data_16115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of an SH3-like Domain from p80-Coilin ; _BMRB_accession_number 16115 _BMRB_flat_file_name bmr16115.str _Entry_type original _Submission_date 2009-01-10 _Accession_date 2009-01-10 _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 Donaldson Logan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 367 "13C chemical shifts" 323 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-01 original author . stop_ _Original_release_date 2011-06-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the carboxy-terminal Tudor domain from human Coilin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20875822 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shanbhag Riya . . 2 Kurabi Arwa . . 3 Kwan Jamie J. . 4 Donaldson Logan W. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 584 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4351 _Page_last 4356 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p80-Coilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label coilin $coilin 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_coilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common coilin _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Cajal body protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH GSHMDYSLLPLLAAAPQVGE KIAFKLLELTSSYSPDVSDY KEGRILSHNPETQQVDIEIL SSLPALREPGKFDLVYHNEN GAEVVEYAVTQESKITVFWK ELIDPRLIIESPSNTSSTEP A ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -23 MET 2 -22 GLY 3 -21 SER 4 -20 SER 5 -19 HIS 6 -18 HIS 7 -17 HIS 8 -16 HIS 9 -15 HIS 10 -14 HIS 11 -13 SER 12 -12 SER 13 -11 GLY 14 -10 LEU 15 -9 VAL 16 -8 PRO 17 -7 ARG 18 -6 GLY 19 -5 SER 20 -4 HIS 21 -3 GLY 22 -2 SER 23 -1 HIS 24 0 MET 25 1 ASP 26 2 TYR 27 3 SER 28 4 LEU 29 5 LEU 30 6 PRO 31 7 LEU 32 8 LEU 33 9 ALA 34 10 ALA 35 11 ALA 36 12 PRO 37 13 GLN 38 14 VAL 39 15 GLY 40 16 GLU 41 17 LYS 42 18 ILE 43 19 ALA 44 20 PHE 45 21 LYS 46 22 LEU 47 23 LEU 48 24 GLU 49 25 LEU 50 26 THR 51 27 SER 52 28 SER 53 29 TYR 54 30 SER 55 31 PRO 56 32 ASP 57 33 VAL 58 34 SER 59 35 ASP 60 36 TYR 61 37 LYS 62 38 GLU 63 39 GLY 64 40 ARG 65 41 ILE 66 42 LEU 67 43 SER 68 44 HIS 69 45 ASN 70 46 PRO 71 47 GLU 72 48 THR 73 49 GLN 74 50 GLN 75 51 VAL 76 52 ASP 77 53 ILE 78 54 GLU 79 55 ILE 80 56 LEU 81 57 SER 82 58 SER 83 59 LEU 84 60 PRO 85 61 ALA 86 62 LEU 87 63 ARG 88 64 GLU 89 65 PRO 90 66 GLY 91 67 LYS 92 68 PHE 93 69 ASP 94 70 LEU 95 71 VAL 96 72 TYR 97 73 HIS 98 74 ASN 99 75 GLU 100 76 ASN 101 77 GLY 102 78 ALA 103 79 GLU 104 80 VAL 105 81 VAL 106 82 GLU 107 83 TYR 108 84 ALA 109 85 VAL 110 86 THR 111 87 GLN 112 88 GLU 113 89 SER 114 90 LYS 115 91 ILE 116 92 THR 117 93 VAL 118 94 PHE 119 95 TRP 120 96 LYS 121 97 GLU 122 98 LEU 123 99 ILE 124 100 ASP 125 101 PRO 126 102 ARG 127 103 LEU 128 104 ILE 129 105 ILE 130 106 GLU 131 107 SER 132 108 PRO 133 109 SER 134 110 ASN 135 111 THR 136 112 SER 137 113 SER 138 114 THR 139 115 GLU 140 116 PRO 141 117 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 DBJ BAE01330 "unnamed protein product [Macaca fascicularis]" 82.98 248 97.44 99.15 2.71e-74 DBJ BAG36378 "unnamed protein product [Homo sapiens]" 82.98 576 100.00 100.00 2.23e-73 GB AAA36412 "p80-coilin, partial [Homo sapiens]" 82.98 405 100.00 100.00 5.55e-75 GB AAB81550 "p80-coilin [Homo sapiens]" 82.98 576 100.00 100.00 2.23e-73 GB AAH10385 "Coilin [Homo sapiens]" 82.98 576 100.00 100.00 2.23e-73 GB ABM83853 "coilin [synthetic construct]" 82.98 576 100.00 100.00 2.23e-73 GB ABM87175 "coilin [synthetic construct]" 82.98 576 100.00 100.00 2.23e-73 REF NP_004636 "coilin [Homo sapiens]" 82.98 576 100.00 100.00 2.23e-73 REF XP_002827396 "PREDICTED: coilin [Pongo abelii]" 82.98 576 99.15 100.00 5.08e-73 REF XP_009431163 "PREDICTED: coilin isoform X2 [Pan troglodytes]" 69.50 547 97.96 98.98 2.60e-58 REF XP_511900 "PREDICTED: coilin isoform X1 [Pan troglodytes]" 82.98 576 100.00 100.00 1.92e-73 SP P38432 "RecName: Full=Coilin; AltName: Full=p80-coilin" 82.98 576 100.00 100.00 2.23e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $coilin Human 9606 Eukaryota Metazoa Homo sapiens coilin 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 _Details $coilin 'recombinant technology' . Escherichia coli BL21(DE3) pET28 'Nde/Xho restriction sites used' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $coilin . mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral restraints' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details 'equipped with salt tolerant cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_simultaneous_1H-13C-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 1H-13C-15N NOESY' _Sample_label $sample save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample save_ save_3D_aromatic_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic 1H-13C NOESY' _Sample_label $sample 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' 150 . mM pH 7.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 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_assignments_coilin _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name coilin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 25 ASP HA H 4.604 . 1 2 1 25 ASP HB2 H 2.765 . 2 3 1 25 ASP HB3 H 2.421 . 2 4 1 25 ASP C C 177.064 . 1 5 1 25 ASP CA C 52.566 . 1 6 1 25 ASP CB C 40.377 . 1 7 2 26 TYR H H 7.936 . 1 8 2 26 TYR HA H 3.865 . 1 9 2 26 TYR HB2 H 2.240 . 2 10 2 26 TYR HB3 H 2.090 . 2 11 2 26 TYR HD1 H 6.717 . 3 12 2 26 TYR HE1 H 6.651 . 3 13 2 26 TYR C C 176.529 . 1 14 2 26 TYR CA C 60.067 . 1 15 2 26 TYR CB C 37.564 . 1 16 2 26 TYR CD1 C 132.743 . 2 17 2 26 TYR CE1 C 117.982 . 2 18 2 26 TYR N N 124.324 . 1 19 3 27 SER H H 8.162 . 1 20 3 27 SER HA H 4.027 . 1 21 3 27 SER C C 175.318 . 1 22 3 27 SER CA C 61.004 . 1 23 3 27 SER CB C 62.879 . 1 24 3 27 SER N N 112.137 . 1 25 4 28 LEU H H 7.249 . 1 26 4 28 LEU HA H 4.376 . 1 27 4 28 LEU HB2 H 1.628 . 2 28 4 28 LEU HB3 H 1.530 . 2 29 4 28 LEU HD1 H 0.912 . 2 30 4 28 LEU HD2 H 0.779 . 2 31 4 28 LEU C C 177.654 . 1 32 4 28 LEU CA C 54.441 . 1 33 4 28 LEU CB C 42.252 . 1 34 4 28 LEU CD1 C 25.376 . 2 35 4 28 LEU CD2 C 22.010 . 1 36 4 28 LEU N N 119.873 . 1 37 5 29 LEU H H 7.383 . 1 38 5 29 LEU HA H 4.060 . 1 39 5 29 LEU HB2 H 1.740 . 2 40 5 29 LEU HB3 H 1.930 . 2 41 5 29 LEU HD1 H 0.940 . 2 42 5 29 LEU CA C 53.503 . 1 43 5 29 LEU CB C 40.377 . 1 44 5 29 LEU N N 121.281 . 1 45 9 33 ALA HA H 4.560 . 1 46 9 33 ALA HB H 1.452 . 1 47 9 33 ALA C C 176.147 . 1 48 9 33 ALA CA C 52.566 . 1 49 9 33 ALA CB C 19.750 . 1 50 10 34 ALA H H 7.592 . 1 51 10 34 ALA HA H 3.770 . 1 52 10 34 ALA HB H 1.080 . 1 53 10 34 ALA C C 174.590 . 1 54 10 34 ALA CA C 49.753 . 1 55 10 34 ALA CB C 21.626 . 1 56 10 34 ALA N N 119.766 . 1 57 11 35 ALA H H 7.311 . 1 58 11 35 ALA HA H 3.370 . 1 59 11 35 ALA HB H 0.140 . 1 60 11 35 ALA CA C 49.466 . 1 61 11 35 ALA CB C 16.400 . 1 62 11 35 ALA N N 122.123 . 1 63 12 36 PRO HA H 4.489 . 1 64 12 36 PRO HB2 H 2.232 . 2 65 12 36 PRO HB3 H 1.965 . 2 66 12 36 PRO HD2 H 2.814 . 2 67 12 36 PRO HD3 H 3.366 . 2 68 12 36 PRO HG2 H 1.630 . 2 69 12 36 PRO HG3 H 1.630 . 2 70 12 36 PRO C C 173.493 . 1 71 12 36 PRO CA C 61.004 . 1 72 12 36 PRO CB C 31.939 . 1 73 12 36 PRO CD C 49.753 . 1 74 12 36 PRO CG C 26.313 . 1 75 13 37 GLN H H 8.262 . 1 76 13 37 GLN HA H 4.032 . 1 77 13 37 GLN HB2 H 2.431 . 2 78 13 37 GLN HE21 H 6.720 . 2 79 13 37 GLN HE22 H 6.850 . 2 80 13 37 GLN C C 175.423 . 1 81 13 37 GLN CA C 55.379 . 1 82 13 37 GLN CB C 30.064 . 1 83 13 37 GLN CG C 33.814 . 1 84 13 37 GLN N N 114.690 . 1 85 13 37 GLN NE2 N 114.140 . 1 86 14 38 VAL H H 8.109 . 1 87 14 38 VAL HA H 3.264 . 1 88 14 38 VAL HB H 1.928 . 1 89 14 38 VAL HG1 H 0.897 . 2 90 14 38 VAL HG2 H 0.981 . 2 91 14 38 VAL C C 177.383 . 1 92 14 38 VAL CA C 65.692 . 1 93 14 38 VAL CB C 31.939 . 1 94 14 38 VAL CG1 C 21.626 . 2 95 14 38 VAL CG2 C 22.799 . 1 96 14 38 VAL N N 119.324 . 1 97 15 39 GLY H H 9.045 . 1 98 15 39 GLY HA2 H 4.496 . 2 99 15 39 GLY HA3 H 3.596 . 2 100 15 39 GLY C C 174.890 . 1 101 15 39 GLY CA C 45.065 . 1 102 15 39 GLY N N 115.925 . 1 103 16 40 GLU H H 7.808 . 1 104 16 40 GLU HA H 4.388 . 1 105 16 40 GLU HB2 H 2.289 . 2 106 16 40 GLU HB3 H 2.289 . 2 107 16 40 GLU HG2 H 1.990 . 2 108 16 40 GLU HG3 H 2.190 . 2 109 16 40 GLU C C 174.666 . 1 110 16 40 GLU CA C 56.316 . 1 111 16 40 GLU CB C 30.064 . 1 112 16 40 GLU CG C 37.564 . 1 113 16 40 GLU N N 120.034 . 1 114 17 41 LYS H H 9.101 . 1 115 17 41 LYS HA H 5.274 . 1 116 17 41 LYS HB2 H 1.560 . 2 117 17 41 LYS HB3 H 1.750 . 2 118 17 41 LYS HD2 H 0.900 . 2 119 17 41 LYS HD3 H 1.090 . 2 120 17 41 LYS HE2 H 2.852 . 2 121 17 41 LYS HE3 H 2.852 . 2 122 17 41 LYS HG2 H 1.290 . 2 123 17 41 LYS HG3 H 1.290 . 2 124 17 41 LYS C C 175.214 . 1 125 17 41 LYS CA C 55.379 . 1 126 17 41 LYS CB C 34.752 . 1 127 17 41 LYS CD C 25.376 . 1 128 17 41 LYS CE C 42.252 . 1 129 17 41 LYS CG C 30.064 . 1 130 17 41 LYS N N 122.136 . 1 131 18 42 ILE H H 9.108 . 1 132 18 42 ILE HA H 5.589 . 1 133 18 42 ILE HB H 1.982 . 1 134 18 42 ILE HD1 H 0.770 . 1 135 18 42 ILE HG2 H 0.633 . 2 136 18 42 ILE C C 173.727 . 1 137 18 42 ILE CA C 58.191 . 1 138 18 42 ILE CB C 43.190 . 1 139 18 42 ILE CD1 C 13.410 . 1 140 18 42 ILE CG1 C 25.376 . 2 141 18 42 ILE CG2 C 15.270 . 1 142 18 42 ILE N N 114.371 . 1 143 19 43 ALA H H 9.267 . 1 144 19 43 ALA HA H 5.775 . 1 145 19 43 ALA HB H 0.857 . 1 146 19 43 ALA C C 176.711 . 1 147 19 43 ALA CA C 48.969 . 1 148 19 43 ALA CB C 22.120 . 1 149 19 43 ALA N N 123.539 . 1 150 20 44 PHE H H 8.601 . 1 151 20 44 PHE HA H 4.945 . 1 152 20 44 PHE HB2 H 2.976 . 2 153 20 44 PHE HB3 H 2.677 . 2 154 20 44 PHE HD1 H 6.650 . 3 155 20 44 PHE HE1 H 6.749 . 2 156 20 44 PHE HZ H 6.825 . 1 157 20 44 PHE C C 171.677 . 1 158 20 44 PHE CA C 56.680 . 1 159 20 44 PHE CB C 40.762 . 1 160 20 44 PHE CD1 C 132.951 . 3 161 20 44 PHE CE1 C 129.216 . 2 162 20 44 PHE CZ C 129.111 . 1 163 20 44 PHE N N 115.623 . 1 164 21 45 LYS H H 8.440 . 1 165 21 45 LYS HA H 4.540 . 1 166 21 45 LYS HB2 H 1.550 . 2 167 21 45 LYS HG2 H 1.230 . 2 168 21 45 LYS CA C 54.441 . 1 169 21 45 LYS CB C 34.752 . 1 170 21 45 LYS N N 118.278 . 1 171 25 49 LEU HA H 4.412 . 1 172 25 49 LEU HB2 H 1.639 . 2 173 25 49 LEU HD1 H 0.848 . 2 174 25 49 LEU C C 177.523 . 1 175 25 49 LEU CA C 55.379 . 1 176 25 49 LEU CB C 42.252 . 1 177 26 50 THR H H 8.061 . 1 178 26 50 THR HA H 4.380 . 1 179 26 50 THR HG2 H 1.180 . 1 180 26 50 THR CA C 61.942 . 1 181 26 50 THR CB C 69.442 . 1 182 26 50 THR N N 113.435 . 1 183 29 53 TYR HB2 H 2.995 . 2 184 29 53 TYR CA C 58.191 . 1 185 29 53 TYR CB C 38.502 . 1 186 30 54 SER H H 7.969 . 1 187 30 54 SER HA H 4.480 . 1 188 30 54 SER HB2 H 3.770 . 2 189 30 54 SER HB3 H 3.770 . 2 190 30 54 SER CA C 55.379 . 1 191 30 54 SER CB C 63.817 . 1 192 30 54 SER N N 117.769 . 1 193 31 55 PRO HA H 4.396 . 1 194 31 55 PRO HB2 H 1.970 . 2 195 31 55 PRO HB3 H 2.235 . 2 196 31 55 PRO HD2 H 3.664 . 2 197 31 55 PRO HG2 H 1.776 . 2 198 31 55 PRO CA C 63.817 . 1 199 31 55 PRO CB C 31.939 . 1 200 32 56 ASP H H 8.299 . 1 201 32 56 ASP HA H 4.561 . 1 202 32 56 ASP HB2 H 2.540 . 2 203 32 56 ASP HB3 H 2.690 . 2 204 32 56 ASP CA C 54.441 . 1 205 32 56 ASP N N 118.821 . 1 206 33 57 VAL H H 7.843 . 1 207 33 57 VAL HA H 4.240 . 1 208 33 57 VAL HB H 2.090 . 1 209 33 57 VAL HG1 H 0.920 . 2 210 33 57 VAL HG2 H 0.890 . 2 211 33 57 VAL C C 176.019 . 1 212 33 57 VAL CA C 51.628 . 1 213 33 57 VAL CB C 32.877 . 1 214 33 57 VAL N N 118.317 . 1 215 34 58 SER H H 8.260 . 1 216 34 58 SER HA H 4.395 . 1 217 34 58 SER HB2 H 3.883 . 2 218 34 58 SER C C 173.717 . 1 219 34 58 SER CA C 58.191 . 1 220 34 58 SER CB C 64.754 . 1 221 34 58 SER N N 119.726 . 1 222 35 59 ASP H H 8.291 . 1 223 35 59 ASP HA H 4.650 . 1 224 35 59 ASP HB2 H 2.687 . 2 225 35 59 ASP HB3 H 2.512 . 2 226 35 59 ASP C C 175.775 . 1 227 35 59 ASP CA C 53.503 . 1 228 35 59 ASP CB C 42.252 . 1 229 35 59 ASP N N 121.636 . 1 230 36 60 TYR H H 8.227 . 1 231 36 60 TYR HA H 4.000 . 1 232 36 60 TYR HB2 H 2.120 . 2 233 36 60 TYR HB3 H 2.120 . 2 234 36 60 TYR HD1 H 6.778 . 3 235 36 60 TYR CA C 59.129 . 1 236 36 60 TYR CB C 39.440 . 1 237 36 60 TYR N N 118.561 . 1 238 37 61 LYS HA H 4.358 . 1 239 37 61 LYS HB2 H 1.985 . 2 240 37 61 LYS HG2 H 1.450 . 2 241 37 61 LYS C C 174.584 . 1 242 37 61 LYS CA C 53.503 . 1 243 37 61 LYS CB C 31.001 . 1 244 37 61 LYS CG C 34.752 . 1 245 38 62 GLU H H 8.476 . 1 246 38 62 GLU HA H 5.417 . 1 247 38 62 GLU HB2 H 2.337 . 2 248 38 62 GLU HB3 H 2.072 . 2 249 38 62 GLU C C 176.892 . 1 250 38 62 GLU CA C 54.441 . 1 251 38 62 GLU CB C 33.814 . 1 252 38 62 GLU CG C 36.627 . 1 253 38 62 GLU N N 116.738 . 1 254 39 63 GLY H H 9.462 . 1 255 39 63 GLY HA2 H 5.257 . 2 256 39 63 GLY HA3 H 3.685 . 2 257 39 63 GLY C C 170.628 . 1 258 39 63 GLY CA C 46.003 . 1 259 39 63 GLY N N 107.679 . 1 260 40 64 ARG H H 8.992 . 1 261 40 64 ARG HA H 4.761 . 1 262 40 64 ARG HB2 H 1.570 . 2 263 40 64 ARG HB3 H 1.340 . 2 264 40 64 ARG HD2 H 3.210 . 2 265 40 64 ARG HD3 H 3.210 . 2 266 40 64 ARG HG2 H 0.870 . 2 267 40 64 ARG HG3 H 0.870 . 2 268 40 64 ARG C C 176.709 . 1 269 40 64 ARG CA C 53.503 . 1 270 40 64 ARG CB C 33.814 . 1 271 40 64 ARG CD C 24.438 . 1 272 40 64 ARG CG C 27.251 . 1 273 40 64 ARG N N 120.020 . 1 274 41 65 ILE H H 8.673 . 1 275 41 65 ILE HA H 4.120 . 1 276 41 65 ILE HB H 2.220 . 1 277 41 65 ILE HD1 H 0.726 . 1 278 41 65 ILE HG12 H 1.287 . 9 279 41 65 ILE HG2 H 0.797 . 2 280 41 65 ILE C C 176.389 . 1 281 41 65 ILE CA C 60.067 . 1 282 41 65 ILE CB C 35.689 . 1 283 41 65 ILE CD1 C 10.550 . 1 284 41 65 ILE CG2 C 17.227 . 1 285 41 65 ILE N N 124.318 . 1 286 42 66 LEU H H 9.358 . 1 287 42 66 LEU HA H 4.486 . 1 288 42 66 LEU HB2 H 1.584 . 2 289 42 66 LEU HD1 H 0.730 . 2 290 42 66 LEU HD2 H 0.829 . 2 291 42 66 LEU C C 177.221 . 1 292 42 66 LEU CA C 55.379 . 1 293 42 66 LEU CB C 44.128 . 1 294 42 66 LEU CD1 C 26.313 . 2 295 42 66 LEU CD2 C 21.626 . 2 296 42 66 LEU N N 129.911 . 1 297 43 67 SER H H 7.643 . 1 298 43 67 SER HA H 4.100 . 1 299 43 67 SER HB2 H 3.810 . 2 300 43 67 SER HB3 H 3.810 . 2 301 43 67 SER CA C 57.254 . 1 302 43 67 SER CB C 63.817 . 1 303 43 67 SER N N 110.271 . 1 304 46 70 PRO HA H 4.115 . 1 305 46 70 PRO HB2 H 1.968 . 2 306 46 70 PRO HB3 H 2.130 . 2 307 46 70 PRO HD2 H 3.784 . 2 308 46 70 PRO C C 177.475 . 1 309 46 70 PRO CA C 63.817 . 1 310 46 70 PRO CB C 31.939 . 1 311 46 70 PRO CD C 50.691 . 1 312 46 70 PRO CG C 26.313 . 1 313 47 71 GLU H H 8.100 . 1 314 47 71 GLU HA H 4.235 . 1 315 47 71 GLU HB2 H 2.259 . 2 316 47 71 GLU HB3 H 2.140 . 2 317 47 71 GLU C C 178.155 . 1 318 47 71 GLU CA C 58.191 . 1 319 47 71 GLU CB C 30.064 . 1 320 47 71 GLU CG C 36.627 . 1 321 47 71 GLU N N 117.581 . 1 322 48 72 THR H H 7.229 . 1 323 48 72 THR HA H 4.430 . 1 324 48 72 THR HB H 4.070 . 1 325 48 72 THR HG2 H 1.150 . 1 326 48 72 THR C C 175.561 . 1 327 48 72 THR CA C 61.004 . 1 328 48 72 THR CB C 70.380 . 1 329 48 72 THR CG2 C 21.626 . 1 330 48 72 THR N N 106.531 . 1 331 49 73 GLN H H 8.382 . 1 332 49 73 GLN HA H 4.057 . 1 333 49 73 GLN HB2 H 2.427 . 2 334 49 73 GLN HB3 H 2.710 . 2 335 49 73 GLN C C 175.353 . 1 336 49 73 GLN CA C 57.254 . 1 337 49 73 GLN CB C 26.313 . 1 338 49 73 GLN CG C 33.814 . 1 339 49 73 GLN N N 114.076 . 1 340 50 74 GLN H H 7.621 . 1 341 50 74 GLN HA H 5.400 . 1 342 50 74 GLN HB2 H 1.670 . 2 343 50 74 GLN HB3 H 1.670 . 2 344 50 74 GLN HG2 H 1.340 . 2 345 50 74 GLN HG3 H 0.960 . 2 346 50 74 GLN C C 175.781 . 1 347 50 74 GLN CA C 55.379 . 1 348 50 74 GLN CB C 31.939 . 1 349 50 74 GLN CG C 34.752 . 1 350 50 74 GLN N N 117.784 . 1 351 51 75 VAL H H 9.289 . 1 352 51 75 VAL HA H 5.006 . 1 353 51 75 VAL HB H 2.150 . 1 354 51 75 VAL HG1 H 1.056 . 2 355 51 75 VAL HG2 H 0.970 . 2 356 51 75 VAL C C 173.486 . 1 357 51 75 VAL CA C 59.129 . 1 358 51 75 VAL CB C 35.689 . 1 359 51 75 VAL CG1 C 22.748 . 1 360 51 75 VAL N N 119.089 . 1 361 52 76 ASP H H 7.800 . 1 362 52 76 ASP HA H 5.735 . 1 363 52 76 ASP HB2 H 2.694 . 2 364 52 76 ASP HB3 H 2.241 . 2 365 52 76 ASP C C 175.990 . 1 366 52 76 ASP CA C 52.566 . 1 367 52 76 ASP CB C 42.252 . 1 368 52 76 ASP N N 121.417 . 1 369 53 77 ILE H H 9.385 . 1 370 53 77 ILE HA H 4.746 . 1 371 53 77 ILE HB H 1.420 . 1 372 53 77 ILE HD1 H 0.175 . 1 373 53 77 ILE HG12 H 0.970 . 1 374 53 77 ILE HG13 H 0.970 . 1 375 53 77 ILE HG2 H 0.617 . 2 376 53 77 ILE C C 174.593 . 1 377 53 77 ILE CA C 59.129 . 1 378 53 77 ILE CB C 42.252 . 1 379 53 77 ILE CD1 C 14.125 . 1 380 53 77 ILE CG1 C 28.189 . 2 381 53 77 ILE CG2 C 16.938 . 2 382 53 77 ILE N N 123.644 . 1 383 54 78 GLU H H 9.064 . 1 384 54 78 GLU HA H 4.793 . 1 385 54 78 GLU HB2 H 2.230 . 2 386 54 78 GLU HB3 H 2.020 . 2 387 54 78 GLU C C 175.627 . 1 388 54 78 GLU CA C 54.441 . 1 389 54 78 GLU CB C 31.939 . 1 390 54 78 GLU CG C 35.689 . 1 391 54 78 GLU N N 127.449 . 1 392 55 79 ILE H H 8.908 . 1 393 55 79 ILE HA H 4.350 . 1 394 55 79 ILE HB H 1.580 . 1 395 55 79 ILE HD1 H 0.850 . 1 396 55 79 ILE HG2 H 1.040 . 2 397 55 79 ILE CD1 C 11.420 . 1 398 55 79 ILE CG2 C 17.480 . 1 399 55 79 ILE N N 128.743 . 1 400 56 80 LEU HA H 4.580 . 1 401 56 80 LEU HB2 H 1.580 . 2 402 56 80 LEU HD1 H 0.892 . 2 403 56 80 LEU C C 177.218 . 1 404 56 80 LEU CA C 54.441 . 1 405 56 80 LEU CB C 42.252 . 1 406 56 80 LEU CD1 C 25.376 . 2 407 57 81 SER H H 8.129 . 1 408 57 81 SER HA H 4.529 . 1 409 57 81 SER HB2 H 3.990 . 2 410 57 81 SER HB3 H 3.790 . 2 411 57 81 SER C C 174.238 . 1 412 57 81 SER CA C 58.191 . 1 413 57 81 SER CB C 63.817 . 1 414 57 81 SER N N 115.009 . 1 415 58 82 SER H H 8.387 . 1 416 58 82 SER HA H 4.520 . 1 417 58 82 SER HB2 H 3.830 . 2 418 58 82 SER HB3 H 3.830 . 2 419 58 82 SER CA C 58.191 . 1 420 58 82 SER CB C 63.817 . 1 421 58 82 SER N N 117.345 . 1 422 60 84 PRO C C 175.253 . 1 423 60 84 PRO CA C 62.879 . 1 424 60 84 PRO CB C 33.814 . 1 425 60 84 PRO CD C 49.753 . 1 426 60 84 PRO CG C 24.438 . 1 427 61 85 ALA H H 8.249 . 1 428 61 85 ALA HA H 4.100 . 1 429 61 85 ALA HB H 0.830 . 1 430 61 85 ALA CA C 53.900 . 1 431 61 85 ALA CB C 20.080 . 1 432 61 85 ALA N N 131.151 . 1 433 66 90 GLY HA2 H 3.896 . 2 434 66 90 GLY HA3 H 3.011 . 2 435 66 90 GLY C C 174.212 . 1 436 66 90 GLY CA C 45.065 . 1 437 67 91 LYS H H 7.950 . 1 438 67 91 LYS HA H 4.210 . 1 439 67 91 LYS HB2 H 1.570 . 2 440 67 91 LYS HE2 H 2.869 . 2 441 67 91 LYS HG2 H 1.160 . 2 442 67 91 LYS CA C 56.316 . 1 443 67 91 LYS CB C 32.877 . 1 444 67 91 LYS CD C 24.438 . 1 445 67 91 LYS CE C 42.252 . 1 446 67 91 LYS CG C 29.126 . 1 447 67 91 LYS N N 120.330 . 1 448 68 92 PHE H H 8.260 . 1 449 68 92 PHE CA C 57.254 . 1 450 68 92 PHE CB C 39.440 . 1 451 68 92 PHE N N 119.726 . 1 452 72 96 TYR HA H 5.346 . 1 453 72 96 TYR HB2 H 1.883 . 2 454 72 96 TYR HB3 H 1.571 . 2 455 72 96 TYR C C 177.420 . 1 456 72 96 TYR CA C 62.879 . 1 457 72 96 TYR CB C 31.939 . 1 458 73 97 HIS H H 9.492 . 1 459 73 97 HIS HB2 H 3.020 . 2 460 73 97 HIS HB3 H 3.020 . 2 461 73 97 HIS CA C 52.566 . 1 462 73 97 HIS CB C 35.689 . 1 463 73 97 HIS N N 121.068 . 1 464 76 100 ASN HA H 4.716 . 1 465 76 100 ASN HB2 H 2.792 . 2 466 76 100 ASN HB3 H 2.792 . 2 467 76 100 ASN C C 175.707 . 1 468 76 100 ASN CA C 53.503 . 1 469 76 100 ASN CB C 38.502 . 1 470 77 101 GLY H H 8.283 . 1 471 77 101 GLY HA2 H 3.840 . 2 472 77 101 GLY HA3 H 4.000 . 2 473 77 101 GLY C C 173.699 . 1 474 77 101 GLY CA C 45.065 . 1 475 77 101 GLY N N 109.225 . 1 476 78 102 ALA H H 8.031 . 1 477 78 102 ALA HA H 4.340 . 1 478 78 102 ALA HB H 1.310 . 1 479 78 102 ALA C C 177.357 . 1 480 78 102 ALA CA C 52.566 . 1 481 78 102 ALA CB C 19.690 . 1 482 78 102 ALA N N 123.489 . 1 483 79 103 GLU H H 8.412 . 1 484 79 103 GLU HA H 4.267 . 1 485 79 103 GLU HB2 H 2.162 . 2 486 79 103 GLU C C 176.179 . 1 487 79 103 GLU CA C 56.316 . 1 488 79 103 GLU CB C 30.064 . 1 489 79 103 GLU CG C 36.627 . 1 490 79 103 GLU N N 120.347 . 1 491 80 104 VAL H H 8.309 . 1 492 80 104 VAL HA H 4.090 . 1 493 80 104 VAL HB H 1.882 . 1 494 80 104 VAL HG1 H 0.820 . 2 495 80 104 VAL HG2 H 0.710 . 2 496 80 104 VAL C C 175.561 . 1 497 80 104 VAL CA C 61.942 . 1 498 80 104 VAL CB C 32.877 . 1 499 80 104 VAL CG1 C 20.688 . 2 500 80 104 VAL CG2 C 20.850 . 1 501 80 104 VAL N N 123.054 . 1 502 81 105 VAL H H 8.201 . 1 503 81 105 VAL HA H 4.135 . 1 504 81 105 VAL HB H 1.891 . 1 505 81 105 VAL HG1 H 0.820 . 2 506 81 105 VAL C C 175.568 . 1 507 81 105 VAL CA C 61.942 . 1 508 81 105 VAL CB C 32.877 . 1 509 81 105 VAL CG1 C 20.688 . 2 510 81 105 VAL N N 124.727 . 1 511 82 106 GLU H H 8.456 . 1 512 82 106 GLU HA H 4.301 . 1 513 82 106 GLU HB2 H 2.132 . 2 514 82 106 GLU C C 175.654 . 1 515 82 106 GLU CA C 61.942 . 1 516 82 106 GLU CB C 31.001 . 1 517 82 106 GLU N N 124.999 . 1 518 83 107 TYR H H 8.235 . 1 519 83 107 TYR HA H 4.550 . 1 520 83 107 TYR HB2 H 2.980 . 2 521 83 107 TYR HB3 H 2.862 . 2 522 83 107 TYR HD1 H 7.046 . 3 523 83 107 TYR HE1 H 6.758 . 2 524 83 107 TYR C C 175.241 . 1 525 83 107 TYR CA C 57.254 . 1 526 83 107 TYR CB C 39.440 . 1 527 83 107 TYR CE1 C 118.181 . 2 528 83 107 TYR N N 121.983 . 1 529 84 108 ALA H H 8.337 . 1 530 84 108 ALA HA H 4.350 . 1 531 84 108 ALA HB H 1.307 . 1 532 84 108 ALA C C 177.210 . 1 533 84 108 ALA CA C 52.566 . 1 534 84 108 ALA CB C 19.750 . 1 535 84 108 ALA N N 125.909 . 1 536 85 109 VAL H H 8.182 . 1 537 85 109 VAL HA H 4.161 . 1 538 85 109 VAL HB H 1.989 . 1 539 85 109 VAL HG1 H 0.860 . 2 540 85 109 VAL C C 176.353 . 1 541 85 109 VAL CA C 61.942 . 1 542 85 109 VAL CB C 32.877 . 1 543 85 109 VAL CG1 C 20.670 . 1 544 85 109 VAL N N 119.743 . 1 545 86 110 THR H H 8.285 . 1 546 86 110 THR HA H 4.390 . 1 547 86 110 THR HG2 H 1.187 . 1 548 86 110 THR C C 174.368 . 1 549 86 110 THR CA C 61.942 . 1 550 86 110 THR CB C 69.442 . 1 551 86 110 THR CG2 C 21.626 . 1 552 86 110 THR N N 118.383 . 1 553 87 111 GLN H H 66.542 . 1 554 87 111 GLN CA C 54.441 . 1 555 87 111 GLN CB C 30.064 . 1 556 88 112 GLU HA H 4.385 . 1 557 88 112 GLU HB2 H 2.272 . 2 558 88 112 GLU C C 176.355 . 1 559 88 112 GLU CA C 56.316 . 1 560 88 112 GLU CB C 30.064 . 1 561 88 112 GLU CG C 36.627 . 1 562 89 113 SER H H 8.615 . 1 563 89 113 SER HA H 4.556 . 1 564 89 113 SER HB2 H 3.952 . 2 565 89 113 SER HB3 H 3.952 . 2 566 89 113 SER C C 172.892 . 1 567 89 113 SER CA C 58.191 . 1 568 89 113 SER CB C 63.817 . 1 569 89 113 SER N N 117.158 . 1 570 90 114 LYS H H 7.948 . 1 571 90 114 LYS HB2 H 2.040 . 2 572 90 114 LYS HB3 H 2.270 . 2 573 90 114 LYS HD2 H 0.850 . 2 574 90 114 LYS HG2 H 1.220 . 2 575 90 114 LYS HG3 H 1.620 . 2 576 90 114 LYS C C 175.636 . 1 577 90 114 LYS CA C 55.379 . 1 578 90 114 LYS CB C 34.752 . 1 579 90 114 LYS CD C 24.000 . 1 580 90 114 LYS CE C 42.252 . 1 581 90 114 LYS CG C 29.126 . 1 582 90 114 LYS N N 122.248 . 1 583 91 115 ILE H H 8.916 . 1 584 91 115 ILE HA H 5.420 . 1 585 91 115 ILE HB H 2.781 . 1 586 91 115 ILE HD1 H 0.680 . 1 587 91 115 ILE HG2 H 1.504 . 4 588 91 115 ILE C C 173.949 . 1 589 91 115 ILE CA C 60.067 . 1 590 91 115 ILE CB C 42.252 . 1 591 91 115 ILE CD1 C 13.650 . 1 592 91 115 ILE CG1 C 25.376 . 2 593 91 115 ILE CG2 C 19.750 . 2 594 91 115 ILE N N 117.923 . 1 595 92 116 THR H H 8.426 . 1 596 92 116 THR HA H 5.300 . 1 597 92 116 THR HG2 H 0.956 . 1 598 92 116 THR C C 174.416 . 1 599 92 116 THR CA C 61.942 . 1 600 92 116 THR CB C 70.380 . 1 601 92 116 THR CG2 C 21.110 . 1 602 92 116 THR N N 121.178 . 1 603 93 117 VAL H H 8.674 . 1 604 93 117 VAL HA H 4.717 . 1 605 93 117 VAL HB H 2.157 . 1 606 93 117 VAL HG1 H 0.701 . 2 607 93 117 VAL HG2 H 0.444 . 4 608 93 117 VAL C C 175.580 . 1 609 93 117 VAL CA C 58.191 . 1 610 93 117 VAL CB C 35.689 . 1 611 93 117 VAL CG1 C 22.107 . 1 612 93 117 VAL CG2 C 18.340 . 1 613 93 117 VAL N N 119.086 . 1 614 94 118 PHE H H 8.921 . 1 615 94 118 PHE HA H 4.936 . 1 616 94 118 PHE HB2 H 3.392 . 2 617 94 118 PHE HB3 H 2.848 . 2 618 94 118 PHE HD1 H 7.450 . 3 619 94 118 PHE C C 177.696 . 1 620 94 118 PHE CA C 58.610 . 1 621 94 118 PHE CB C 39.440 . 1 622 94 118 PHE CD1 C 132.173 . 3 623 94 118 PHE N N 119.675 . 1 624 95 119 TRP H H 9.144 . 1 625 95 119 TRP HA H 4.890 . 1 626 95 119 TRP HB2 H 4.015 . 2 627 95 119 TRP HB3 H 3.376 . 2 628 95 119 TRP HD1 H 7.090 . 1 629 95 119 TRP HE1 H 9.475 . 2 630 95 119 TRP HE3 H 7.220 . 3 631 95 119 TRP HH2 H 6.752 . 1 632 95 119 TRP HZ2 H 7.014 . 2 633 95 119 TRP HZ3 H 6.563 . 2 634 95 119 TRP C C 177.851 . 1 635 95 119 TRP CA C 60.840 . 1 636 95 119 TRP CB C 29.400 . 1 637 95 119 TRP CD1 C 127.113 . 2 638 95 119 TRP CE3 C 120.420 . 3 639 95 119 TRP CH2 C 122.877 . 1 640 95 119 TRP CZ2 C 114.830 . 2 641 95 119 TRP CZ3 C 120.422 . 2 642 95 119 TRP N N 125.052 . 1 643 95 119 TRP NE1 N 127.980 . 1 644 96 120 LYS H H 8.732 . 1 645 96 120 LYS HA H 4.120 . 1 646 96 120 LYS HB2 H 1.918 . 2 647 96 120 LYS HD2 H 1.391 . 2 648 96 120 LYS HD3 H 1.430 . 2 649 96 120 LYS HG2 H 1.653 . 2 650 96 120 LYS C C 176.638 . 1 651 96 120 LYS CA C 57.254 . 1 652 96 120 LYS CB C 31.939 . 1 653 96 120 LYS CD C 24.438 . 1 654 96 120 LYS CE C 42.252 . 1 655 96 120 LYS CG C 29.126 . 1 656 96 120 LYS N N 113.095 . 1 657 97 121 GLU H H 8.063 . 1 658 97 121 GLU HA H 4.096 . 1 659 97 121 GLU HB2 H 2.260 . 2 660 97 121 GLU HB3 H 2.160 . 2 661 97 121 GLU HG2 H 2.340 . 2 662 97 121 GLU HG3 H 2.340 . 2 663 97 121 GLU C C 176.578 . 1 664 97 121 GLU CA C 57.254 . 1 665 97 121 GLU CB C 30.064 . 1 666 97 121 GLU CG C 38.502 . 1 667 97 121 GLU N N 118.514 . 1 668 98 122 LEU H H 7.130 . 1 669 98 122 LEU HA H 4.110 . 1 670 98 122 LEU HB2 H 1.130 . 2 671 98 122 LEU HB3 H 0.555 . 2 672 98 122 LEU HD1 H 0.010 . 4 673 98 122 LEU HD2 H -0.272 . 4 674 98 122 LEU C C 176.185 . 1 675 98 122 LEU CA C 54.441 . 1 676 98 122 LEU CB C 41.315 . 1 677 98 122 LEU CD1 C 22.563 . 1 678 98 122 LEU CD2 C 25.376 . 1 679 98 122 LEU N N 117.060 . 1 680 99 123 ILE H H 8.784 . 1 681 99 123 ILE HA H 3.965 . 1 682 99 123 ILE HB H 1.543 . 1 683 99 123 ILE HD1 H 0.680 . 1 684 99 123 ILE HG2 H 0.749 . 2 685 99 123 ILE C C 174.405 . 1 686 99 123 ILE CA C 60.067 . 1 687 99 123 ILE CB C 37.564 . 1 688 99 123 ILE CD1 C 12.250 . 1 689 99 123 ILE CG1 C 27.251 . 2 690 99 123 ILE CG2 C 16.938 . 2 691 99 123 ILE N N 125.602 . 1 692 100 124 ASP H H 8.764 . 1 693 100 124 ASP HA H 4.240 . 1 694 100 124 ASP HB2 H 3.060 . 2 695 100 124 ASP HB3 H 3.660 . 2 696 100 124 ASP CA C 54.441 . 1 697 100 124 ASP CB C 41.315 . 1 698 100 124 ASP N N 124.213 . 1 699 101 125 PRO HA H 4.376 . 1 700 101 125 PRO HB2 H 2.718 . 2 701 101 125 PRO HD2 H 3.611 . 2 702 101 125 PRO HD3 H 3.787 . 2 703 101 125 PRO HG2 H 1.908 . 2 704 101 125 PRO C C 176.812 . 1 705 101 125 PRO CA C 62.879 . 1 706 101 125 PRO CB C 31.939 . 1 707 101 125 PRO CD C 50.691 . 1 708 101 125 PRO CG C 27.251 . 1 709 102 126 ARG H H 8.512 . 1 710 102 126 ARG HA H 4.360 . 1 711 102 126 ARG HB2 H 1.820 . 2 712 102 126 ARG HB3 H 1.820 . 2 713 102 126 ARG CA C 56.316 . 1 714 102 126 ARG CB C 31.001 . 1 715 102 126 ARG N N 121.996 . 1 716 103 127 LEU HA H 4.031 . 1 717 103 127 LEU HB2 H 1.662 . 2 718 103 127 LEU HD1 H 0.780 . 4 719 103 127 LEU CA C 61.942 . 1 720 103 127 LEU CB C 36.627 . 1 721 103 127 LEU CD1 C 17.875 . 2 722 103 127 LEU CD2 C 13.187 . 2 723 103 127 LEU CG C 28.189 . 1 724 104 128 ILE H H 7.404 . 1 725 104 128 ILE HA H 4.267 . 1 726 104 128 ILE HB H 1.802 . 1 727 104 128 ILE HD1 H 0.900 . 1 728 104 128 ILE HG12 H 1.463 . 9 729 104 128 ILE HG2 H 0.908 . 2 730 104 128 ILE C C 175.027 . 1 731 104 128 ILE CA C 61.004 . 1 732 104 128 ILE CB C 39.440 . 1 733 104 128 ILE CD1 C 13.180 . 1 734 104 128 ILE CG1 C 27.251 . 2 735 104 128 ILE CG2 C 17.380 . 1 736 104 128 ILE N N 126.363 . 1 737 105 129 ILE H H 8.717 . 1 738 105 129 ILE HA H 4.260 . 1 739 105 129 ILE HB H 1.920 . 1 740 105 129 ILE HD1 H 0.820 . 1 741 105 129 ILE HG2 H 0.833 . 2 742 105 129 ILE C C 175.983 . 1 743 105 129 ILE CA C 56.316 . 1 744 105 129 ILE CB C 31.001 . 1 745 105 129 ILE CD1 C 12.610 . 1 746 105 129 ILE CG2 C 17.244 . 1 747 105 129 ILE N N 126.023 . 1 748 106 130 GLU H H 8.717 . 1 749 106 130 GLU N N 126.023 . 1 750 116 140 PRO HA H 4.374 . 1 751 116 140 PRO HB2 H 2.256 . 2 752 116 140 PRO HD2 H 3.742 . 2 753 116 140 PRO HG2 H 1.989 . 2 754 116 140 PRO C C 175.718 . 1 755 116 140 PRO CA C 62.879 . 1 756 116 140 PRO CB C 31.939 . 1 757 116 140 PRO CD C 50.691 . 1 758 116 140 PRO CG C 27.251 . 1 759 117 141 ALA H H 69.229 . 1 760 117 141 ALA CA C 53.503 . 1 761 117 141 ALA CB C 20.688 . 1 stop_ save_