data_7208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Chemical shift assignment for Glycophorine A in bicelles and micelles ; _BMRB_accession_number 7208 _BMRB_flat_file_name bmr7208.str _Entry_type original _Submission_date 2006-07-04 _Accession_date 2006-07-04 _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 Mineev Konstantin S. . 2 Bocharov Eduard V. . 3 Maslennikov Innokenty V. . 4 Goncharuk Marina V. . 5 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 437 "13C chemical shifts" 268 "15N chemical shifts" 71 "coupling constants" 84 "T1 relaxation values" 64 "T2 relaxation values" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-09 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and dynamics of glycophorin A TM segment in micelles and bicelles' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mineev Konstantin S. . 2 Bocharov Eduard V. . 3 Maslennikov Innokenty V. . 4 Goncharuk Marina V. . 5 Arseniev Alexander S. . stop_ _Journal_abbreviation . _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 glycophorin dimer assignment structure 'membrane mimetics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GpATM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dimer of Glycophorin A transmembrane segments A' $GpATM 'dimer of Glycophorin A transmembrane segments B' $GpATM stop_ _System_molecular_weight 4230 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'not available' stop_ _Database_query_date . _Details 'dimer of Glycophorin A transmembrane segments' save_ ######################## # Monomeric polymers # ######################## save_GpATM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GpATM _Molecular_mass 4235 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; RVQLAHHFSEPEITLIIFGV MAGVIGTILLISYGIRRL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 ARG 2 62 VAL 3 63 GLN 4 64 LEU 5 65 ALA 6 66 HIS 7 67 HIS 8 68 PHE 9 69 SER 10 70 GLU 11 71 PRO 12 72 GLU 13 73 ILE 14 74 THR 15 75 LEU 16 76 ILE 17 77 ILE 18 78 PHE 19 79 GLY 20 80 VAL 21 81 MET 22 82 ALA 23 83 GLY 24 84 VAL 25 85 ILE 26 86 GLY 27 87 THR 28 88 ILE 29 89 LEU 30 90 LEU 31 91 ILE 32 92 SER 33 93 TYR 34 94 GLY 35 95 ILE 36 96 ARG 37 97 ARG 38 98 LEU 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 1AFO "Dimeric Transmembrane Domain Of Human Glycophorin A, Nmr, 20 Structures" 97.37 40 100.00 100.00 1.07e-15 PDB 2KPE "Refined Structure Of Glycophorin A Transmembrane Segment Dimer In Dpc Micelles" 76.32 29 100.00 100.00 5.00e-09 PDB 2KPF "Spatial Structure Of The Dimeric Transmembrane Domain Of Glycophorin A In Bicelles Soluton" 100.00 38 100.00 100.00 2.22e-16 DBJ BAF83250 "unnamed protein product [Homo sapiens]" 100.00 150 100.00 100.00 7.69e-17 EMBL CAA30843 "preglycophorin A [Homo sapiens]" 100.00 150 100.00 100.00 7.53e-17 EMBL CAA36095 "unnamed protein product [Homo sapiens]" 100.00 150 100.00 100.00 7.69e-17 EMBL CAC83868 "Glycophorin A [Homo sapiens]" 100.00 132 100.00 100.00 4.15e-17 EMBL CAC83869 "Glycophorin A [Homo sapiens]" 100.00 132 97.37 100.00 2.97e-16 EMBL CAC83870 "Glycophorin A [Homo sapiens]" 100.00 132 100.00 100.00 4.71e-17 GB AAA18258 "glycophorin Erik I-IV [Homo sapiens]" 100.00 85 100.00 100.00 8.16e-17 GB AAA52624 "glycophorin A precursor, partial [Homo sapiens]" 100.00 148 100.00 100.00 1.03e-16 GB AAA52768 "glycophorin A [Homo sapiens]" 100.00 150 100.00 100.00 7.69e-17 GB AAA88044 "glycophorin A precursor [Homo sapiens]" 100.00 150 100.00 100.00 9.29e-17 GB AAA88051 "glycophorin A [Homo sapiens]" 100.00 150 100.00 100.00 7.69e-17 PRF 0412211A "glycophorin AM" 100.00 131 100.00 100.00 4.15e-17 PRF 1311302A "glycophorin alpha" 100.00 131 97.37 97.37 1.05e-16 PRF 1314320A "glycophorin A" 100.00 153 100.00 100.00 8.55e-17 PRF 1605205A "glycophorin A" 100.00 150 100.00 100.00 7.69e-17 REF NP_002090 "glycophorin-A precursor [Homo sapiens]" 100.00 150 100.00 100.00 7.53e-17 SP P02724 "RecName: Full=Glycophorin-A; AltName: Full=MN sialoglycoprotein; AltName: Full=PAS-2; AltName: Full=Sialoglycoprotein alpha; Al" 100.00 150 100.00 100.00 7.85e-17 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Cell_type _Organelle $GpATM Human 9606 Eukaryota Metazoa Homo sapiens blood erythrocyte 'outer membrane' 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 $GpATM 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_bic_hetero _Saveframe_category sample _Sample_type bicelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 1.0 mM '[U-15N; U-13C]' DMPC 16.0 mM [U-2H] $GpATM 1.0 mM . DHPC 64.0 mM [U-2H] stop_ save_ save_mic_N15 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 2.0 mM [U-15N] Dodecylphosphocholine 60.0 mM [U-2H] stop_ save_ save_mic_N1513C _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 2.0 mM '[U-15N; U-13C]' Dodecylphosphocholine 60.0 mM [U-2H] stop_ save_ save_bic_15N13C _Saveframe_category sample _Sample_type bicelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 2.0 mM '[U-15N; U-13C]' DMPC 16.0 mM [U-2H] DHPC 64.0 mM [U-2H] stop_ save_ save_bic_15N _Saveframe_category sample _Sample_type bicelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 2.0 mM [U-15N] DMPC 16.0 mM [U-2H] DHPC 64.0 mM [U-2H] stop_ save_ save_mic_hetero _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GpATM 1.0 mM '[U-15N; U-13C]' Dodecylphosphocholine 60.0 mM [2H] $GpATM 1.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details 'Unity Varian 600 Mhz' save_ ####################### # Sample conditions # ####################### save_micelles _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 313 1 K stop_ save_ save_bicelles _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 0.1 pH temperature 313 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shifts_mic _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $mic_N1513C stop_ _Sample_conditions_label $micelles _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments 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 61 1 ARG HA H 4.142 0.020 1 2 61 1 ARG HB2 H 1.940 0.020 1 3 61 1 ARG HB3 H 1.940 0.020 1 4 61 1 ARG HG2 H 1.676 0.020 1 5 61 1 ARG HG3 H 1.676 0.020 1 6 61 1 ARG HD2 H 3.238 0.020 1 7 61 1 ARG HD3 H 3.238 0.020 1 8 61 1 ARG CA C 55.651 0.400 1 9 61 1 ARG CB C 31.391 0.400 1 10 61 1 ARG CG C 26.506 0.400 1 11 61 1 ARG CD C 43.475 0.400 1 12 62 2 VAL HA H 4.118 0.020 1 13 62 2 VAL HB H 2.094 0.020 1 14 62 2 VAL HG1 H 0.923 0.020 2 15 62 2 VAL HG2 H 0.923 0.020 2 16 62 2 VAL CA C 62.856 0.400 1 17 62 2 VAL CB C 32.771 0.400 1 18 62 2 VAL CG1 C 21.319 0.400 1 19 63 3 GLN H H 8.514 0.020 1 20 63 3 GLN HA H 4.431 0.020 1 21 63 3 GLN HB2 H 1.997 0.020 1 22 63 3 GLN HB3 H 1.997 0.020 1 23 63 3 GLN HG2 H 2.055 0.020 2 24 63 3 GLN HG3 H 1.904 0.020 2 25 63 3 GLN CA C 55.722 0.400 1 26 63 3 GLN CB C 30.021 0.400 1 27 63 3 GLN N N 121.254 0.400 1 28 64 4 LEU H H 8.420 0.020 1 29 64 4 LEU HA H 4.319 0.020 1 30 64 4 LEU HB2 H 1.623 0.020 1 31 64 4 LEU HB3 H 1.623 0.020 1 32 64 4 LEU HG H 1.532 0.020 1 33 64 4 LEU HD1 H 0.918 0.020 2 34 64 4 LEU HD2 H 0.918 0.020 2 35 64 4 LEU CA C 55.690 0.400 1 36 64 4 LEU CB C 43.240 0.400 1 37 64 4 LEU CD1 C 24.481 0.400 1 38 64 4 LEU N N 119.985 0.400 1 39 65 5 ALA H H 8.377 0.020 1 40 65 5 ALA HA H 4.192 0.020 1 41 65 5 ALA HB H 1.313 0.020 1 42 65 5 ALA CA C 53.043 0.400 1 43 65 5 ALA CB C 19.179 0.400 1 44 65 5 ALA N N 119.387 0.400 1 45 66 6 HIS H H 7.830 0.020 1 46 66 6 HIS HA H 4.398 0.020 1 47 66 6 HIS HB2 H 2.918 0.020 2 48 66 6 HIS HB3 H 2.812 0.020 2 49 66 6 HIS HD2 H 6.988 0.020 1 50 66 6 HIS CA C 56.260 0.400 1 51 66 6 HIS CB C 30.005 0.400 1 52 66 6 HIS N N 112.448 0.400 1 53 67 7 HIS H H 8.007 0.020 1 54 67 7 HIS HA H 4.539 0.020 1 55 67 7 HIS HB2 H 3.012 0.020 2 56 67 7 HIS HB3 H 2.845 0.020 2 57 67 7 HIS HD1 H 7.059 0.020 1 58 67 7 HIS CA C 55.659 0.400 1 59 67 7 HIS CB C 29.825 0.400 1 60 67 7 HIS N N 116.260 0.400 1 61 68 8 PHE H H 8.396 0.020 1 62 68 8 PHE HA H 4.685 0.020 1 63 68 8 PHE HB2 H 2.853 0.020 2 64 68 8 PHE HB3 H 3.126 0.020 2 65 68 8 PHE HD1 H 7.337 0.020 1 66 68 8 PHE HD2 H 7.337 0.020 1 67 68 8 PHE HE1 H 7.201 0.020 1 68 68 8 PHE HE2 H 7.201 0.020 1 69 68 8 PHE HZ H 7.041 0.020 1 70 68 8 PHE CA C 58.338 0.400 1 71 68 8 PHE CB C 40.673 0.400 1 72 68 8 PHE N N 117.618 0.400 1 73 69 9 SER H H 8.721 0.020 1 74 69 9 SER HA H 4.671 0.020 1 75 69 9 SER HB2 H 4.178 0.020 1 76 69 9 SER HB3 H 4.001 0.020 1 77 69 9 SER CA C 57.317 0.400 1 78 69 9 SER CB C 65.553 0.400 1 79 69 9 SER N N 113.918 0.400 1 80 71 11 PRO HA H 4.305 0.020 1 81 71 11 PRO HB2 H 2.380 0.020 1 82 71 11 PRO HB3 H 1.866 0.020 1 83 71 11 PRO HG2 H 2.031 0.020 1 84 71 11 PRO HG3 H 2.187 0.020 1 85 71 11 PRO HD2 H 3.983 0.020 1 86 71 11 PRO HD3 H 3.851 0.020 1 87 71 11 PRO CA C 66.738 0.400 1 88 71 11 PRO CB C 31.573 0.400 1 89 71 11 PRO CG C 28.467 0.400 1 90 71 11 PRO CD C 50.527 0.400 1 91 72 12 GLU HA H 3.912 0.020 1 92 72 12 GLU HB2 H 2.334 0.020 2 93 72 12 GLU HB3 H 2.395 0.020 2 94 72 12 GLU HG2 H 1.989 0.020 1 95 72 12 GLU HG3 H 1.989 0.020 1 96 72 12 GLU CA C 60.190 0.400 1 97 72 12 GLU CB C 37.319 0.400 1 98 73 13 ILE H H 8.122 0.020 1 99 73 13 ILE HA H 3.560 0.020 1 100 73 13 ILE HB H 1.943 0.020 1 101 73 13 ILE HG12 H 1.663 0.020 2 102 73 13 ILE HG13 H 1.063 0.020 2 103 73 13 ILE HG2 H 0.887 0.020 1 104 73 13 ILE HD1 H 0.762 0.020 1 105 73 13 ILE CA C 64.686 0.400 1 106 73 13 ILE CB C 37.997 0.400 1 107 73 13 ILE CG1 C 29.339 0.400 1 108 73 13 ILE CG2 C 17.891 0.400 1 109 73 13 ILE CD1 C 13.814 0.400 1 110 73 13 ILE N N 113.893 0.400 1 111 74 14 THR H H 8.022 0.020 1 112 74 14 THR HA H 3.623 0.020 1 113 74 14 THR HB H 4.237 0.020 1 114 74 14 THR HG1 H 4.591 0.020 1 115 74 14 THR HG2 H 1.098 0.020 1 116 74 14 THR CA C 68.129 0.400 1 117 74 14 THR CB C 68.447 0.400 1 118 74 14 THR CG2 C 21.916 0.400 1 119 74 14 THR N N 111.801 0.400 1 120 75 15 LEU H H 7.402 0.020 1 121 75 15 LEU HA H 3.970 0.020 1 122 75 15 LEU HB2 H 2.097 0.020 1 123 75 15 LEU HB3 H 1.930 0.020 1 124 75 15 LEU HG H 1.404 0.020 1 125 75 15 LEU HD1 H 1.053 0.020 1 126 75 15 LEU HD2 H 0.817 0.020 1 127 75 15 LEU CA C 59.008 0.400 1 128 75 15 LEU CB C 42.197 0.400 1 129 75 15 LEU CG C 41.997 0.400 1 130 75 15 LEU CD1 C 26.493 0.400 1 131 75 15 LEU CD2 C 23.457 0.400 1 132 75 15 LEU N N 115.824 0.400 1 133 76 16 ILE H H 7.612 0.020 1 134 76 16 ILE HA H 3.693 0.020 1 135 76 16 ILE HB H 1.940 0.020 1 136 76 16 ILE HG12 H 1.039 0.020 1 137 76 16 ILE HG13 H 1.039 0.020 1 138 76 16 ILE HG2 H 0.797 0.020 1 139 76 16 ILE HD1 H 0.563 0.020 1 140 76 16 ILE CA C 66.122 0.400 1 141 76 16 ILE CB C 38.432 0.400 1 142 76 16 ILE CG1 C 29.442 0.400 1 143 76 16 ILE CG2 C 17.221 0.400 1 144 76 16 ILE CD1 C 13.521 0.400 1 145 76 16 ILE N N 113.769 0.400 1 146 77 17 ILE H H 8.387 0.020 1 147 77 17 ILE HA H 3.516 0.020 1 148 77 17 ILE HB H 1.962 0.020 1 149 77 17 ILE HG12 H 1.735 0.020 1 150 77 17 ILE HG13 H 1.080 0.020 1 151 77 17 ILE HG2 H 0.866 0.020 1 152 77 17 ILE HD1 H 0.778 0.020 1 153 77 17 ILE CA C 65.867 0.400 1 154 77 17 ILE CB C 36.996 0.400 1 155 77 17 ILE CG1 C 29.441 0.400 1 156 77 17 ILE CG2 C 17.395 0.400 1 157 77 17 ILE CD1 C 12.729 0.400 1 158 77 17 ILE N N 115.027 0.400 1 159 78 18 PHE H H 8.447 0.020 1 160 78 18 PHE HA H 4.235 0.020 1 161 78 18 PHE HB2 H 3.168 0.020 1 162 78 18 PHE HB3 H 3.168 0.020 1 163 78 18 PHE HD1 H 7.148 0.020 1 164 78 18 PHE HD2 H 7.148 0.020 1 165 78 18 PHE HE1 H 7.093 0.020 1 166 78 18 PHE HE2 H 7.093 0.020 1 167 78 18 PHE HZ H 7.248 0.020 1 168 78 18 PHE CA C 61.656 0.400 1 169 78 18 PHE CB C 38.807 0.400 1 170 78 18 PHE N N 116.135 0.400 1 171 79 19 GLY H H 8.237 0.020 1 172 79 19 GLY HA2 H 3.543 0.020 2 173 79 19 GLY HA3 H 4.168 0.020 2 174 79 19 GLY CA C 48.210 0.400 1 175 79 19 GLY N N 101.917 0.400 1 176 80 20 VAL H H 8.764 0.020 1 177 80 20 VAL HA H 3.547 0.020 1 178 80 20 VAL HB H 2.215 0.020 1 179 80 20 VAL HG1 H 0.735 0.020 1 180 80 20 VAL HG2 H 1.005 0.020 1 181 80 20 VAL CA C 66.760 0.400 1 182 80 20 VAL CB C 31.523 0.400 1 183 80 20 VAL CG1 C 23.173 0.400 1 184 80 20 VAL CG2 C 21.825 0.400 1 185 80 20 VAL N N 118.963 0.400 1 186 81 21 MET H H 8.265 0.020 1 187 81 21 MET HA H 3.882 0.020 1 188 81 21 MET HB2 H 2.212 0.020 2 189 81 21 MET HB3 H 1.890 0.020 2 190 81 21 MET HG2 H 2.419 0.020 2 191 81 21 MET HG3 H 2.621 0.020 2 192 81 21 MET CA C 59.151 0.400 1 193 81 21 MET CB C 32.469 0.400 1 194 81 21 MET CG C 32.851 0.400 1 195 81 21 MET N N 112.810 0.400 1 196 82 22 ALA H H 8.216 0.020 1 197 82 22 ALA HA H 3.840 0.020 1 198 82 22 ALA HB H 1.219 0.020 1 199 82 22 ALA CA C 55.722 0.400 1 200 82 22 ALA CB C 17.578 0.400 1 201 82 22 ALA N N 116.833 0.400 1 202 83 23 GLY H H 8.862 0.020 1 203 83 23 GLY HA2 H 4.013 0.020 2 204 83 23 GLY HA3 H 3.688 0.020 2 205 83 23 GLY CA C 48.065 0.400 1 206 83 23 GLY N N 101.653 0.400 1 207 84 24 VAL H H 8.622 0.020 1 208 84 24 VAL HA H 3.869 0.020 1 209 84 24 VAL HB H 2.088 0.020 1 210 84 24 VAL HG1 H 0.797 0.020 1 211 84 24 VAL HG2 H 0.962 0.020 1 212 84 24 VAL CA C 66.345 0.400 1 213 84 24 VAL CB C 31.652 0.400 1 214 84 24 VAL CG1 C 20.663 0.400 1 215 84 24 VAL CG2 C 21.247 0.400 1 216 84 24 VAL N N 121.349 0.400 1 217 85 25 ILE H H 8.250 0.020 1 218 85 25 ILE HA H 3.464 0.020 1 219 85 25 ILE HB H 1.785 0.020 1 220 85 25 ILE HG12 H 1.008 0.020 1 221 85 25 ILE HG13 H 1.008 0.020 1 222 85 25 ILE HG2 H 0.791 0.020 1 223 85 25 ILE HD1 H 0.633 0.020 1 224 85 25 ILE CA C 65.624 0.400 1 225 85 25 ILE CB C 37.822 0.400 1 226 85 25 ILE CG1 C 29.319 0.400 1 227 85 25 ILE CG2 C 17.136 0.400 1 228 85 25 ILE CD1 C 13.117 0.400 1 229 85 25 ILE N N 113.731 0.400 1 230 86 26 GLY H H 8.959 0.020 1 231 86 26 GLY HA2 H 3.593 0.020 1 232 86 26 GLY HA3 H 3.593 0.020 1 233 86 26 GLY CA C 47.747 0.400 1 234 86 26 GLY N N 102.113 0.400 1 235 87 27 THR H H 7.903 0.020 1 236 87 27 THR HA H 3.737 0.020 1 237 87 27 THR HB H 4.322 0.020 1 238 87 27 THR HG1 H 4.914 0.020 1 239 87 27 THR HG2 H 1.113 0.020 1 240 87 27 THR CA C 69.225 0.400 1 241 87 27 THR CB C 67.955 0.400 1 242 87 27 THR CG2 C 21.610 0.400 1 243 87 27 THR N N 114.653 0.400 1 244 88 28 ILE H H 8.136 0.020 1 245 88 28 ILE HA H 3.570 0.020 1 246 88 28 ILE HB H 2.014 0.020 1 247 88 28 ILE HG12 H 1.828 0.020 2 248 88 28 ILE HG13 H 1.109 0.020 2 249 88 28 ILE HG2 H 0.856 0.020 1 250 88 28 ILE HD1 H 0.769 0.020 1 251 88 28 ILE CA C 65.931 0.400 1 252 88 28 ILE CB C 37.330 0.400 1 253 88 28 ILE CG1 C 29.115 0.400 1 254 88 28 ILE CG2 C 17.129 0.400 1 255 88 28 ILE CD1 C 12.858 0.400 1 256 88 28 ILE N N 117.164 0.400 1 257 89 29 LEU H H 8.606 0.020 1 258 89 29 LEU HA H 3.973 0.020 1 259 89 29 LEU HB2 H 2.013 0.020 1 260 89 29 LEU HB3 H 1.455 0.020 1 261 89 29 LEU HG H 1.861 0.020 1 262 89 29 LEU HD1 H 0.861 0.020 2 263 89 29 LEU CA C 58.785 0.400 1 264 89 29 LEU CB C 41.917 0.400 1 265 89 29 LEU CG C 26.751 0.400 1 266 89 29 LEU CD1 C 23.319 0.400 1 267 89 29 LEU N N 117.380 0.400 1 268 90 30 LEU H H 8.438 0.020 1 269 90 30 LEU HA H 4.052 0.020 1 270 90 30 LEU HB2 H 1.737 0.020 1 271 90 30 LEU HB3 H 1.911 0.020 1 272 90 30 LEU HG H 1.829 0.020 1 273 90 30 LEU HD1 H 0.849 0.020 2 274 90 30 LEU HD2 H 0.849 0.020 2 275 90 30 LEU CA C 59.072 0.400 1 276 90 30 LEU CB C 42.201 0.400 1 277 90 30 LEU CG C 27.262 0.400 1 278 90 30 LEU CD1 C 23.352 0.400 1 279 90 30 LEU N N 116.958 0.400 1 280 91 31 ILE H H 8.514 0.020 1 281 91 31 ILE HA H 3.637 0.020 1 282 91 31 ILE HB H 1.928 0.020 1 283 91 31 ILE HG12 H 1.957 0.020 2 284 91 31 ILE HG13 H 0.990 0.020 2 285 91 31 ILE HG2 H 0.841 0.020 1 286 91 31 ILE HD1 H 0.725 0.020 1 287 91 31 ILE CA C 66.218 0.400 1 288 91 31 ILE CB C 38.018 0.400 1 289 91 31 ILE CG1 C 29.319 0.400 1 290 91 31 ILE CG2 C 17.524 0.400 1 291 91 31 ILE CD1 C 12.845 0.400 1 292 91 31 ILE N N 114.691 0.400 1 293 92 32 SER H H 8.368 0.020 1 294 92 32 SER HA H 3.994 0.020 1 295 92 32 SER HB2 H 3.811 0.020 1 296 92 32 SER HB3 H 3.811 0.020 1 297 92 32 SER HG H 4.625 0.020 1 298 92 32 SER CA C 63.217 0.400 1 299 92 32 SER CB C 63.328 0.400 1 300 92 32 SER N N 111.489 0.400 1 301 93 33 TYR H H 8.244 0.020 1 302 93 33 TYR HA H 4.164 0.020 1 303 93 33 TYR HB2 H 3.184 0.020 2 304 93 33 TYR HB3 H 3.074 0.020 2 305 93 33 TYR HD1 H 7.046 0.020 1 306 93 33 TYR HD2 H 7.046 0.020 1 307 93 33 TYR HE1 H 6.751 0.020 1 308 93 33 TYR HE2 H 6.751 0.020 1 309 93 33 TYR CA C 61.624 0.400 1 310 93 33 TYR CB C 39.055 0.400 1 311 93 33 TYR CD1 C 118.058 0.400 1 312 93 33 TYR N N 117.630 0.400 1 313 94 34 GLY H H 8.604 0.020 1 314 94 34 GLY HA2 H 3.620 0.020 2 315 94 34 GLY HA3 H 3.670 0.020 2 316 94 34 GLY CA C 47.811 0.400 1 317 94 34 GLY N N 102.867 0.400 1 318 95 35 ILE H H 8.459 0.020 1 319 95 35 ILE HA H 3.889 0.020 1 320 95 35 ILE HB H 1.974 0.020 1 321 95 35 ILE HG12 H 1.669 0.020 1 322 95 35 ILE HG13 H 1.291 0.020 1 323 95 35 ILE HG2 H 0.930 0.020 1 324 95 35 ILE HD1 H 0.875 0.020 1 325 95 35 ILE CA C 64.272 0.400 1 326 95 35 ILE CB C 38.153 0.400 1 327 95 35 ILE CG1 C 28.823 0.400 1 328 95 35 ILE CD1 C 13.669 0.400 1 329 95 35 ILE N N 114.533 0.400 1 330 96 36 ARG H H 7.487 0.020 1 331 96 36 ARG HA H 4.162 0.020 1 332 96 36 ARG HB2 H 1.831 0.020 1 333 96 36 ARG HB3 H 1.955 0.020 1 334 96 36 ARG HG2 H 1.693 0.020 1 335 96 36 ARG HG3 H 1.693 0.020 1 336 96 36 ARG HD2 H 3.195 0.020 1 337 96 36 ARG HD3 H 3.195 0.020 1 338 96 36 ARG HE H 7.421 0.020 1 339 96 36 ARG CA C 57.796 0.400 1 340 96 36 ARG CB C 30.392 0.400 1 341 96 36 ARG CG C 26.424 0.400 1 342 96 36 ARG CD C 43.631 0.400 1 343 96 36 ARG N N 113.881 0.400 1 344 97 37 ARG H H 7.672 0.020 1 345 97 37 ARG HA H 4.283 0.020 1 346 97 37 ARG HB2 H 1.662 0.020 1 347 97 37 ARG HB3 H 1.976 0.020 1 348 97 37 ARG HG2 H 1.697 0.020 2 349 97 37 ARG HG3 H 1.505 0.020 2 350 97 37 ARG HD2 H 3.031 0.020 1 351 97 37 ARG HD3 H 3.031 0.020 1 352 97 37 ARG HE H 7.397 0.020 1 353 97 37 ARG HH21 H 7.334 0.020 1 354 97 37 ARG HH22 H 7.334 0.020 1 355 97 37 ARG CA C 55.946 0.400 1 356 97 37 ARG CB C 31.000 0.400 1 357 97 37 ARG CG C 27.266 0.400 1 358 97 37 ARG CD C 43.120 0.400 1 359 97 37 ARG N N 114.304 0.400 1 360 98 38 LEU H H 7.244 0.020 1 361 98 38 LEU HA H 4.092 0.020 1 362 98 38 LEU HB2 H 1.798 0.020 1 363 98 38 LEU HB3 H 1.535 0.020 1 364 98 38 LEU HG H 1.688 0.020 1 365 98 38 LEU HD1 H 0.880 0.020 2 366 98 38 LEU HD2 H 0.880 0.020 2 367 98 38 LEU CA C 57.117 0.400 1 368 98 38 LEU CB C 43.452 0.400 1 369 98 38 LEU CG C 26.625 0.400 1 370 98 38 LEU CD1 C 23.313 0.400 1 371 98 38 LEU N N 121.612 0.400 1 stop_ save_ save_shifts_bic _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $bic_15N13C stop_ _Sample_conditions_label $bicelles _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments 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 61 1 ARG HA H 4.140 0.020 1 2 61 1 ARG HB2 H 1.961 0.020 1 3 61 1 ARG HB3 H 1.961 0.020 1 4 61 1 ARG HG2 H 1.671 0.020 1 5 61 1 ARG HG3 H 1.671 0.020 1 6 61 1 ARG HD2 H 3.225 0.020 1 7 61 1 ARG HD3 H 3.225 0.020 1 8 61 1 ARG CA C 55.133 0.400 1 9 61 1 ARG CB C 30.993 0.400 1 10 61 1 ARG CG C 26.072 0.400 1 11 61 1 ARG CD C 43.071 0.400 1 12 62 2 VAL HA H 4.174 0.020 1 13 62 2 VAL HB H 2.045 0.020 1 14 62 2 VAL HG1 H 0.951 0.020 2 15 62 2 VAL C C 174.070 0.400 1 16 62 2 VAL CA C 62.182 0.400 1 17 62 2 VAL CB C 32.539 0.400 1 18 62 2 VAL CG1 C 21.274 0.400 1 19 63 3 GLN H H 8.466 0.020 1 20 63 3 GLN HA H 4.457 0.020 1 21 63 3 GLN HB2 H 2.082 0.020 2 22 63 3 GLN HB3 H 1.961 0.020 2 23 63 3 GLN HG2 H 2.331 0.020 1 24 63 3 GLN HG3 H 2.331 0.020 1 25 63 3 GLN HE21 H 7.464 0.020 2 26 63 3 GLN HE22 H 6.803 0.020 2 27 63 3 GLN C C 174.243 0.400 1 28 63 3 GLN CA C 55.104 0.400 1 29 63 3 GLN CB C 29.799 0.400 1 30 63 3 GLN CG C 33.593 0.400 1 31 63 3 GLN N N 120.821 0.400 1 32 63 3 GLN NE2 N 107.494 0.400 1 33 64 4 LEU H H 8.350 0.020 1 34 64 4 LEU HA H 4.385 0.020 1 35 64 4 LEU HB2 H 1.616 0.020 1 36 64 4 LEU HB3 H 1.616 0.020 1 37 64 4 LEU HG H 1.681 0.020 1 38 64 4 LEU HD1 H 0.923 0.020 2 39 64 4 LEU C C 175.551 0.400 1 40 64 4 LEU CA C 54.759 0.400 1 41 64 4 LEU CB C 42.888 0.400 1 42 64 4 LEU CG C 26.972 0.400 1 43 64 4 LEU CD1 C 25.132 0.400 1 44 64 4 LEU N N 119.818 0.400 1 45 65 5 ALA H H 8.293 0.020 1 46 65 5 ALA HA H 4.286 0.020 1 47 65 5 ALA HB H 1.324 0.020 1 48 65 5 ALA C C 175.999 0.400 1 49 65 5 ALA CA C 52.289 0.400 1 50 65 5 ALA CB C 19.439 0.400 1 51 65 5 ALA N N 119.785 0.400 1 52 66 6 HIS H H 8.005 0.020 1 53 66 6 HIS HA H 4.462 0.020 1 54 66 6 HIS HB2 H 3.006 0.020 2 55 66 6 HIS HB3 H 2.855 0.020 2 56 66 6 HIS C C 172.348 0.400 1 57 66 6 HIS CA C 55.324 0.400 1 58 66 6 HIS CB C 29.322 0.400 1 59 66 6 HIS N N 112.484 0.400 1 60 67 7 HIS H H 8.165 0.020 1 61 67 7 HIS HA H 4.677 0.020 1 62 67 7 HIS HB2 H 3.073 0.020 2 63 67 7 HIS HB3 H 2.990 0.020 2 64 67 7 HIS C C 172.815 0.400 1 65 67 7 HIS CA C 54.340 0.400 1 66 67 7 HIS CB C 29.030 0.400 1 67 67 7 HIS N N 116.988 0.400 1 68 68 8 PHE H H 8.483 0.020 1 69 68 8 PHE HB2 H 2.914 0.020 2 70 68 8 PHE HB3 H 3.117 0.020 2 71 68 8 PHE HD1 H 7.357 0.020 1 72 68 8 PHE C C 174.056 0.400 1 73 68 8 PHE CA C 58.126 0.400 1 74 68 8 PHE CB C 40.008 0.400 1 75 68 8 PHE N N 118.665 0.400 1 76 69 9 SER H H 8.589 0.020 1 77 69 9 SER HA H 4.678 0.020 1 78 69 9 SER HB2 H 4.051 0.020 1 79 69 9 SER HB3 H 4.241 0.020 1 80 69 9 SER C C 173.571 0.400 1 81 69 9 SER CA C 56.529 0.400 1 82 69 9 SER N N 113.795 0.400 1 83 70 10 GLU H H 9.236 0.020 1 84 70 10 GLU HA H 4.298 0.020 1 85 70 10 GLU HB2 H 2.385 0.020 2 86 70 10 GLU HB3 H 2.461 0.020 2 87 70 10 GLU HG2 H 2.212 0.020 1 88 70 10 GLU HG3 H 2.212 0.020 1 89 70 10 GLU CA C 61.132 0.400 1 90 70 10 GLU CB C 35.210 0.400 1 91 70 10 GLU N N 116.736 0.400 1 92 71 11 PRO HA H 4.306 0.020 1 93 71 11 PRO HB2 H 2.363 0.020 1 94 71 11 PRO HB3 H 1.868 0.020 1 95 71 11 PRO HG2 H 2.010 0.020 1 96 71 11 PRO HG3 H 2.215 0.020 1 97 71 11 PRO HD2 H 3.882 0.020 1 98 71 11 PRO HD3 H 3.990 0.020 1 99 71 11 PRO C C 178.081 0.400 1 100 71 11 PRO CA C 66.209 0.400 1 101 71 11 PRO CB C 31.503 0.400 1 102 71 11 PRO CG C 28.463 0.400 1 103 71 11 PRO CD C 50.010 0.400 1 104 72 12 GLU H H 7.465 0.020 1 105 72 12 GLU HA H 3.953 0.020 1 106 72 12 GLU HB2 H 2.336 0.020 2 107 72 12 GLU HB3 H 2.454 0.020 2 108 72 12 GLU C C 177.343 0.400 1 109 72 12 GLU CA C 59.835 0.400 1 110 72 12 GLU CB C 36.743 0.400 1 111 72 12 GLU N N 111.252 0.400 1 112 73 13 ILE H H 8.246 0.020 1 113 73 13 ILE HA H 3.628 0.020 1 114 73 13 ILE HB H 2.023 0.020 1 115 73 13 ILE HG12 H 1.708 0.020 2 116 73 13 ILE HG13 H 1.121 0.020 2 117 73 13 ILE HG2 H 0.855 0.020 1 118 73 13 ILE HD1 H 0.772 0.020 1 119 73 13 ILE C C 176.727 0.400 1 120 73 13 ILE CA C 64.245 0.400 1 121 73 13 ILE CB C 37.375 0.400 1 122 73 13 ILE CG1 C 29.327 0.400 1 123 73 13 ILE CG2 C 17.620 0.400 1 124 73 13 ILE CD1 C 12.940 0.400 1 125 73 13 ILE N N 113.452 0.400 1 126 74 14 THR H H 8.249 0.020 1 127 74 14 THR HA H 3.647 0.020 1 128 74 14 THR HB H 4.249 0.020 1 129 74 14 THR HG1 H 4.620 0.020 1 130 74 14 THR HG2 H 1.106 0.020 1 131 74 14 THR C C 174.654 0.400 1 132 74 14 THR CA C 67.677 0.400 1 133 74 14 THR CB C 67.796 0.400 1 134 74 14 THR CG2 C 22.052 0.400 1 135 74 14 THR N N 112.050 0.400 1 136 75 15 LEU H H 7.653 0.020 1 137 75 15 LEU HA H 4.000 0.020 1 138 75 15 LEU HB2 H 2.154 0.020 1 139 75 15 LEU HB3 H 1.928 0.020 1 140 75 15 LEU HG H 1.457 0.020 1 141 75 15 LEU HD1 H 1.053 0.020 1 142 75 15 LEU HD2 H 0.861 0.020 1 143 75 15 LEU C C 177.764 0.400 1 144 75 15 LEU CA C 58.602 0.400 1 145 75 15 LEU CB C 42.036 0.400 1 146 75 15 LEU CD1 C 26.508 0.400 1 147 75 15 LEU CD2 C 23.496 0.400 1 148 75 15 LEU N N 116.007 0.400 1 149 76 16 ILE H H 7.752 0.020 1 150 76 16 ILE HA H 3.741 0.020 1 151 76 16 ILE HB H 2.036 0.020 1 152 76 16 ILE HG12 H 1.079 0.020 1 153 76 16 ILE HG13 H 1.079 0.020 1 154 76 16 ILE HG2 H 0.843 0.020 1 155 76 16 ILE HD1 H 0.687 0.020 1 156 76 16 ILE C C 177.502 0.400 1 157 76 16 ILE CA C 65.579 0.400 1 158 76 16 ILE CB C 36.717 0.400 1 159 76 16 ILE CG1 C 29.568 0.400 1 160 76 16 ILE CG2 C 17.416 0.400 1 161 76 16 ILE CD1 C 13.545 0.400 1 162 76 16 ILE N N 113.529 0.400 1 163 77 17 ILE H H 8.530 0.020 1 164 77 17 ILE HA H 3.557 0.020 1 165 77 17 ILE HB H 2.020 0.020 1 166 77 17 ILE HG12 H 1.792 0.020 1 167 77 17 ILE HG13 H 1.128 0.020 1 168 77 17 ILE HG2 H 0.898 0.020 1 169 77 17 ILE HD1 H 0.740 0.020 1 170 77 17 ILE C C 176.708 0.400 1 171 77 17 ILE CA C 65.134 0.400 1 172 77 17 ILE CB C 38.484 0.400 1 173 77 17 ILE CG1 C 29.288 0.400 1 174 77 17 ILE CG2 C 17.926 0.400 1 175 77 17 ILE CD1 C 13.007 0.400 1 176 77 17 ILE N N 114.682 0.400 1 177 78 18 PHE H H 8.683 0.020 1 178 78 18 PHE HA H 4.215 0.020 1 179 78 18 PHE HB2 H 3.232 0.020 1 180 78 18 PHE HB3 H 3.232 0.020 1 181 78 18 PHE C C 176.512 0.400 1 182 78 18 PHE CA C 61.309 0.400 1 183 78 18 PHE CB C 38.451 0.400 1 184 78 18 PHE N N 116.209 0.400 1 185 79 19 GLY H H 8.340 0.020 1 186 79 19 GLY HA2 H 3.557 0.020 2 187 79 19 GLY HA3 H 4.240 0.020 2 188 79 19 GLY C C 173.506 0.400 1 189 79 19 GLY CA C 47.853 0.400 1 190 79 19 GLY N N 101.766 0.400 1 191 80 20 VAL H H 8.845 0.020 1 192 80 20 VAL HA H 3.609 0.020 1 193 80 20 VAL HB H 2.246 0.020 1 194 80 20 VAL HG1 H 0.759 0.020 1 195 80 20 VAL HG2 H 1.046 0.020 1 196 80 20 VAL C C 177.511 0.400 1 197 80 20 VAL CA C 66.035 0.400 1 198 80 20 VAL CB C 31.753 0.400 1 199 80 20 VAL CG1 C 22.109 0.400 1 200 80 20 VAL CG2 C 23.383 0.400 1 201 80 20 VAL N N 118.310 0.400 1 202 81 21 MET H H 8.381 0.020 1 203 81 21 MET HA H 3.903 0.020 1 204 81 21 MET HB2 H 2.287 0.020 2 205 81 21 MET HB3 H 1.896 0.020 2 206 81 21 MET HG2 H 2.376 0.020 2 207 81 21 MET HG3 H 2.677 0.020 2 208 81 21 MET HE H 1.879 0.020 1 209 81 21 MET C C 176.764 0.400 1 210 81 21 MET CA C 58.941 0.400 1 211 81 21 MET CB C 31.390 0.400 1 212 81 21 MET CG C 32.873 0.400 1 213 81 21 MET CE C 16.441 0.400 1 214 81 21 MET N N 112.329 0.400 1 215 82 22 ALA H H 8.281 0.020 1 216 82 22 ALA HA H 3.838 0.020 1 217 82 22 ALA HB H 1.254 0.020 1 218 82 22 ALA C C 178.529 0.400 1 219 82 22 ALA CA C 55.192 0.400 1 220 82 22 ALA CB C 17.742 0.400 1 221 82 22 ALA N N 116.323 0.400 1 222 83 23 GLY H H 8.874 0.020 1 223 83 23 GLY HA2 H 4.188 0.020 2 224 83 23 GLY HA3 H 3.726 0.020 2 225 83 23 GLY C C 174.785 0.400 1 226 83 23 GLY CA C 47.571 0.400 1 227 83 23 GLY N N 100.839 0.400 1 228 84 24 VAL H H 8.665 0.020 1 229 84 24 VAL HA H 3.904 0.020 1 230 84 24 VAL HB H 2.074 0.020 1 231 84 24 VAL HG1 H 0.857 0.020 1 232 84 24 VAL HG2 H 0.994 0.020 1 233 84 24 VAL C C 176.830 0.400 1 234 84 24 VAL CA C 65.671 0.400 1 235 84 24 VAL CB C 32.342 0.400 1 236 84 24 VAL CG1 C 20.620 0.400 1 237 84 24 VAL CG2 C 21.759 0.400 1 238 84 24 VAL N N 120.335 0.400 1 239 85 25 ILE H H 8.293 0.020 1 240 85 25 ILE HA H 3.573 0.020 1 241 85 25 ILE HB H 1.844 0.020 1 242 85 25 ILE HG12 H 1.036 0.020 1 243 85 25 ILE HG13 H 1.036 0.020 1 244 85 25 ILE HG2 H 0.861 0.020 1 245 85 25 ILE HD1 H 0.761 0.020 1 246 85 25 ILE C C 177.101 0.400 1 247 85 25 ILE CA C 65.313 0.400 1 248 85 25 ILE CB C 37.490 0.400 1 249 85 25 ILE CG2 C 17.676 0.400 1 250 85 25 ILE CD1 C 13.015 0.400 1 251 85 25 ILE N N 112.968 0.400 1 252 86 26 GLY H H 8.899 0.020 1 253 86 26 GLY HA2 H 3.544 0.020 1 254 86 26 GLY HA3 H 3.544 0.020 1 255 86 26 GLY C C 173.281 0.400 1 256 86 26 GLY CA C 47.616 0.400 1 257 86 26 GLY N N 101.320 0.400 1 258 87 27 THR H H 7.851 0.020 1 259 87 27 THR HA H 3.784 0.020 1 260 87 27 THR HB H 4.338 0.020 1 261 87 27 THR HG1 H 4.940 0.020 1 262 87 27 THR HG2 H 1.160 0.020 1 263 87 27 THR C C 175.298 0.400 1 264 87 27 THR CA C 68.577 0.400 1 265 87 27 THR CB C 67.303 0.400 1 266 87 27 THR CG2 C 21.804 0.400 1 267 87 27 THR N N 113.612 0.400 1 268 88 28 ILE H H 8.169 0.020 1 269 88 28 ILE HA H 3.573 0.020 1 270 88 28 ILE HB H 2.054 0.020 1 271 88 28 ILE HG12 H 1.825 0.020 2 272 88 28 ILE HG13 H 1.166 0.020 2 273 88 28 ILE HG2 H 0.850 0.020 1 274 88 28 ILE HD1 H 0.759 0.020 1 275 88 28 ILE C C 177.708 0.400 1 276 88 28 ILE CA C 65.188 0.400 1 277 88 28 ILE CB C 37.012 0.400 1 278 88 28 ILE CG1 C 29.365 0.400 1 279 88 28 ILE CG2 C 17.578 0.400 1 280 88 28 ILE CD1 C 13.761 0.400 1 281 88 28 ILE N N 115.978 0.400 1 282 89 29 LEU H H 8.524 0.020 1 283 89 29 LEU HA H 4.025 0.020 1 284 89 29 LEU HB2 H 1.920 0.020 1 285 89 29 LEU HB3 H 1.468 0.020 1 286 89 29 LEU HG H 1.892 0.020 1 287 89 29 LEU HD1 H 0.847 0.020 2 288 89 29 LEU HD2 H 0.847 0.020 2 289 89 29 LEU C C 177.483 0.400 1 290 89 29 LEU CA C 58.197 0.400 1 291 89 29 LEU CB C 41.808 0.400 1 292 89 29 LEU CG C 27.079 0.400 1 293 89 29 LEU CD1 C 25.944 0.400 1 294 89 29 LEU N N 116.454 0.400 1 295 90 30 LEU H H 8.230 0.020 1 296 90 30 LEU HA H 4.083 0.020 1 297 90 30 LEU HB2 H 1.737 0.020 1 298 90 30 LEU HB3 H 1.915 0.020 1 299 90 30 LEU HG H 1.785 0.020 1 300 90 30 LEU HD1 H 0.843 0.020 2 301 90 30 LEU HD2 H 0.843 0.020 2 302 90 30 LEU C C 177.922 0.400 1 303 90 30 LEU CA C 58.415 0.400 1 304 90 30 LEU CB C 42.029 0.400 1 305 90 30 LEU CG C 27.134 0.400 1 306 90 30 LEU CD1 C 24.850 0.400 1 307 90 30 LEU N N 115.204 0.400 1 308 91 31 ILE H H 8.362 0.020 1 309 91 31 ILE HA H 3.685 0.020 1 310 91 31 ILE HB H 1.920 0.020 1 311 91 31 ILE HG12 H 1.044 0.020 1 312 91 31 ILE HG13 H 1.044 0.020 1 313 91 31 ILE HG2 H 0.847 0.020 1 314 91 31 ILE HD1 H 0.759 0.020 1 315 91 31 ILE C C 176.382 0.400 1 316 91 31 ILE CA C 65.464 0.400 1 317 91 31 ILE CB C 37.942 0.400 1 318 91 31 ILE CG2 C 17.648 0.400 1 319 91 31 ILE CD1 C 13.940 0.400 1 320 91 31 ILE N N 113.157 0.400 1 321 92 32 SER H H 8.271 0.020 1 322 92 32 SER HA H 4.024 0.020 1 323 92 32 SER HB2 H 3.826 0.020 1 324 92 32 SER HB3 H 3.826 0.020 1 325 92 32 SER HG H 4.635 0.020 1 326 92 32 SER C C 174.626 0.400 1 327 92 32 SER CA C 62.873 0.400 1 328 92 32 SER CB C 62.942 0.400 1 329 92 32 SER N N 110.355 0.400 1 330 93 33 TYR H H 8.175 0.020 1 331 93 33 TYR HA H 4.209 0.020 1 332 93 33 TYR HB2 H 3.090 0.020 1 333 93 33 TYR HB3 H 3.090 0.020 1 334 93 33 TYR HD1 H 7.048 0.020 1 335 93 33 TYR HD2 H 7.048 0.020 1 336 93 33 TYR HE1 H 6.758 0.020 1 337 93 33 TYR C C 176.634 0.400 1 338 93 33 TYR CA C 61.153 0.400 1 339 93 33 TYR CB C 39.079 0.400 1 340 93 33 TYR N N 115.868 0.400 1 341 94 34 GLY H H 8.386 0.020 1 342 94 34 GLY HA2 H 3.793 0.020 2 343 94 34 GLY HA3 H 3.669 0.020 2 344 94 34 GLY C C 173.870 0.400 1 345 94 34 GLY CA C 46.944 0.400 1 346 94 34 GLY N N 101.611 0.400 1 347 95 35 ILE H H 8.160 0.020 1 348 95 35 ILE HA H 4.009 0.020 1 349 95 35 ILE HB H 2.053 0.020 1 350 95 35 ILE HG12 H 1.324 0.020 1 351 95 35 ILE HG13 H 1.658 0.020 1 352 95 35 ILE HG2 H 0.953 0.020 1 353 95 35 ILE HD1 H 0.833 0.020 1 354 95 35 ILE C C 175.821 0.400 1 355 95 35 ILE CA C 63.238 0.400 1 356 95 35 ILE CB C 37.899 0.400 1 357 95 35 ILE CG1 C 28.207 0.400 1 358 95 35 ILE CG2 C 17.934 0.400 1 359 95 35 ILE CD1 C 14.052 0.400 1 360 95 35 ILE N N 113.349 0.400 1 361 96 36 ARG H H 7.565 0.020 1 362 96 36 ARG HA H 4.225 0.020 1 363 96 36 ARG HB2 H 1.858 0.020 1 364 96 36 ARG HB3 H 1.978 0.020 1 365 96 36 ARG HG2 H 1.730 0.020 2 366 96 36 ARG HG3 H 1.683 0.020 2 367 96 36 ARG HD2 H 3.191 0.020 1 368 96 36 ARG HD3 H 3.191 0.020 1 369 96 36 ARG HE H 7.350 0.020 1 370 96 36 ARG HH11 H 6.820 0.020 1 371 96 36 ARG HH12 H 6.820 0.020 1 372 96 36 ARG C C 175.532 0.400 1 373 96 36 ARG CA C 56.986 0.400 1 374 96 36 ARG CB C 30.181 0.400 1 375 96 36 ARG CG C 27.637 0.400 1 376 96 36 ARG CD C 43.552 0.400 1 377 96 36 ARG N N 114.358 0.400 1 378 96 36 ARG NE N 80.739 0.400 1 379 97 37 ARG H H 7.737 0.020 1 380 97 37 ARG HA H 4.341 0.020 1 381 97 37 ARG HB2 H 1.721 0.020 1 382 97 37 ARG HB3 H 1.895 0.020 1 383 97 37 ARG HG2 H 1.557 0.020 1 384 97 37 ARG HG3 H 1.557 0.020 1 385 97 37 ARG HD2 H 3.059 0.020 1 386 97 37 ARG HD3 H 3.059 0.020 1 387 97 37 ARG HE H 7.324 0.020 1 388 97 37 ARG HH11 H 6.679 0.020 1 389 97 37 ARG HH12 H 6.679 0.020 1 390 97 37 ARG CA C 55.340 0.400 1 391 97 37 ARG CB C 30.579 0.400 1 392 97 37 ARG CG C 26.872 0.400 1 393 97 37 ARG CD C 43.146 0.400 1 394 97 37 ARG N N 113.967 0.400 1 395 97 37 ARG NE N 80.691 0.400 1 396 98 38 LEU H H 7.404 0.020 1 397 98 38 LEU HA H 4.181 0.020 1 398 98 38 LEU HB2 H 1.713 0.020 1 399 98 38 LEU HB3 H 1.603 0.020 1 400 98 38 LEU HG H 1.579 0.020 1 401 98 38 LEU HD1 H 0.873 0.020 2 402 98 38 LEU CA C 56.092 0.400 1 403 98 38 LEU CB C 43.162 0.400 1 404 98 38 LEU CD1 C 23.733 0.400 1 405 98 38 LEU N N 120.975 0.400 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_mic _Saveframe_category coupling_constants _Details . loop_ _Sample_label $mic_N15 stop_ _Sample_conditions_label $micelles _Spectrometer_frequency_1H 600 _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 GLN H 3 GLN HA 7.7 . . 0.1 2 3JHNHA 4 LEU H 4 LEU HA 8.4 . . 2.0 3 3JHNHA 5 ALA H 5 ALA HA 6.7 . . 0.2 4 3JHNHA 6 HIS H 6 HIS HA 6.8 . . 0.9 5 3JHNHA 7 HIS H 7 HIS HA 8.2 . . 5.0 6 3JHNHA 8 PHE H 8 PHE HA 8.7 . . 1.1 7 3JHNHA 9 SER H 9 SER HA 7.5 . . 2.6 8 3JHNHA 13 ILE H 13 ILE HA 3.9 . . 4.0 9 3JHNHA 14 THR H 14 THR HA 2.9 . . 3.0 10 3JHNHA 15 LEU H 15 LEU HA 4.0 . . 4.0 11 3JHNHA 16 ILE H 16 ILE HA 4.5 . . 3.5 12 3JHNHA 17 ILE H 17 ILE HA 3.4 . . 1.9 13 3JHNHA 18 PHE H 18 PHE HA 4.3 . . 0.7 14 3JHNHA 19 GLY H 19 GLY HA 4.3 . . 2.0 15 3JHNHA 19 GLY H 19 GLY HA 5.5 . . 1.7 16 3JHNHA 20 VAL H 20 VAL HA 3.8 . . 1.2 17 3JHNHA 21 MET H 21 MET HA 4.4 . . 0.7 18 3JHNHA 22 ALA H 22 ALA HA 4.3 . . 0.4 19 3JHNHA 23 GLY H 23 GLY HA 4.9 . . 1.5 20 3JHNHA 23 GLY H 23 GLY HA 5.1 . . 1.4 21 3JHNHA 24 VAL H 24 VAL HA 4.8 . . 0.9 22 3JHNHA 25 ILE H 25 ILE HA 4.2 . . 1.0 23 3JHNHA 27 THR H 27 THR HA 5.3 . . 0.6 24 3JHNHA 28 ILE H 28 ILE HA 4.7 . . 0.8 25 3JHNHA 29 LEU H 29 LEU HA 3.6 . . 0.8 26 3JHNHA 30 LEU H 30 LEU HA 4.0 . . 0.5 27 3JHNHA 31 ILE H 31 ILE HA 3.6 . . 0.8 28 3JHNHA 32 SER H 32 SER HA 3.5 . . 0.7 29 3JHNHA 33 TYR H 33 TYR HA 5.5 . . 0.4 30 3JHNHA 35 ILE H 35 ILE HA 5.2 . . 0.7 31 3JHNHA 36 ARG H 36 ARG HA 5.3 . . 0.2 32 3JHNHA 37 ARG H 37 ARG HA 8.0 . . 0.1 33 3JHNHA 38 LEU H 38 LEU HA 6.5 . . 0.2 34 3JNHB 37 ARG N 37 ARG HB2 -3.0 . . 0.5 35 3JNHB 37 ARG N 37 ARG HB3 -1.6 . . 0.4 36 3JNHB 36 ARG N 36 ARG HB2 -3.3 . . 0.8 37 3JNHB 36 ARG N 36 ARG HB3 -2.4 . . 0.8 38 3JNHB 38 LEU N 38 LEU HB3 -4.0 . . 0.8 39 3JNHB 38 LEU N 38 LEU HB2 -1.2 . . 0.8 40 3JNHB 29 LEU N 29 LEU HB3 -2.8 . . 0.7 41 3JNHB 29 LEU N 29 LEU HB2 -1.6 . . 1.2 42 3JNHB 21 MET N 21 MET HB2 -2.7 . . 0.8 43 3JNHB 21 MET N 21 MET HB3 -0.8 . . 0.8 44 3JNHB 17 ILE N 17 ILE HB -1.7 . . 0.9 45 3JNHB 35 ILE N 35 ILE HB -2.0 . . 0.2 46 3JNHB 20 VAL N 20 VAL HB -0.7 . . 1.2 47 3JNHB 24 VAL N 24 VAL HB -0.8 . . 1.1 48 3JNHB 25 ILE N 25 ILE HB -1.6 . . 0.8 49 3JNHB 28 ILE N 28 ILE HB -0.6 . . 0.9 50 3JNHB 30 LEU N 30 LEU HB3 -2.5 . . 0.6 51 3JNHB 30 LEU N 30 LEU HB2 -0.0 . . 1.2 52 3JNHB 31 ILE N 31 ILE HB -1.0 . . 1.0 53 3JNHB 33 TYR N 33 TYR HB3 -0.7 . . 0.9 54 3JNHB 33 TYR N 33 TYR HB2 -1.8 . . 0.7 stop_ save_ save_J_coupling_list_bic _Saveframe_category coupling_constants _Details . loop_ _Sample_label $bic_15N stop_ _Sample_conditions_label $bicelles _Spectrometer_frequency_1H 600 _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 GLN H 3 GLN HA 7.22 . . 0.01 2 3JHNHA 4 LEU H 4 LEU HA 6.53 . . 0.01 3 3JHNHA 5 ALA H 5 ALA HA 6.21 . . 0.02 4 3JHNHA 6 HIS H 6 HIS HA 6.18 . . 0.07 5 3JHNHA 7 HIS H 7 HIS HA 3.40 . . 0.48 6 3JHNHA 9 SER H 9 SER HA 2.50 . . 3.81 7 3JHNHA 10 GLU H 10 GLU HA 7.57 . . 3.81 8 3JHNHA 12 GLU H 12 GLU HA 2.32 . . 2.98 9 3JHNHA 13 ILE H 13 ILE HA 3.33 . . 0.89 10 3JHNHA 14 THR H 14 THR HA 2.84 . . 0.44 11 3JHNHA 15 LEU H 15 LEU HA 1.82 . . 1.90 12 3JHNHA 16 ILE H 16 ILE HA 1.81 . . 1.89 13 3JHNHA 17 ILE H 17 ILE HA 3.00 . . 1.37 14 3JHNHA 18 PHE H 18 PHE HA 3.99 . . 0.36 15 3JHNHA 20 VAL H 20 VAL HA 4.17 . . 0.93 16 3JHNHA 21 MET H 21 MET HA 3.67 . . 0.53 17 3JHNHA 22 ALA H 22 ALA HA 3.82 . . 0.33 18 3JHNHA 24 VAL H 24 VAL HA 3.33 . . 0.82 19 3JHNHA 25 ILE H 25 ILE HA 1.26 . . 1.90 20 3JHNHA 27 THR H 27 THR HA 2.79 . . 1.04 21 3JHNHA 29 LEU H 29 LEU HA 2.89 . . 0.60 22 3JHNHA 30 LEU H 30 LEU HA 2.50 . . 0.59 23 3JHNHA 31 ILE H 31 ILE HA 4.51 . . 0.38 24 3JHNHA 32 SER H 32 SER HA 3.25 . . 0.20 25 3JHNHA 34 GLY H 34 GLY HA1 2.80 . . 0.28 26 3JHNHA 34 GLY H 34 GLY HA2 4.55 . . 0.17 27 3JHNHA 35 ILE H 35 ILE HA 4.57 . . 0.20 28 3JHNHA 36 ARG H 36 ARG HA 5.93 . . 0.10 29 3JHNHA 37 ARG H 37 ARG HA 7.57 . . 0.08 30 3JHNHA 38 LEU H 38 LEU HA 6.93 . . 0.07 stop_ save_ save_T1_list_bic _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $bic_15N stop_ _Sample_conditions_label $bicelles _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 7.25000e-01 2.45500e-02 2 4 LEU N 7.53900e-01 1.81900e-02 3 5 ALA N 7.40000e-01 2.19100e-02 4 6 HIS N 7.29900e-01 5.73300e-02 5 7 HIS N 7.44900e-01 6.30100e-02 6 8 PHE N 8.46100e-01 3.68800e-02 7 9 SER N 9.56900e-01 5.08900e-02 8 10 GLU N 1.22300e+00 8.72000e-02 9 12 GLU N 1.31500e+00 2.19700e-01 10 13 ILE N 1.23000e+00 4.46300e-02 11 14 THR N 1.22100e+00 5.09100e-02 12 15 LEU N 1.17700e+00 3.94000e-02 13 16 ILE N 1.29400e+00 4.95000e-02 14 17 ILE N 1.29000e+00 7.49400e-02 15 18 PHE N 1.19600e+00 4.96100e-02 16 20 VAL N 1.19600e+00 3.56100e-02 17 21 MET N 1.22900e+00 4.73900e-02 18 22 ALA N 1.22400e+00 6.14400e-02 19 23 GLY N 1.29800e+00 5.58300e-02 20 24 VAL N 1.24400e+00 2.97100e-02 21 25 ILE N 1.26700e+00 3.36900e-02 22 26 GLY N 1.27900e+00 6.15500e-02 23 27 THR N 1.22300e+00 4.18400e-02 24 29 LEU N 1.18600e+00 3.29500e-02 25 30 LEU N 1.17300e+00 3.60400e-02 26 31 ILE N 1.23500e+00 2.84700e-02 27 32 SER N 1.23100e+00 4.02300e-02 28 35 ILE N 1.05200e+00 1.74500e-02 29 36 ARG N 9.10800e-01 1.14900e-02 30 37 ARG N 8.84800e-01 7.41000e-03 31 38 LEU N 8.26300e-01 1.03200e-02 stop_ save_ save_T1_list_mic _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $mic_N15 stop_ _Sample_conditions_label $micelles _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 6.20800e-01 3.80500e-02 2 4 LEU N 6.77800e-01 3.26500e-02 3 5 ALA N 6.48900e-01 4.11500e-02 4 6 HIS N 6.67800e-01 5.73200e-02 5 7 HIS N 5.07900e-01 7.04500e-02 6 8 PHE N 8.14400e-01 5.57100e-02 7 9 SER N 9.27100e-01 8.21500e-02 8 13 ILE N 1.02800e+00 5.77800e-02 9 14 THR N 9.55100e-01 4.08700e-02 10 15 LEU N 1.07200e+00 6.19100e-02 11 16 ILE N 1.05200e+00 5.02400e-02 12 17 ILE N 9.96300e-01 2.22700e-02 13 18 PHE N 9.85900e-01 2.56400e-02 14 19 GLY N 1.01300e+00 1.59400e-02 15 20 VAL N 1.05300e+00 2.05600e-02 16 21 MET N 1.07300e+00 3.70900e-02 17 22 ALA N 1.03400e+00 1.87400e-02 18 23 GLY N 1.02900e+00 2.29800e-02 19 24 VAL N 1.04100e+00 3.46600e-02 20 25 ILE N 1.02400e+00 3.09900e-02 21 26 GLY N 1.02400e+00 1.87200e-02 22 27 THR N 9.59500e-01 1.69800e-02 23 28 ILE N 1.04100e+00 2.38600e-02 24 29 LEU N 9.66000e-01 2.01800e-02 25 30 LEU N 9.74100e-01 1.87300e-02 26 31 ILE N 9.90200e-01 1.59800e-02 27 32 SER N 1.01800e+00 2.65700e-02 28 33 TYR N 9.86300e-01 3.77100e-02 29 34 GLY N 9.45100e-01 2.03900e-02 30 35 ILE N 9.30900e-01 2.03900e-02 31 36 ARG N 8.68000e-01 6.12100e-03 32 37 ARG N 8.49200e-01 1.30200e-02 33 38 LEU N 8.17500e-01 1.05400e-02 stop_ save_ save_T2_list_bic _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $bic_15N stop_ _Sample_conditions_label $bicelles _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLN N 3.00300e-01 3.10600e-03 . . 2 4 LEU N 1.98400e-01 1.13600e-03 . . 3 5 ALA N 1.95700e-01 1.07300e-03 . . 4 6 HIS N 1.34500e-01 2.19100e-03 . . 5 7 HIS N 9.31600e-02 2.32900e-03 . . 6 8 PHE N 8.08100e-02 2.21300e-03 . . 7 9 SER N 6.28600e-02 3.89000e-03 . . 8 10 GLU N 5.00100e-02 2.01400e-03 . . 9 12 GLU N 3.64100e-02 1.29800e-02 . . 10 13 ILE N 5.45700e-02 8.67600e-04 . . 11 14 THR N 4.91000e-02 1.86600e-03 . . 12 15 LEU N 4.38500e-02 3.14500e-03 . . 13 16 ILE N 4.97900e-02 2.09500e-03 . . 14 17 ILE N 4.29200e-02 2.30300e-03 . . 15 18 PHE N 4.36700e-02 1.62000e-03 . . 16 20 VAL N 4.54800e-02 3.24700e-03 . . 17 21 MET N 4.66700e-02 1.77700e-03 . . 18 22 ALA N 6.62900e-02 3.38400e-03 . . 19 23 GLY N 4.81400e-02 2.92300e-03 . . 20 24 VAL N 4.47300e-02 2.14300e-03 . . 21 25 ILE N 4.79700e-02 1.15600e-03 . . 22 26 GLY N 4.43300e-02 2.43000e-03 . . 23 27 THR N 5.17900e-02 2.97800e-03 . . 24 29 LEU N 5.14000e-02 1.90600e-03 . . 25 30 LEU N 5.86400e-02 2.88400e-03 . . 26 31 ILE N 4.80600e-02 9.92500e-04 . . 27 32 SER N 4.91200e-02 6.40100e-04 . . 28 35 ILE N 5.60400e-02 7.19500e-04 . . 29 36 ARG N 5.82400e-02 1.64400e-03 . . 30 37 ARG N 7.26400e-02 9.66500e-04 . . 31 38 LEU N 9.12100e-02 1.19800e-03 . . stop_ save_ save_T2_list_mic _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $mic_N15 stop_ _Sample_conditions_label $micelles _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'dimer of Glycophorin A transmembrane segments A' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLN N 2.09100e-01 5.33600e-03 . . 2 4 LEU N 1.72000e-01 3.62500e-03 . . 3 5 ALA N 1.05600e-01 1.49200e-03 . . 4 6 HIS N 1.24400e-01 1.06100e-02 . . 5 7 HIS N 8.04000e-02 2.16400e-02 . . 6 8 PHE N 5.30900e-02 4.26800e-03 . . 7 9 SER N 4.45900e-02 4.77900e-03 . . 8 13 ILE N 5.47000e-02 7.55000e-03 . . 9 14 THR N 5.83500e-02 5.45700e-03 . . 10 15 LEU N 5.85500e-02 4.84300e-03 . . 11 16 ILE N 5.46700e-02 4.21500e-03 . . 12 17 ILE N 5.71200e-02 2.88300e-03 . . 13 18 PHE N 6.24100e-02 2.22100e-03 . . 14 19 GLY N 5.72800e-02 3.01700e-03 . . 15 20 VAL N 6.13600e-02 2.29600e-03 . . 16 21 MET N 5.54200e-02 2.07200e-03 . . 17 22 ALA N 5.74400e-02 2.24000e-03 . . 18 23 GLY N 5.87300e-02 1.07600e-03 . . 19 24 VAL N 6.96300e-02 3.42500e-03 . . 20 25 ILE N 5.79300e-02 2.75000e-03 . . 21 26 GLY N 5.82800e-02 1.05100e-03 . . 22 27 THR N 5.74400e-02 3.28300e-03 . . 23 28 ILE N 6.10000e-02 2.30400e-03 . . 24 29 LEU N 6.03200e-02 1.50500e-03 . . 25 30 LEU N 6.41600e-02 2.73200e-03 . . 26 31 ILE N 6.27100e-02 9.18900e-04 . . 27 32 SER N 5.70300e-02 1.54400e-03 . . 28 33 TYR N 6.30700e-02 2.39700e-03 . . 29 34 GLY N 6.46100e-02 2.45300e-03 . . 30 35 ILE N 6.31600e-02 5.56200e-04 . . 31 36 ARG N 6.78400e-02 1.69100e-03 . . 32 37 ARG N 8.38800e-02 2.35100e-03 . . 33 38 LEU N 1.06700e-01 3.38500e-03 . . stop_ save_