 1 120 718 13 GLN CA C 55.968 0.047 1 121 718 13 GLN CB C 29.606 0.038 1 122 718 13 GLN CG C 33.907 0.043 1 123 718 13 GLN N N 121.069 0.024 1 124 718 13 GLN NE2 N 112.252 0.016 1 125 719 14 THR H H 8.053 0.004 1 126 719 14 THR HA H 4.263 0.005 1 127 719 14 THR HB H 4.170 . 1 128 719 14 THR HG2 H 1.171 . 1 129 719 14 THR C C 174.099 . 1 130 719 14 THR CA C 62.095 0.032 1 131 719 14 THR CB C 69.809 0.015 1 132 719 14 THR CG2 C 21.605 0.021 1 133 719 14 THR N N 114.630 0.034 1 134 720 15 HIS H H 8.378 0.003 1 135 720 15 HIS HA H 4.714 0.01 1 136 720 15 HIS HB2 H 3.251 . 2 137 720 15 HIS HB3 H 3.154 . 2 138 720 15 HIS C C 174.146 . 1 139 720 15 HIS CA C 55.423 0.031 1 140 720 15 HIS CB C 29.543 0.043 1 141 720 15 HIS N N 120.606 0.036 1 142 721 16 LEU H H 8.219 0.008 1 143 721 16 LEU HA H 4.599 0.007 1 144 721 16 LEU HB2 H 1.578 . 2 145 721 16 LEU HB3 H 1.532 . 2 146 721 16 LEU HG H 1.587 . 1 147 721 16 LEU HD1 H 0.928 . 2 148 721 16 LEU HD2 H 0.898 0.0 2 149 721 16 LEU CA C 53.107 0.032 1 150 721 16 LEU CB C 41.884 0.013 1 151 721 16 LEU CG C 27.002 0.075 1 152 721 16 LEU CD1 C 25.151 0.003 2 153 721 16 LEU CD2 C 23.316 0.036 2 154 721 16 LEU N N 124.756 0.031 1 155 722 17 PRO HA H 4.447 0.005 1 156 722 17 PRO HB2 H 2.243 0.006 2 157 722 17 PRO HB3 H 1.870 . 2 158 722 17 PRO HG2 H 2.024 . 2 159 722 17 PRO HG3 H 2.015 . 2 160 722 17 PRO HD2 H 3.791 . 2 161 722 17 PRO HD3 H 3.626 . 2 162 722 17 PRO C C 176.445 . 1 163 722 17 PRO CA C 62.945 0.011 1 164 722 17 PRO CB C 31.782 0.02 1 165 722 17 PRO CG C 27.440 0.015 1 166 722 17 PRO CD C 50.575 0.025 1 167 723 18 ILE H H 8.127 0.002 1 168 723 18 ILE HA H 4.432 0.006 1 169 723 18 ILE HB H 1.835 0.005 1 170 723 18 ILE HG12 H 1.542 0.005 2 171 723 18 ILE HG13 H 1.189 0.003 2 172 723 18 ILE HG2 H 0.952 0.003 1 173 723 18 ILE HD1 H 0.866 . 1 174 723 18 ILE CA C 58.690 0.023 1 175 723 18 ILE CB C 38.863 0.011 1 176 723 18 ILE CG1 C 27.089 0.013 1 177 723 18 ILE CG2 C 17.184 0.013 1 178 723 18 ILE CD1 C 12.831 0.006 1 179 723 18 ILE N N 122.653 0.035 1 180 724 19 PRO HA H 4.423 0.002 1 181 724 19 PRO HB2 H 2.287 . 2 182 724 19 PRO HB3 H 1.928 . 2 183 724 19 PRO HG2 H 2.040 . 2 184 724 19 PRO HG3 H 1.982 . 2 185 724 19 PRO HD2 H 3.882 . 2 186 724 19 PRO HD3 H 3.674 . 2 187 724 19 PRO C C 176.633 . 1 188 724 19 PRO CA C 63.262 0.032 1 189 724 19 PRO CB C 32.126 0.034 1 190 724 19 PRO CG C 27.412 0.054 1 191 724 19 PRO CD C 51.109 0.014 1 192 725 20 ARG H H 8.383 0.002 1 193 725 20 ARG HA H 4.377 0.004 1 194 725 20 ARG HB2 H 1.890 0.01 2 195 725 20 ARG HB3 H 1.786 0.008 2 196 725 20 ARG HG2 H 1.708 0.009 1 197 725 20 ARG HG3 H 1.708 0.009 1 198 725 20 ARG HD2 H 3.218 0.007 1 199 725 20 ARG HD3 H 3.218 0.007 1 200 725 20 ARG C C 176.538 . 1 201 725 20 ARG CA C 56.074 0.051 1 202 725 20 ARG CB C 31.177 0.028 1 203 725 20 ARG CG C 27.126 0.013 1 204 725 20 ARG CD C 43.437 0.008 1 205 725 20 ARG N N 121.601 0.039 1 206 726 21 GLY H H 8.286 0.003 1 207 726 21 GLY HA2 H 4.188 0.001 2 208 726 21 GLY HA3 H 4.052 0.007 2 209 726 21 GLY CA C 44.690 . 1 210 726 21 GLY N N 110.468 0.037 1 211 727 22 PRO HA H 4.436 0.002 1 212 727 22 PRO HB2 H 2.270 . 2 213 727 22 PRO HB3 H 1.951 . 2 214 727 22 PRO HG2 H 2.027 . 2 215 727 22 PRO HG3 H 2.021 . 2 216 727 22 PRO HD2 H 3.643 . 2 217 727 22 PRO HD3 H 3.619 . 2 218 727 22 PRO C C 176.760 . 1 219 727 22 PRO CA C 63.345 0.022 1 220 727 22 PRO CB C 32.174 0.031 1 221 727 22 PRO CG C 27.076 0.008 1 222 727 22 PRO CD C 49.849 0.03 1 223 728 23 ASP H H 8.418 0.004 1 224 728 23 ASP HA H 4.566 0.007 1 225 728 23 ASP HB2 H 2.692 0.001 2 226 728 23 ASP HB3 H 2.601 0.004 2 227 728 23 ASP C C 175.747 . 1 228 728 23 ASP CA C 54.581 0.064 1 229 728 23 ASP CB C 40.992 0.009 1 230 728 23 ASP N N 119.889 0.046 1 231 729 24 ARG H H 8.081 0.006 1 232 729 24 ARG HA H 4.656 0.008 1 233 729 24 ARG HB2 H 1.851 0.004 2 234 729 24 ARG HB3 H 1.729 0.008 2 235 729 24 ARG HG2 H 1.642 0.01 1 236 729 24 ARG HG3 H 1.642 0.01 1 237 729 24 ARG HD2 H 3.200 0.005 2 238 729 24 ARG HD3 H 3.195 0.0 2 239 729 24 ARG CA C 53.652 0.052 1 240 729 24 ARG CB C 30.536 0.039 1 241 729 24 ARG CG C 26.751 0.038 1 242 729 24 ARG CD C 43.486 0.019 1 243 729 24 ARG N N 121.387 0.042 1 244 730 25 PRO HA H 4.423 0.002 1 245 730 25 PRO HB2 H 2.289 . 2 246 730 25 PRO HB3 H 1.927 . 2 247 730 25 PRO HG2 H 2.024 . 2 248 730 25 PRO HG3 H 2.019 . 2 249 730 25 PRO HD2 H 3.757 . 2 250 730 25 PRO HD3 H 3.629 . 2 251 730 25 PRO C C 176.883 . 1 252 730 25 PRO CA C 63.311 0.039 1 253 730 25 PRO CB C 32.086 0.019 1 254 730 25 PRO CG C 27.511 0.04 1 255 730 25 PRO CD C 50.670 0.054 1 256 731 26 GLU H H 8.609 0.005 1 257 731 26 GLU HA H 4.269 0.008 1 258 731 26 GLU HB2 H 2.063 0.005 2 259 731 26 GLU HB3 H 1.962 0.008 2 260 731 26 GLU HG2 H 2.307 0.008 2 261 731 26 GLU HG3 H 2.304 0.003 2 262 731 26 GLU C C 177.078 . 1 263 731 26 GLU CA C 56.953 0.027 1 264 731 26 GLU CB C 30.270 0.002 1 265 731 26 GLU CG C 36.250 . 1 266 731 26 GLU N N 120.807 0.048 1 267 732 27 GLY H H 8.408 0.003 1 268 732 27 GLY HA2 H 3.985 0.005 2 269 732 27 GLY HA3 H 3.981 0.006 2 270 732 27 GLY C C 174.004 . 1 271 732 27 GLY CA C 45.477 0.023 1 272 732 27 GLY N N 109.919 0.039 1 273 733 28 ILE H H 7.867 0.002 1 274 733 28 ILE HA H 4.220 0.006 1 275 733 28 ILE HB H 1.883 0.006 1 276 733 28 ILE HG12 H 1.416 0.006 2 277 733 28 ILE HG13 H 1.172 0.003 2 278 733 28 ILE HG2 H 0.897 0.001 1 279 733 28 ILE HD1 H 0.851 . 1 280 733 28 ILE C C 176.213 . 1 281 733 28 ILE CA C 61.097 0.033 1 282 733 28 ILE CB C 38.874 0.045 1 283 733 28 ILE CG1 C 27.272 0.044 1 284 733 28 ILE CG2 C 17.592 0.022 1 285 733 28 ILE CD1 C 13.032 0.026 1 286 733 28 ILE N N 119.429 0.058 1 287 734 29 GLU H H 8.536 0.003 1 288 734 29 GLU HA H 4.306 0.01 1 289 734 29 GLU HB2 H 2.057 0.003 2 290 734 29 GLU HB3 H 1.945 0.001 2 291 734 29 GLU HG2 H 2.289 0.006 2 292 734 29 GLU HG3 H 2.276 0.007 2 293 734 29 GLU C C 176.383 . 1 294 734 29 GLU CA C 56.695 0.023 1 295 734 29 GLU CB C 30.210 0.001 1 296 734 29 GLU CG C 36.233 . 1 297 734 29 GLU N N 124.768 0.028 1 298 735 30 GLU H H 8.409 0.003 1 299 735 30 GLU HA H 4.301 0.006 1 300 735 30 GLU HB2 H 2.062 0.004 2 301 735 30 GLU HB3 H 1.944 0.007 2 302 735 30 GLU HG2 H 2.276 0.002 2 303 735 30 GLU HG3 H 2.271 0.004 2 304 735 30 GLU C C 176.485 . 1 305 735 30 GLU CA C 56.675 0.029 1 306 735 30 GLU CB C 30.512 0.003 1 307 735 30 GLU CG C 36.232 . 1 308 735 30 GLU N N 122.210 0.02 1 309 736 31 GLU H H 8.490 0.006 1 310 736 31 GLU HA H 4.297 0.008 1 311 736 31 GLU HB2 H 2.096 0.001 2 312 736 31 GLU HB3 H 1.988 0.001 2 313 736 31 GLU HG2 H 2.301 . 2 314 736 31 GLU HG3 H 2.286 . 2 315 736 31 GLU C C 177.098 . 1 316 736 31 GLU CA C 56.933 0.02 1 317 736 31 GLU CB C 30.319 0.002 1 318 736 31 GLU CG C 36.233 . 1 319 736 31 GLU N N 122.414 0.019 1 320 737 32 GLY H H 8.534 0.004 1 321 737 32 GLY HA2 H 4.007 0.004 2 322 737 32 GLY HA3 H 3.959 0.013 2 323 737 32 GLY C C 174.833 . 1 324 737 32 GLY CA C 45.565 0.03 1 325 737 32 GLY N N 110.312 0.055 1 326 738 33 GLY H H 8.303 0.002 1 327 738 33 GLY HA2 H 4.028 0.002 2 328 738 33 GLY HA3 H 3.970 0.001 2 329 738 33 GLY C C 174.421 . 1 330 738 33 GLY CA C 45.365 0.033 1 331 738 33 GLY N N 108.814 0.035 1 332 739 34 GLU H H 8.481 0.002 1 333 739 34 GLU HA H 4.257 0.005 1 334 739 34 GLU HB2 H 2.077 . 2 335 739 34 GLU HB3 H 1.981 0.002 2 336 739 34 GLU HG2 H 2.297 . 2 337 739 34 GLU HG3 H 2.281 . 2 338 739 34 GLU C C 176.995 . 1 339 739 34 GLU CA C 57.148 0.02 1 340 739 34 GLU CB C 29.978 0.052 1 341 739 34 GLU CG C 36.242 . 1 342 739 34 GLU N N 120.810 0.035 1 343 740 35 ARG H H 8.359 0.003 1 344 740 35 ARG HA H 4.301 0.007 1 345 740 35 ARG HB2 H 1.804 0.001 2 346 740 35 ARG HB3 H 1.888 0.001 2 347 740 35 ARG HG2 H 1.642 0.011 2 348 740 35 ARG HG3 H 1.659 . 2 349 740 35 ARG HD2 H 3.218 . 2 350 740 35 ARG HD3 H 3.210 0.009 2 351 740 35 ARG C C 176.419 . 1 352 740 35 ARG CA C 56.679 0.019 1 353 740 35 ARG CB C 30.697 0.022 1 354 740 35 ARG CG C 27.190 0.0 1 355 740 35 ARG CD C 43.401 0.014 1 356 740 35 ARG N N 121.205 0.029 1 357 741 36 ASP H H 8.297 0.003 1 358 741 36 ASP HA H 4.591 0.005 1 359 741 36 ASP HB2 H 2.748 . 2 360 741 36 ASP HB3 H 2.645 . 2 361 741 36 ASP C C 176.623 . 1 362 741 36 ASP CA C 54.836 0.012 1 363 741 36 ASP CB C 40.951 0.001 1 364 741 36 ASP N N 120.368 0.043 1 365 742 37 ARG H H 8.121 0.008 1 366 742 37 ARG HA H 4.244 0.008 1 367 742 37 ARG HB2 H 1.843 . 2 368 742 37 ARG HB3 H 1.821 . 2 369 742 37 ARG HG2 H 1.636 . 2 370 742 37 ARG HG3 H 1.624 . 2 371 742 37 ARG HD2 H 3.212 . 2 372 742 37 ARG HD3 H 3.208 . 2 373 742 37 ARG C C 176.265 . 1 374 742 37 ARG CA C 56.903 0.015 1 375 742 37 ARG CB C 30.721 0.042 1 376 742 37 ARG CG C 27.067 . 1 377 742 37 ARG CD C 43.446 . 1 378 742 37 ARG N N 120.879 0.027 1 379 743 38 ASP H H 8.306 0.002 1 380 743 38 ASP HA H 4.595 0.002 1 381 743 38 ASP HB2 H 2.762 0.007 2 382 743 38 ASP HB3 H 2.678 0.011 2 383 743 38 ASP C C 176.602 . 1 384 743 38 ASP CA C 54.825 0.031 1 385 743 38 ASP CB C 40.966 0.01 1 386 743 38 ASP N N 120.368 0.046 1 387 744 39 ARG H H 8.173 0.003 1 388 744 39 ARG HA H 4.308 0.008 1 389 744 39 ARG HB2 H 1.939 0.004 2 390 744 39 ARG HB3 H 1.805 0.006 2 391 744 39 ARG HG2 H 1.675 0.006 2 392 744 39 ARG HG3 H 1.659 0.007 2 393 744 39 ARG HD2 H 3.225 . 2 394 744 39 ARG HD3 H 3.223 . 2 395 744 39 ARG C C 176.661 . 1 396 744 39 ARG CA C 56.654 0.015 1 397 744 39 ARG CB C 30.475 0.029 1 398 744 39 ARG CG C 27.247 . 1 399 744 39 ARG CD C 43.439 . 1 400 744 39 ARG N N 121.535 0.039 1 401 745 40 SER H H 8.331 0.002 1 402 745 40 SER HA H 4.400 0.01 1 403 745 40 SER HB2 H 3.903 0.007 2 404 745 40 SER HB3 H 3.895 0.004 2 405 745 40 SER C C 174.623 . 1 406 745 40 SER CA C 59.193 0.042 1 407 745 40 SER CB C 63.742 0.003 1 408 745 40 SER N N 116.324 0.051 1 409 746 41 ILE H H 7.923 0.004 1 410 746 41 ILE HA H 4.164 0.007 1 411 746 41 ILE HB H 1.887 0.008 1 412 746 41 ILE HG12 H 1.468 0.003 2 413 746 41 ILE HG13 H 1.188 0.0 2 414 746 41 ILE HG2 H 0.894 0.001 1 415 746 41 ILE HD1 H 0.862 . 1 416 746 41 ILE C C 176.058 . 1 417 746 41 ILE CA C 61.415 0.017 1 418 746 41 ILE CB C 38.671 0.013 1 419 746 41 ILE CG1 C 27.381 0.033 1 420 746 41 ILE CG2 C 17.434 0.032 1 421 746 41 ILE CD1 C 12.996 0.006 1 422 746 41 ILE N N 121.928 0.057 1 423 747 42 ARG H H 8.228 0.003 1 424 747 42 ARG HA H 4.347 0.01 1 425 747 42 ARG HB2 H 1.836 0.001 2 426 747 42 ARG HB3 H 1.763 0.001 2 427 747 42 ARG HG2 H 1.587 0.001 2 428 747 42 ARG HG3 H 1.592 0.004 2 429 747 42 ARG HD2 H 3.201 0.006 2 430 747 42 ARG HD3 H 3.201 0.006 2 431 747 42 ARG C C 175.959 . 1 432 747 42 ARG CA C 56.052 0.054 1 433 747 42 ARG CB C 30.884 0.018 1 434 747 42 ARG CG C 27.244 0.021 1 435 747 42 ARG CD C 43.433 0.005 1 436 747 42 ARG N N 124.684 0.033 1 437 748 43 LEU H H 8.248 0.004 1 438 748 43 LEU HA H 4.390 0.007 1 439 748 43 LEU HB2 H 1.590 0.01 2 440 748 43 LEU HB3 H 1.659 0.008 2 441 748 43 LEU HG H 1.600 . 1 442 748 43 LEU HD1 H 0.918 . 2 443 748 43 LEU HD2 H 0.862 . 2 444 748 43 LEU C C 177.215 . 1 445 748 43 LEU CA C 55.186 0.009 1 446 748 43 LEU CB C 42.288 0.022 1 447 748 43 LEU CG C 27.078 0.024 1 448 748 43 LEU CD1 C 24.938 0.006 2 449 748 43 LEU CD2 C 23.513 0.003 2 450 748 43 LEU N N 123.939 0.032 1 451 749 44 VAL H H 8.050 0.002 1 452 749 44 VAL HA H 4.113 0.007 1 453 749 44 VAL HB H 2.095 . 1 454 749 44 VAL HG1 H 0.945 . 2 455 749 44 VAL HG2 H 0.946 . 2 456 749 44 VAL C C 175.853 . 1 457 749 44 VAL CA C 62.485 0.029 1 458 749 44 VAL CB C 32.807 0.008 1 459 749 44 VAL CG1 C 21.144 . 2 460 749 44 VAL CG2 C 20.540 . 2 461 749 44 VAL N N 120.587 0.042 1 462 750 45 ASN H H 8.458 0.002 1 463 750 45 ASN HA H 4.768 0.001 1 464 750 45 ASN HB2 H 2.864 . 2 465 750 45 ASN HB3 H 2.757 . 2 466 750 45 ASN HD21 H 6.858 . 1 467 750 45 ASN HD22 H 7.591 0.003 1 468 750 45 ASN C C 174.434 . 1 469 750 45 ASN CA C 53.351 0.03 1 470 750 45 ASN CB C 39.285 0.038 1 471 750 45 ASN N N 122.146 0.041 1 472 750 45 ASN ND2 N 112.867 0.029 1 473 751 46 GLY H H 7.857 0.006 1 474 751 46 GLY HA2 H 3.794 0.007 2 475 751 46 GLY HA3 H 3.728 0.001 2 476 751 46 GLY CA C 46.357 0.036 1 477 751 46 GLY N N 115.436 0.041 1 stop_ save_