data_16497 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the Integrin AlphaIIb-Beta3 Transmembrane Complex ; _BMRB_accession_number 16497 _BMRB_flat_file_name bmr16497.str _Entry_type original _Submission_date 2009-09-15 _Accession_date 2009-09-15 _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 Lau Tong-Lay . . 2 Ulmer Tobias S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 326 "13C chemical shifts" 203 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-09 update author 'add related PDB ID' 2009-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of the integrin alphaIIbbeta3 transmembrane complex explains integrin transmembrane signalling' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19279667 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lau Tong-Lay . . 2 Kim Chungho . . 3 Ginsberg Mark H. . 4 Ulmer Tobias S. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 28 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1351 _Page_last 1361 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Integrin aIIbb3 transmembrane complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Integrin aIIb transmembrane segment' $Integrin_aIIb_transmembrane_segment_b3_complexed 'Integrin b3 transmembrane segment' $Integrin_b3_transmembrane_segment_aIIb_complexed stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Integrin_aIIb_transmembrane_segment_b3_complexed _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Integrin_aIIb_transmembrane_segment,_b3_complexed _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GALEERAIPIWWVLVGVLGG LLLLTILVLAMWKVGFFKRN RP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 957 GLY 2 958 ALA 3 959 LEU 4 960 GLU 5 961 GLU 6 962 ARG 7 963 ALA 8 964 ILE 9 965 PRO 10 966 ILE 11 967 TRP 12 968 TRP 13 969 VAL 14 970 LEU 15 971 VAL 16 972 GLY 17 973 VAL 18 974 LEU 19 975 GLY 20 976 GLY 21 977 LEU 22 978 LEU 23 979 LEU 24 980 LEU 25 981 THR 26 982 ILE 27 983 LEU 28 984 VAL 29 985 LEU 30 986 ALA 31 987 MET 32 988 TRP 33 989 LYS 34 990 VAL 35 991 GLY 36 992 PHE 37 993 PHE 38 994 LYS 39 995 ARG 40 996 ASN 41 997 ARG 42 998 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16496 AIIbTMCD 92.86 54 100.00 100.00 3.57e-05 PDB 2K1A "Bicelle-Embedded Integrin Alpha(Iib) Transmembrane Segment" 100.00 42 100.00 100.00 1.42e-18 PDB 2K9J "Integrin Alphaiib-Beta3 Transmembrane Complex" 100.00 42 100.00 100.00 1.42e-18 PDB 2KNC "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" 92.86 54 100.00 100.00 3.57e-05 DBJ BAG37735 "unnamed protein product [Homo sapiens]" 97.62 1039 100.00 100.00 1.98e-18 DBJ BAI46167 "integrin, alpha 2b [synthetic construct]" 97.62 1039 100.00 100.00 1.98e-18 EMBL CAA29987 "platelet glycoprotein IIb (648 AA) [Homo sapiens]" 97.62 648 100.00 100.00 2.28e-19 GB AAA35926 "platelet glycoprotein IIb (GPIIb) [Homo sapiens]" 95.24 1039 100.00 100.00 5.48e-05 GB AAA52597 "glycoprotein IIb, partial [Homo sapiens]" 97.62 172 100.00 100.00 8.38e-18 GB AAA53150 "platelet Glycoprotein IIb (GPIIb), partial [Homo sapiens]" 97.62 1039 100.00 100.00 1.98e-18 GB AAA60114 "platelet membrane glycoprotein IIb [Homo sapiens]" 97.62 1039 100.00 100.00 1.98e-18 GB AAA65936 "glycoprotein IIb, partial [Papio cynocephalus]" 97.62 604 100.00 100.00 1.14e-19 PRF 1403305A "protein GPIIb" 97.62 649 100.00 100.00 2.62e-19 REF NP_000410 "integrin alpha-IIb preproprotein [Homo sapiens]" 97.62 1039 100.00 100.00 1.98e-18 REF XP_001114526 "PREDICTED: integrin alpha-IIb [Macaca mulatta]" 97.62 1039 100.00 100.00 7.09e-19 REF XP_001150497 "PREDICTED: integrin alpha-IIb isoform X2 [Pan troglodytes]" 97.62 1108 100.00 100.00 1.11e-18 REF XP_002827479 "PREDICTED: integrin alpha-IIb [Pongo abelii]" 97.62 1039 100.00 100.00 1.27e-18 REF XP_003282434 "PREDICTED: LOW QUALITY PROTEIN: integrin alpha-IIb [Nomascus leucogenys]" 97.62 1040 100.00 100.00 9.95e-19 SP P08514 "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" 97.62 1039 100.00 100.00 1.98e-18 SP P53711 "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" 97.62 604 100.00 100.00 1.14e-19 stop_ save_ save_Integrin_b3_transmembrane_segment_aIIb_complexed _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Integrin_b3_transmembrane_segment,_aIIb_complexed _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 43 _Mol_residue_sequence ; PESPKGPDILVVLLSVMGAI LLIGLAALLIWKLLITIHDR KEF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 685 PRO 2 686 GLU 3 687 SER 4 688 PRO 5 689 LYS 6 690 GLY 7 691 PRO 8 692 ASP 9 693 ILE 10 694 LEU 11 695 VAL 12 696 VAL 13 697 LEU 14 698 LEU 15 699 SER 16 700 VAL 17 701 MET 18 702 GLY 19 703 ALA 20 704 ILE 21 705 LEU 22 706 LEU 23 707 ILE 24 708 GLY 25 709 LEU 26 710 ALA 27 711 ALA 28 712 LEU 29 713 LEU 30 714 ILE 31 715 TRP 32 716 LYS 33 717 LEU 34 718 LEU 35 719 ILE 36 720 THR 37 721 ILE 38 722 HIS 39 723 ASP 40 724 ARG 41 725 LYS 42 726 GLU 43 727 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16496 B3TMCD 90.70 79 100.00 100.00 6.87e-07 BMRB 17185 beta3 100.00 43 100.00 100.00 2.90e-19 PDB 2K9J "Integrin Alphaiib-Beta3 Transmembrane Complex" 100.00 43 100.00 100.00 2.90e-19 PDB 2KNC "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" 90.70 79 100.00 100.00 6.87e-07 PDB 2RMZ "Bicelle-Embedded Integrin Beta3 Transmembrane Segment" 100.00 43 100.00 100.00 2.90e-19 PDB 2RN0 "Micelle-Embedded Integrin Beta3 Transmembrane Segment" 100.00 43 100.00 100.00 2.90e-19 DBJ BAG62151 "unnamed protein product [Homo sapiens]" 100.00 751 97.67 97.67 8.70e-19 DBJ BAJ17755 "integrin, beta 3 [synthetic construct]" 100.00 788 97.67 97.67 9.15e-19 GB AAA35927 "plate glycoprotein IIIa (GPIIIa) [Homo sapiens]" 100.00 788 97.67 97.67 9.15e-19 GB AAA36121 "integrin beta-3, partial [Homo sapiens]" 100.00 74 97.67 97.67 9.82e-19 GB AAA52589 "glycoprotein IIIa precursor [Homo sapiens]" 100.00 788 97.67 97.67 9.15e-19 GB AAA52600 "platelet glycoprotein IIIa, partial [Homo sapiens]" 100.00 761 97.67 97.67 8.83e-19 GB AAA60122 "glycoprotein IIIa [Homo sapiens]" 100.00 788 97.67 97.67 9.15e-19 REF NP_000203 "integrin beta-3 precursor [Homo sapiens]" 100.00 788 97.67 97.67 9.15e-19 REF XP_002748172 "PREDICTED: integrin beta-3 [Callithrix jacchus]" 100.00 788 97.67 97.67 9.15e-19 REF XP_002834363 "PREDICTED: integrin beta-3 isoform X1 [Pongo abelii]" 100.00 788 97.67 97.67 9.15e-19 REF XP_003270746 "PREDICTED: integrin beta-3 [Nomascus leucogenys]" 100.00 788 97.67 97.67 9.15e-19 REF XP_004041501 "PREDICTED: integrin beta-3 [Gorilla gorilla gorilla]" 100.00 788 97.67 97.67 9.15e-19 SP P05106 "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" 100.00 788 97.67 97.67 9.15e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Integrin_aIIb_transmembrane_segment_b3_complexed Human 9606 Eukaryota Metazoa Homo sapiens $Integrin_b3_transmembrane_segment_aIIb_complexed Human 9606 Eukaryota Metazoa Homo sapiens 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 $Integrin_aIIb_transmembrane_segment_b3_complexed 'recombinant technology' 'E. coli' Escherichia coli . pET-44 $Integrin_b3_transmembrane_segment_aIIb_complexed 'recombinant technology' 'E. coli' Escherichia coli . pET-44 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 $Integrin_aIIb_transmembrane_segment_b3_complexed 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $Integrin_b3_transmembrane_segment_aIIb_complexed 0.8 mM 'natural abundance' HEPES/NaOH 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Integrin_aIIb_transmembrane_segment_b3_complexed 0.9 mM 'natural abundance' $Integrin_b3_transmembrane_segment_aIIb_complexed 0.6 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' HEPES/NaOH 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.025 . M pH 7.4 . pH pressure 1 . atm temperature 301.2 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.742 internal indirect . . . 0.25144954 water H 1 protons ppm 4.742 internal direct . . . 1 water N 15 protons ppm 4.742 internal indirect . . . 0.10132900 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Integrin b3 transmembrane segment' _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 1 691 7 PRO HA H 4.362 0.020 1 2 691 7 PRO HB2 H 2.254 0.020 2 3 691 7 PRO HB3 H 1.873 0.020 2 4 691 7 PRO C C 176.183 0.300 1 5 691 7 PRO CA C 62.991 0.300 1 6 692 8 ASP H H 8.163 0.020 1 7 692 8 ASP HA H 4.453 0.020 1 8 692 8 ASP HB2 H 2.751 0.020 1 9 692 8 ASP HB3 H 2.751 0.020 1 10 692 8 ASP C C 176.944 0.300 1 11 692 8 ASP CA C 54.399 0.300 1 12 692 8 ASP N N 120.444 0.300 1 13 693 9 ILE H H 8.130 0.020 1 14 693 9 ILE HA H 3.789 0.020 1 15 693 9 ILE HB H 1.954 0.020 1 16 693 9 ILE HD1 H 0.877 0.020 1 17 693 9 ILE C C 176.539 0.300 1 18 693 9 ILE CA C 63.863 0.300 1 19 693 9 ILE CD1 C 13.078 0.300 1 20 693 9 ILE N N 122.940 0.300 1 21 694 10 LEU H H 7.993 0.020 1 22 694 10 LEU HA H 4.030 0.020 1 23 694 10 LEU HB2 H 1.747 0.020 2 24 694 10 LEU HB3 H 1.747 0.020 2 25 694 10 LEU HD1 H 0.979 0.020 1 26 694 10 LEU HD2 H 0.979 0.020 1 27 694 10 LEU C C 178.499 0.300 1 28 694 10 LEU CA C 57.775 0.300 1 29 694 10 LEU CD1 C 24.112 0.300 1 30 694 10 LEU CD2 C 24.112 0.300 1 31 694 10 LEU N N 120.732 0.300 1 32 695 11 VAL H H 7.601 0.020 1 33 695 11 VAL HA H 3.596 0.020 1 34 695 11 VAL HB H 2.278 0.020 1 35 695 11 VAL HG1 H 1.108 0.020 1 36 695 11 VAL HG2 H 0.971 0.020 1 37 695 11 VAL C C 179.285 0.300 1 38 695 11 VAL CA C 66.397 0.300 1 39 695 11 VAL CG1 C 22.906 0.300 1 40 695 11 VAL CG2 C 21.065 0.300 1 41 695 11 VAL N N 118.002 0.300 1 42 696 12 VAL H H 7.948 0.020 1 43 696 12 VAL HA H 3.551 0.020 1 44 696 12 VAL HB H 2.342 0.020 1 45 696 12 VAL HG1 H 1.088 0.020 1 46 696 12 VAL HG2 H 0.925 0.020 1 47 696 12 VAL C C 177.074 0.300 1 48 696 12 VAL CA C 66.931 0.300 1 49 696 12 VAL CG1 C 22.593 0.300 1 50 696 12 VAL CG2 C 21.141 0.300 1 51 696 12 VAL N N 121.984 0.300 1 52 697 13 LEU H H 8.556 0.020 1 53 697 13 LEU HA H 3.869 0.020 1 54 697 13 LEU HB2 H 1.911 0.020 2 55 697 13 LEU HB3 H 1.911 0.020 2 56 697 13 LEU HD1 H 0.861 0.020 1 57 697 13 LEU HD2 H 0.841 0.020 1 58 697 13 LEU C C 179.066 0.300 1 59 697 13 LEU CA C 58.507 0.300 1 60 697 13 LEU CD1 C 24.182 0.300 1 61 697 13 LEU CD2 C 23.667 0.300 1 62 697 13 LEU N N 118.413 0.300 1 63 698 14 LEU H H 8.524 0.020 1 64 698 14 LEU HA H 4.021 0.020 1 65 698 14 LEU HB2 H 1.863 0.020 2 66 698 14 LEU HB3 H 1.457 0.020 2 67 698 14 LEU HD1 H 0.882 0.020 1 68 698 14 LEU HD2 H 0.849 0.020 1 69 698 14 LEU C C 179.147 0.300 1 70 698 14 LEU CA C 57.671 0.300 1 71 698 14 LEU CD1 C 25.230 0.300 1 72 698 14 LEU CD2 C 22.855 0.300 1 73 698 14 LEU N N 116.419 0.300 1 74 699 15 SER H H 8.078 0.020 1 75 699 15 SER HA H 4.135 0.020 1 76 699 15 SER HB2 H 3.719 0.020 1 77 699 15 SER HB3 H 3.719 0.020 1 78 699 15 SER HG H 4.266 0.020 1 79 699 15 SER C C 175.462 0.300 1 80 699 15 SER CA C 63.067 0.300 1 81 699 15 SER N N 115.587 0.300 1 82 700 16 VAL H H 8.153 0.020 1 83 700 16 VAL HA H 3.564 0.020 1 84 700 16 VAL HB H 2.095 0.020 1 85 700 16 VAL HG1 H 1.061 0.020 1 86 700 16 VAL HG2 H 0.911 0.020 1 87 700 16 VAL C C 177.357 0.300 1 88 700 16 VAL CA C 66.528 0.300 1 89 700 16 VAL CG1 C 23.024 0.300 1 90 700 16 VAL CG2 C 21.291 0.300 1 91 700 16 VAL N N 121.241 0.300 1 92 701 17 MET H H 8.339 0.020 1 93 701 17 MET HA H 3.975 0.020 1 94 701 17 MET HB2 H 2.009 0.020 1 95 701 17 MET HB3 H 2.009 0.020 1 96 701 17 MET C C 178.321 0.300 1 97 701 17 MET CA C 60.074 0.300 1 98 701 17 MET N N 117.048 0.300 1 99 702 18 GLY H H 8.694 0.020 1 100 702 18 GLY HA2 H 3.613 0.020 1 101 702 18 GLY HA3 H 3.613 0.020 1 102 702 18 GLY C C 174.150 0.300 1 103 702 18 GLY CA C 46.750 0.300 1 104 702 18 GLY N N 105.382 0.300 1 105 703 19 ALA H H 8.257 0.020 1 106 703 19 ALA HA H 3.995 0.020 1 107 703 19 ALA HB H 1.447 0.020 1 108 703 19 ALA C C 178.750 0.300 1 109 703 19 ALA CA C 55.293 0.300 1 110 703 19 ALA N N 123.277 0.300 1 111 704 20 ILE H H 7.804 0.020 1 112 704 20 ILE HA H 3.545 0.020 1 113 704 20 ILE HB H 1.993 0.020 1 114 704 20 ILE HD1 H 0.779 0.020 1 115 704 20 ILE C C 177.349 0.300 1 116 704 20 ILE CA C 64.098 0.300 1 117 704 20 ILE CD1 C 13.128 0.300 1 118 704 20 ILE N N 116.465 0.300 1 119 705 21 LEU H H 8.031 0.020 1 120 705 21 LEU HA H 3.980 0.020 1 121 705 21 LEU HB2 H 1.812 0.020 2 122 705 21 LEU HB3 H 1.656 0.020 2 123 705 21 LEU HD1 H 0.880 0.020 1 124 705 21 LEU HD2 H 0.880 0.020 1 125 705 21 LEU C C 175.688 0.300 1 126 705 21 LEU CA C 57.775 0.300 1 127 705 21 LEU CD1 C 24.445 0.300 1 128 705 21 LEU CD2 C 24.445 0.300 1 129 705 21 LEU N N 119.050 0.300 1 130 706 22 LEU H H 8.420 0.020 1 131 706 22 LEU HA H 3.991 0.020 1 132 706 22 LEU HB2 H 1.847 0.020 2 133 706 22 LEU HB3 H 1.634 0.020 2 134 706 22 LEU HD1 H 0.853 0.020 1 135 706 22 LEU HD2 H 0.853 0.020 1 136 706 22 LEU C C 178.466 0.300 1 137 706 22 LEU CA C 57.880 0.300 1 138 706 22 LEU CD1 C 23.727 0.300 1 139 706 22 LEU CD2 C 23.727 0.300 1 140 706 22 LEU N N 117.626 0.300 1 141 707 23 ILE H H 8.323 0.020 1 142 707 23 ILE HA H 3.516 0.020 1 143 707 23 ILE HB H 1.943 0.020 1 144 707 23 ILE HD1 H 0.773 0.020 1 145 707 23 ILE C C 177.633 0.300 1 146 707 23 ILE CA C 64.829 0.300 1 147 707 23 ILE CD1 C 12.874 0.300 1 148 707 23 ILE N N 118.559 0.300 1 149 708 24 GLY H H 8.459 0.020 1 150 708 24 GLY HA2 H 3.638 0.020 1 151 708 24 GLY HA3 H 3.638 0.020 1 152 708 24 GLY C C 174.571 0.300 1 153 708 24 GLY CA C 47.194 0.300 1 154 708 24 GLY N N 106.444 0.300 1 155 709 25 LEU H H 8.677 0.020 1 156 709 25 LEU HA H 3.989 0.020 1 157 709 25 LEU HB2 H 1.929 0.020 2 158 709 25 LEU HB3 H 1.929 0.020 2 159 709 25 LEU HD1 H 0.837 0.020 1 160 709 25 LEU HD2 H 0.837 0.020 1 161 709 25 LEU C C 178.313 0.300 1 162 709 25 LEU CA C 57.627 0.300 1 163 709 25 LEU CD1 C 23.688 0.300 1 164 709 25 LEU CD2 C 23.688 0.300 1 165 709 25 LEU N N 120.887 0.300 1 166 710 26 ALA H H 8.543 0.020 1 167 710 26 ALA HA H 3.934 0.020 1 168 710 26 ALA HB H 1.464 0.020 1 169 710 26 ALA C C 178.839 0.300 1 170 710 26 ALA CA C 55.319 0.300 1 171 710 26 ALA N N 120.514 0.300 1 172 711 27 ALA H H 8.319 0.020 1 173 711 27 ALA HA H 3.955 0.020 1 174 711 27 ALA HB H 1.462 0.020 1 175 711 27 ALA C C 178.920 0.300 1 176 711 27 ALA CA C 55.267 0.300 1 177 711 27 ALA N N 118.681 0.300 1 178 712 28 LEU H H 8.115 0.020 1 179 712 28 LEU HA H 3.980 0.020 1 180 712 28 LEU HB2 H 1.938 0.020 2 181 712 28 LEU HB3 H 1.938 0.020 2 182 712 28 LEU HD1 H 0.989 0.020 1 183 712 28 LEU HD2 H 0.989 0.020 1 184 712 28 LEU CA C 57.958 0.300 1 185 712 28 LEU CD1 C 24.903 0.300 1 186 712 28 LEU CD2 C 24.903 0.300 1 187 712 28 LEU N N 117.350 0.300 1 188 713 29 LEU HA H 4.048 0.020 1 189 713 29 LEU HB2 H 1.812 0.020 2 190 713 29 LEU HB3 H 1.812 0.020 2 191 713 29 LEU HD1 H 0.882 0.020 1 192 713 29 LEU HD2 H 0.852 0.020 1 193 713 29 LEU C C 178.661 0.300 1 194 713 29 LEU CA C 57.723 0.300 1 195 713 29 LEU CD1 C 24.702 0.300 1 196 713 29 LEU CD2 C 23.782 0.300 1 197 714 30 ILE H H 8.620 0.020 1 198 714 30 ILE HA H 3.944 0.020 1 199 714 30 ILE HB H 2.041 0.020 1 200 714 30 ILE HD1 H 0.819 0.020 1 201 714 30 ILE C C 177.495 0.300 1 202 714 30 ILE CA C 65.117 0.300 1 203 714 30 ILE CD1 C 12.733 0.300 1 204 714 30 ILE N N 119.988 0.300 1 205 715 31 TRP H H 8.649 0.020 1 206 715 31 TRP HA H 4.313 0.020 1 207 715 31 TRP HB2 H 3.664 0.020 2 208 715 31 TRP HB3 H 3.312 0.020 2 209 715 31 TRP C C 176.175 0.300 1 210 715 31 TRP CA C 62.321 0.300 1 211 715 31 TRP N N 120.836 0.300 1 212 716 32 LYS H H 8.361 0.020 1 213 716 32 LYS HA H 3.764 0.020 1 214 716 32 LYS HB2 H 1.890 0.020 1 215 716 32 LYS HB3 H 1.890 0.020 1 216 716 32 LYS C C 179.455 0.300 1 217 716 32 LYS CA C 56.469 0.300 1 218 716 32 LYS N N 117.816 0.300 1 219 717 33 LEU H H 8.534 0.020 1 220 717 33 LEU HA H 4.045 0.020 1 221 717 33 LEU HB2 H 1.845 0.020 2 222 717 33 LEU HB3 H 1.845 0.020 2 223 717 33 LEU HD1 H 0.926 0.020 1 224 717 33 LEU HD2 H 0.926 0.020 1 225 717 33 LEU C C 177.495 0.300 1 226 717 33 LEU CA C 58.089 0.300 1 227 717 33 LEU CD1 C 24.263 0.300 1 228 717 33 LEU CD2 C 24.263 0.300 1 229 717 33 LEU N N 122.855 0.300 1 230 718 34 LEU H H 8.317 0.020 1 231 718 34 LEU HA H 3.979 0.020 1 232 718 34 LEU HB2 H 1.464 0.020 2 233 718 34 LEU HB3 H 1.464 0.020 2 234 718 34 LEU HD1 H 0.897 0.020 1 235 718 34 LEU HD2 H 0.849 0.020 1 236 718 34 LEU CA C 57.697 0.300 1 237 718 34 LEU CD1 C 25.632 0.300 1 238 718 34 LEU CD2 C 22.689 0.300 1 239 718 34 LEU N N 117.822 0.300 1 240 719 35 ILE HA H 3.827 0.020 1 241 719 35 ILE HB H 1.756 0.020 1 242 719 35 ILE HD1 H 0.562 0.020 1 243 719 35 ILE C C 177.074 0.300 1 244 719 35 ILE CD1 C 13.149 0.300 1 245 720 36 THR H H 7.535 0.020 1 246 720 36 THR HA H 4.031 0.020 1 247 720 36 THR HB H 4.358 0.020 1 248 720 36 THR C C 176.636 0.300 1 249 720 36 THR CA C 66.501 0.300 1 250 720 36 THR N N 118.784 0.300 1 251 721 37 ILE H H 7.740 0.020 1 252 721 37 ILE HA H 3.842 0.020 1 253 721 37 ILE HB H 1.942 0.020 1 254 721 37 ILE HD1 H 0.820 0.020 1 255 721 37 ILE C C 177.892 0.300 1 256 721 37 ILE CA C 64.542 0.300 1 257 721 37 ILE CD1 C 13.360 0.300 1 258 721 37 ILE N N 120.744 0.300 1 259 722 38 HIS H H 8.227 0.020 1 260 722 38 HIS HA H 4.315 0.020 1 261 722 38 HIS HB2 H 3.253 0.020 2 262 722 38 HIS HB3 H 3.143 0.020 2 263 722 38 HIS C C 176.661 0.300 1 264 722 38 HIS CA C 58.873 0.300 1 265 722 38 HIS N N 119.142 0.300 1 266 723 39 ASP H H 8.394 0.020 1 267 723 39 ASP HA H 4.365 0.020 1 268 723 39 ASP HB2 H 2.441 0.020 1 269 723 39 ASP HB3 H 2.441 0.020 1 270 723 39 ASP C C 176.944 0.300 1 271 723 39 ASP CA C 55.346 0.300 1 272 723 39 ASP N N 118.724 0.300 1 273 724 40 ARG H H 7.562 0.020 1 274 724 40 ARG HA H 4.274 0.020 1 275 724 40 ARG HB2 H 1.853 0.020 1 276 724 40 ARG HB3 H 1.853 0.020 1 277 724 40 ARG C C 176.434 0.300 1 278 724 40 ARG CA C 56.407 0.300 1 279 724 40 ARG N N 119.735 0.300 1 280 725 41 LYS H H 7.818 0.020 1 281 725 41 LYS HA H 4.243 0.020 1 282 725 41 LYS HB2 H 1.764 0.020 1 283 725 41 LYS HB3 H 1.764 0.020 1 284 725 41 LYS C C 176.231 0.300 1 285 725 41 LYS CA C 56.260 0.300 1 286 725 41 LYS N N 120.756 0.300 1 287 726 42 GLU H H 8.078 0.020 1 288 726 42 GLU HA H 4.222 0.020 1 289 726 42 GLU HB2 H 1.953 0.020 2 290 726 42 GLU HB3 H 1.845 0.020 2 291 726 42 GLU C C 175.122 0.300 1 292 726 42 GLU CA C 56.051 0.300 1 293 726 42 GLU N N 121.081 0.300 1 294 727 43 PHE H H 7.628 0.020 1 295 727 43 PHE CA C 58.771 0.300 1 296 727 43 PHE N N 125.208 0.300 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Integrin aIIb transmembrane segment' _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 1 959 3 LEU H H 8.452 0.020 1 2 959 3 LEU HA H 4.284 0.020 1 3 959 3 LEU HD1 H 0.942 0.020 1 4 959 3 LEU HD2 H 0.942 0.020 1 5 959 3 LEU C C 177.776 0.300 1 6 959 3 LEU CA C 55.711 0.300 1 7 959 3 LEU CD1 C 24.634 0.300 1 8 959 3 LEU CD2 C 24.634 0.300 1 9 959 3 LEU N N 119.555 0.300 1 10 960 4 GLU H H 8.310 0.020 1 11 960 4 GLU HA H 4.233 0.020 1 12 960 4 GLU HB2 H 2.048 0.020 1 13 960 4 GLU HB3 H 2.048 0.020 1 14 960 4 GLU C C 177.095 0.300 1 15 960 4 GLU CA C 57.144 0.300 1 16 960 4 GLU N N 120.942 0.300 1 17 961 5 GLU H H 8.187 0.020 1 18 961 5 GLU HA H 4.210 0.020 1 19 961 5 GLU HB2 H 2.053 0.020 1 20 961 5 GLU HB3 H 2.053 0.020 1 21 961 5 GLU CA C 56.543 0.300 1 22 961 5 GLU N N 121.043 0.300 1 23 962 6 ARG H H 8.022 0.020 1 24 962 6 ARG HA H 4.212 0.020 1 25 962 6 ARG C C 175.291 0.300 1 26 962 6 ARG CA C 55.289 0.300 1 27 962 6 ARG N N 120.230 0.300 1 28 963 7 ALA H H 8.060 0.020 1 29 963 7 ALA HA H 4.291 0.020 1 30 963 7 ALA HB H 1.377 0.020 1 31 963 7 ALA C C 176.981 0.300 1 32 963 7 ALA CA C 52.073 0.300 1 33 963 7 ALA N N 123.718 0.300 1 34 964 8 ILE H H 7.967 0.020 1 35 964 8 ILE HA H 4.114 0.020 1 36 964 8 ILE HB H 1.842 0.020 1 37 964 8 ILE HD1 H 0.913 0.020 1 38 964 8 ILE CA C 58.141 0.300 1 39 964 8 ILE CD1 C 12.823 0.300 1 40 964 8 ILE N N 119.904 0.300 1 41 966 10 ILE HA H 3.583 0.020 1 42 966 10 ILE HB H 1.971 0.020 1 43 966 10 ILE HD1 H 0.848 0.020 1 44 966 10 ILE CD1 C 12.736 0.300 1 45 967 11 TRP H H 8.123 0.020 1 46 967 11 TRP HA H 4.351 0.020 1 47 967 11 TRP C C 177.966 0.300 1 48 967 11 TRP CA C 59.991 0.300 1 49 967 11 TRP N N 119.449 0.300 1 50 968 12 TRP H H 7.230 0.020 1 51 968 12 TRP HA H 4.089 0.020 1 52 968 12 TRP CA C 59.264 0.300 1 53 968 12 TRP N N 119.447 0.300 1 54 969 13 VAL H H 7.360 0.020 1 55 969 13 VAL HA H 3.620 0.020 1 56 969 13 VAL HG1 H 1.057 0.020 1 57 969 13 VAL HG2 H 0.926 0.020 1 58 969 13 VAL C C 177.784 0.300 1 59 969 13 VAL CA C 66.112 0.300 1 60 969 13 VAL CG1 C 22.656 0.300 1 61 969 13 VAL CG2 C 21.274 0.300 1 62 969 13 VAL N N 117.767 0.300 1 63 970 14 LEU H H 8.025 0.020 1 64 970 14 LEU HA H 3.986 0.020 1 65 970 14 LEU HB2 H 1.887 0.020 2 66 970 14 LEU HB3 H 1.887 0.020 2 67 970 14 LEU HD1 H 0.840 0.020 1 68 970 14 LEU HD2 H 0.885 0.020 1 69 970 14 LEU C C 178.473 0.300 1 70 970 14 LEU CA C 57.901 0.300 1 71 970 14 LEU CD1 C 24.518 0.300 1 72 970 14 LEU CD2 C 23.570 0.300 1 73 970 14 LEU N N 118.505 0.300 1 74 971 15 VAL H H 8.255 0.020 1 75 971 15 VAL HA H 3.631 0.020 1 76 971 15 VAL HB H 2.289 0.020 1 77 971 15 VAL HG1 H 0.994 0.020 1 78 971 15 VAL HG2 H 0.961 0.020 1 79 971 15 VAL C C 177.829 0.300 1 80 971 15 VAL CA C 66.839 0.300 1 81 971 15 VAL CG1 C 22.901 0.300 1 82 971 15 VAL CG2 C 21.521 0.300 1 83 971 15 VAL N N 118.845 0.300 1 84 972 16 GLY H H 8.145 0.020 1 85 972 16 GLY HA2 H 3.610 0.020 1 86 972 16 GLY HA3 H 3.610 0.020 1 87 972 16 GLY C C 175.240 0.300 1 88 972 16 GLY CA C 47.118 0.300 1 89 972 16 GLY N N 107.638 0.300 1 90 973 17 VAL H H 8.628 0.020 1 91 973 17 VAL HA H 3.713 0.020 1 92 973 17 VAL HB H 2.326 0.020 1 93 973 17 VAL HG1 H 1.076 0.020 1 94 973 17 VAL HG2 H 0.884 0.020 1 95 973 17 VAL C C 177.519 0.300 1 96 973 17 VAL CA C 65.816 0.300 1 97 973 17 VAL CG1 C 22.951 0.300 1 98 973 17 VAL CG2 C 21.122 0.300 1 99 973 17 VAL N N 123.231 0.300 1 100 974 18 LEU H H 8.270 0.020 1 101 974 18 LEU HA H 4.023 0.020 1 102 974 18 LEU HB2 H 1.780 0.020 2 103 974 18 LEU HB3 H 1.780 0.020 2 104 974 18 LEU HD1 H 0.894 0.020 1 105 974 18 LEU HD2 H 0.842 0.020 1 106 974 18 LEU C C 178.844 0.300 1 107 974 18 LEU CA C 57.954 0.300 1 108 974 18 LEU CD1 C 24.524 0.300 1 109 974 18 LEU CD2 C 23.316 0.300 1 110 974 18 LEU N N 119.442 0.300 1 111 975 19 GLY H H 8.895 0.020 1 112 975 19 GLY HA2 H 3.622 0.020 1 113 975 19 GLY HA3 H 3.622 0.020 1 114 975 19 GLY C C 175.308 0.300 1 115 975 19 GLY CA C 47.009 0.300 1 116 975 19 GLY N N 106.592 0.300 1 117 976 20 GLY H H 8.737 0.020 1 118 976 20 GLY HA2 H 3.592 0.020 1 119 976 20 GLY HA3 H 3.592 0.020 1 120 976 20 GLY C C 174.785 0.300 1 121 976 20 GLY CA C 47.244 0.300 1 122 976 20 GLY N N 109.470 0.300 1 123 977 21 LEU H H 8.643 0.020 1 124 977 21 LEU HA H 4.008 0.020 1 125 977 21 LEU HB2 H 1.791 0.020 2 126 977 21 LEU HB3 H 1.791 0.020 2 127 977 21 LEU HD1 H 0.833 0.020 1 128 977 21 LEU HD2 H 0.813 0.020 1 129 977 21 LEU HG H 1.692 0.020 1 130 977 21 LEU C C 179.980 0.300 1 131 977 21 LEU CA C 57.614 0.300 1 132 977 21 LEU CD1 C 24.904 0.300 1 133 977 21 LEU CD2 C 23.134 0.300 1 134 977 21 LEU N N 121.122 0.300 1 135 978 22 LEU H H 8.500 0.020 1 136 978 22 LEU HA H 4.013 0.020 1 137 978 22 LEU HB2 H 1.799 0.020 2 138 978 22 LEU HB3 H 1.799 0.020 2 139 978 22 LEU HD1 H 0.890 0.020 1 140 978 22 LEU HD2 H 0.893 0.020 1 141 978 22 LEU HG H 1.704 0.020 1 142 978 22 LEU C C 178.185 0.300 1 143 978 22 LEU CA C 58.088 0.300 1 144 978 22 LEU CD1 C 24.114 0.300 1 145 978 22 LEU CD2 C 24.120 0.300 1 146 978 22 LEU N N 123.128 0.300 1 147 979 23 LEU H H 8.200 0.020 1 148 979 23 LEU HA H 4.008 0.020 1 149 979 23 LEU HB2 H 1.791 0.020 2 150 979 23 LEU HB3 H 1.791 0.020 2 151 979 23 LEU HD1 H 0.837 0.020 1 152 979 23 LEU HD2 H 0.839 0.020 1 153 979 23 LEU HG H 1.665 0.020 1 154 979 23 LEU C C 178.420 0.300 1 155 979 23 LEU CA C 57.801 0.300 1 156 979 23 LEU CD1 C 24.102 0.300 1 157 979 23 LEU CD2 C 24.179 0.300 1 158 979 23 LEU N N 118.566 0.300 1 159 980 24 LEU H H 8.503 0.020 1 160 980 24 LEU HA H 4.008 0.020 1 161 980 24 LEU HB2 H 1.791 0.020 2 162 980 24 LEU HB3 H 1.791 0.020 2 163 980 24 LEU HD1 H 0.869 0.020 1 164 980 24 LEU HD2 H 0.869 0.020 1 165 980 24 LEU HG H 1.673 0.020 1 166 980 24 LEU C C 177.655 0.300 1 167 980 24 LEU CA C 57.279 0.300 1 168 980 24 LEU CD1 C 24.185 0.300 1 169 980 24 LEU CD2 C 24.312 0.300 1 170 980 24 LEU N N 118.806 0.300 1 171 981 25 THR H H 8.087 0.020 1 172 981 25 THR HA H 4.372 0.020 1 173 981 25 THR HB H 3.684 0.020 1 174 981 25 THR HG1 H 4.175 0.020 1 175 981 25 THR C C 175.754 0.300 1 176 981 25 THR CA C 68.119 0.300 1 177 981 25 THR N N 116.775 0.300 1 178 982 26 ILE H H 7.728 0.020 1 179 982 26 ILE HA H 3.634 0.020 1 180 982 26 ILE HB H 2.049 0.020 1 181 982 26 ILE HD1 H 0.813 0.020 1 182 982 26 ILE C C 176.981 0.300 1 183 982 26 ILE CA C 64.984 0.300 1 184 982 26 ILE CD1 C 12.896 0.300 1 185 982 26 ILE N N 120.155 0.300 1 186 983 27 LEU H H 8.095 0.020 1 187 983 27 LEU HA H 4.032 0.020 1 188 983 27 LEU HB2 H 1.801 0.020 2 189 983 27 LEU HB3 H 1.801 0.020 2 190 983 27 LEU HD1 H 0.837 0.020 1 191 983 27 LEU HD2 H 0.837 0.020 1 192 983 27 LEU HG H 1.801 0.020 1 193 983 27 LEU C C 178.314 0.300 1 194 983 27 LEU CA C 57.958 0.300 1 195 983 27 LEU CD1 C 24.079 0.300 1 196 983 27 LEU CD2 C 24.035 0.300 1 197 983 27 LEU N N 119.896 0.300 1 198 984 28 VAL H H 8.807 0.020 1 199 984 28 VAL HA H 3.911 0.020 1 200 984 28 VAL HB H 2.257 0.020 1 201 984 28 VAL HG1 H 1.134 0.020 1 202 984 28 VAL HG2 H 0.998 0.020 1 203 984 28 VAL C C 178.085 0.300 1 204 984 28 VAL CA C 66.813 0.300 1 205 984 28 VAL CG1 C 23.063 0.300 1 206 984 28 VAL CG2 C 21.680 0.300 1 207 984 28 VAL N N 119.214 0.300 1 208 985 29 LEU H H 8.383 0.020 1 209 985 29 LEU HA H 3.784 0.020 1 210 985 29 LEU HB2 H 2.045 0.020 2 211 985 29 LEU HB3 H 2.045 0.020 2 212 985 29 LEU HD1 H 0.921 0.020 1 213 985 29 LEU HD2 H 0.913 0.020 1 214 985 29 LEU C C 178.429 0.300 1 215 985 29 LEU CA C 58.088 0.300 1 216 985 29 LEU CD1 C 25.343 0.300 1 217 985 29 LEU CD2 C 23.416 0.300 1 218 985 29 LEU N N 120.996 0.300 1 219 986 30 ALA H H 8.397 0.020 1 220 986 30 ALA HA H 4.114 0.020 1 221 986 30 ALA HB H 1.623 0.020 1 222 986 30 ALA C C 179.162 0.300 1 223 986 30 ALA CA C 55.163 0.300 1 224 986 30 ALA N N 121.876 0.300 1 225 987 31 MET H H 8.700 0.020 1 226 987 31 MET HA H 3.986 0.020 1 227 987 31 MET HB2 H 2.062 0.020 1 228 987 31 MET HB3 H 2.062 0.020 1 229 987 31 MET HG2 H 2.784 0.020 2 230 987 31 MET HG3 H 2.531 0.020 2 231 987 31 MET C C 178.109 0.300 1 232 987 31 MET CA C 58.633 0.300 1 233 987 31 MET N N 116.556 0.300 1 234 988 32 TRP H H 9.347 0.020 1 235 988 32 TRP HA H 4.057 0.020 1 236 988 32 TRP HB2 H 3.932 0.020 2 237 988 32 TRP HB3 H 3.443 0.020 2 238 988 32 TRP C C 180.427 0.300 1 239 988 32 TRP CA C 59.815 0.300 1 240 988 32 TRP N N 122.282 0.300 1 241 989 33 LYS H H 8.504 0.020 1 242 989 33 LYS HA H 3.711 0.020 1 243 989 33 LYS HB2 H 2.044 0.020 1 244 989 33 LYS HB3 H 2.044 0.020 1 245 989 33 LYS C C 177.754 0.300 1 246 989 33 LYS CA C 57.718 0.300 1 247 989 33 LYS N N 121.768 0.300 1 248 990 34 VAL H H 7.627 0.020 1 249 990 34 VAL HA H 4.264 0.020 1 250 990 34 VAL HB H 2.423 0.020 1 251 990 34 VAL HG1 H 1.032 0.020 1 252 990 34 VAL HG2 H 1.097 0.020 1 253 990 34 VAL C C 175.966 0.300 1 254 990 34 VAL CA C 61.036 0.300 1 255 990 34 VAL CG1 C 20.912 0.300 1 256 990 34 VAL CG2 C 20.075 0.300 1 257 990 34 VAL N N 109.925 0.300 1 258 991 35 GLY H H 7.596 0.020 1 259 991 35 GLY HA2 H 4.217 0.020 2 260 991 35 GLY HA3 H 3.913 0.020 2 261 991 35 GLY C C 176.451 0.300 1 262 991 35 GLY CA C 45.707 0.300 1 263 991 35 GLY N N 107.223 0.300 1 264 992 36 PHE H H 8.339 0.020 1 265 992 36 PHE HA H 4.035 0.020 1 266 992 36 PHE HB2 H 3.315 0.020 2 267 992 36 PHE HB3 H 3.195 0.020 2 268 992 36 PHE C C 175.179 0.300 1 269 992 36 PHE CA C 61.044 0.300 1 270 992 36 PHE N N 121.025 0.300 1 271 993 37 PHE H H 8.602 0.020 1 272 993 37 PHE HA H 4.451 0.020 1 273 993 37 PHE HB2 H 3.458 0.020 2 274 993 37 PHE HB3 H 3.084 0.020 2 275 993 37 PHE C C 174.619 0.300 1 276 993 37 PHE CA C 57.509 0.300 1 277 993 37 PHE N N 112.060 0.300 1 278 994 38 LYS H H 7.132 0.020 1 279 994 38 LYS HA H 4.312 0.020 1 280 994 38 LYS HB2 H 1.846 0.020 2 281 994 38 LYS HB3 H 1.756 0.020 2 282 994 38 LYS C C 176.307 0.300 1 283 994 38 LYS CA C 56.678 0.300 1 284 994 38 LYS N N 120.113 0.300 1 285 995 39 ARG H H 8.579 0.020 1 286 995 39 ARG HA H 4.361 0.020 1 287 995 39 ARG HB2 H 1.864 0.020 2 288 995 39 ARG HB3 H 1.680 0.020 2 289 995 39 ARG HD2 H 3.189 0.020 1 290 995 39 ARG HD3 H 3.189 0.020 1 291 995 39 ARG HG2 H 1.495 0.020 1 292 995 39 ARG HG3 H 1.495 0.020 1 293 995 39 ARG C C 176.088 0.300 1 294 995 39 ARG CA C 54.458 0.300 1 295 995 39 ARG N N 123.453 0.300 1 296 996 40 ASN H H 8.894 0.020 1 297 996 40 ASN HA H 4.812 0.020 1 298 996 40 ASN C C 174.187 0.300 1 299 996 40 ASN CA C 52.468 0.300 1 300 996 40 ASN N N 121.934 0.300 1 301 997 41 ARG H H 8.048 0.020 1 302 997 41 ARG HA H 4.323 0.020 1 303 997 41 ARG CA C 53.204 0.300 1 304 997 41 ARG N N 122.633 0.300 1 stop_ save_