data_16297 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AIDA-1 SAM domain tandem ; _BMRB_accession_number 16297 _BMRB_flat_file_name bmr16297.str _Entry_type original _Submission_date 2009-05-12 _Accession_date 2009-05-12 _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 W. . 2 Kurabi Arwa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 615 "13C chemical shifts" 501 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-10-16 update BMRB 'complete entry citation' 2009-09-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Nuclear Localization Signal at the SAM-SAM Domain Interface of AIDA-1 Suggests a Requirement for Domain Uncoupling Prior to Nuclear Import' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19666031 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kurabi Arwa . . 2 Brener Stacey . . 3 Mobli Mehdi . . 4 Kwan Jamie J. . 5 Donaldson Logan W. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 392 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1168 _Page_last 1177 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AIDA-1 SAM domain tandem' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AIDA-1 SAM domain' $AIDA-1 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_AIDA-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'AIDA-1 SAM domain' _Name_variant . _Abbreviation_common . _Molecular_mass 15101.473 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MHHHHHHLVPRGSVQTVGQW LESIGLPQYENHLMANGFDN VQAMGSNVMEDQDLLEIGIL NSGHRQRILQAIQLLPKMRP IGHDGAHPTSVAEWLDSIEL GDYTKAFLINGYTSMDLLKK IAEVELINVLKINLIGHRKR ILASLGDR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 VAL 10 PRO 11 ARG 12 GLY 13 SER 14 VAL 15 GLN 16 THR 17 VAL 18 GLY 19 GLN 20 TRP 21 LEU 22 GLU 23 SER 24 ILE 25 GLY 26 LEU 27 PRO 28 GLN 29 TYR 30 GLU 31 ASN 32 HIS 33 LEU 34 MET 35 ALA 36 ASN 37 GLY 38 PHE 39 ASP 40 ASN 41 VAL 42 GLN 43 ALA 44 MET 45 GLY 46 SER 47 ASN 48 VAL 49 MET 50 GLU 51 ASP 52 GLN 53 ASP 54 LEU 55 LEU 56 GLU 57 ILE 58 GLY 59 ILE 60 LEU 61 ASN 62 SER 63 GLY 64 HIS 65 ARG 66 GLN 67 ARG 68 ILE 69 LEU 70 GLN 71 ALA 72 ILE 73 GLN 74 LEU 75 LEU 76 PRO 77 LYS 78 MET 79 ARG 80 PRO 81 ILE 82 GLY 83 HIS 84 ASP 85 GLY 86 ALA 87 HIS 88 PRO 89 THR 90 SER 91 VAL 92 ALA 93 GLU 94 TRP 95 LEU 96 ASP 97 SER 98 ILE 99 GLU 100 LEU 101 GLY 102 ASP 103 TYR 104 THR 105 LYS 106 ALA 107 PHE 108 LEU 109 ILE 110 ASN 111 GLY 112 TYR 113 THR 114 SER 115 MET 116 ASP 117 LEU 118 LEU 119 LYS 120 LYS 121 ILE 122 ALA 123 GLU 124 VAL 125 GLU 126 LEU 127 ILE 128 ASN 129 VAL 130 LEU 131 LYS 132 ILE 133 ASN 134 LEU 135 ILE 136 GLY 137 HIS 138 ARG 139 LYS 140 ARG 141 ILE 142 LEU 143 ALA 144 SER 145 LEU 146 GLY 147 ASP 148 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2KIV "Aida-1 Sam Domain Tandem" 100.00 148 100.00 100.00 5.98e-102 GB AIC60436 "ANKS1B, partial [synthetic construct]" 67.57 438 98.00 98.00 1.86e-58 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 $AIDA-1 Human 9606 Eukaryota Metazoa Homo sapiens AIDA-1b stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $AIDA-1 'recombinant technology' . Escherichia coli . BL21:DE3 pJexpress401 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 $AIDA-1 1.1 mM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' 'sodium phosphate' 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 600 _Details 'equipped with salt tolerant cold probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 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' 0.05 . M 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_aida6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CYANA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HN(CO)CA' '3D HNCO' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AIDA-1 SAM domain' _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 14 VAL HA H 4.140 . 1 2 1 14 VAL HB H 2.076 . 1 3 1 14 VAL HG1 H 0.930 . 2 4 1 14 VAL HG2 H 0.915 . 2 5 1 14 VAL C C 175.758 . 1 6 1 14 VAL CA C 62.070 . 1 7 1 14 VAL CB C 32.821 . 1 8 1 14 VAL CG1 C 21.240 . 1 9 1 14 VAL CG2 C 20.450 . 1 10 2 15 GLN H H 8.439 . 1 11 2 15 GLN HA H 4.594 . 1 12 2 15 GLN HB2 H 2.040 . 2 13 2 15 GLN HB3 H 2.180 . 2 14 2 15 GLN HG2 H 2.420 . 2 15 2 15 GLN HG3 H 2.420 . 2 16 2 15 GLN C C 175.972 . 1 17 2 15 GLN CA C 56.260 . 1 18 2 15 GLN CB C 30.945 . 1 19 2 15 GLN CG C 34.696 . 1 20 2 15 GLN N N 124.997 . 1 21 3 16 THR H H 8.347 . 1 22 3 16 THR HA H 4.555 . 1 23 3 16 THR HB H 4.810 . 1 24 3 16 THR HG2 H 1.307 . 1 25 3 16 THR C C 175.495 . 1 26 3 16 THR CA C 60.010 . 1 27 3 16 THR CB C 71.261 . 1 28 3 16 THR N N 113.011 . 1 29 4 17 VAL H H 8.895 . 1 30 4 17 VAL HA H 3.670 . 1 31 4 17 VAL HB H 2.270 . 1 32 4 17 VAL HG1 H 1.123 . 2 33 4 17 VAL HG2 H 1.030 . 2 34 4 17 VAL C C 178.449 . 1 35 4 17 VAL CA C 67.511 . 1 36 4 17 VAL CB C 31.883 . 1 37 4 17 VAL CG1 C 21.960 . 1 38 4 17 VAL CG2 C 23.770 . 1 39 4 17 VAL N N 121.854 . 1 40 5 18 GLY H H 9.017 . 1 41 5 18 GLY HA2 H 3.940 . 2 42 5 18 GLY HA3 H 3.610 . 2 43 5 18 GLY C C 176.186 . 1 44 5 18 GLY CA C 47.822 . 1 45 5 18 GLY N N 106.966 . 1 46 6 19 GLN H H 8.072 . 1 47 6 19 GLN HA H 4.037 . 1 48 6 19 GLN HB2 H 2.080 . 2 49 6 19 GLN HB3 H 2.370 . 2 50 6 19 GLN HG2 H 2.530 . 2 51 6 19 GLN HG3 H 2.420 . 2 52 6 19 GLN C C 179.488 . 1 53 6 19 GLN CA C 59.073 . 1 54 6 19 GLN CB C 28.489 . 1 55 6 19 GLN CG C 34.366 . 1 56 6 19 GLN N N 122.431 . 1 57 7 20 TRP H H 8.756 . 1 58 7 20 TRP HA H 4.160 . 1 59 7 20 TRP HB2 H 3.530 . 2 60 7 20 TRP HB3 H 3.080 . 2 61 7 20 TRP HD1 H 6.930 . 1 62 7 20 TRP HE1 H 10.295 . 1 63 7 20 TRP HE3 H 7.428 . 1 64 7 20 TRP HH2 H 6.898 . 1 65 7 20 TRP HZ2 H 6.945 . 1 66 7 20 TRP HZ3 H 6.598 . 1 67 7 20 TRP C C 179.620 . 1 68 7 20 TRP CA C 61.886 . 1 69 7 20 TRP CB C 28.133 . 1 70 7 20 TRP CD1 C 125.690 . 1 71 7 20 TRP CE3 C 119.144 . 1 72 7 20 TRP CH2 C 123.510 . 1 73 7 20 TRP CZ2 C 113.885 . 1 74 7 20 TRP CZ3 C 120.885 . 1 75 7 20 TRP N N 124.265 . 1 76 7 20 TRP NE1 N 129.832 . 1 77 8 21 LEU H H 9.148 . 1 78 8 21 LEU HA H 3.440 . 1 79 8 21 LEU HB2 H 1.840 . 2 80 8 21 LEU HB3 H 1.840 . 2 81 8 21 LEU HD1 H 0.639 . 2 82 8 21 LEU HD2 H 0.889 . 2 83 8 21 LEU C C 180.521 . 1 84 8 21 LEU CA C 56.920 . 1 85 8 21 LEU CB C 41.700 . 1 86 8 21 LEU CD1 C 21.440 . 1 87 8 21 LEU CD2 C 26.780 . 1 88 8 21 LEU N N 120.548 . 1 89 9 22 GLU H H 8.284 . 1 90 9 22 GLU HA H 3.740 . 1 91 9 22 GLU HB2 H 2.170 . 2 92 9 22 GLU HB3 H 2.170 . 2 93 9 22 GLU HG2 H 2.260 . 2 94 9 22 GLU HG3 H 2.180 . 2 95 9 22 GLU C C 179.960 . 1 96 9 22 GLU CA C 60.010 . 1 97 9 22 GLU CB C 29.070 . 1 98 9 22 GLU CG C 36.040 . 1 99 9 22 GLU N N 120.133 . 1 100 10 23 SER H H 7.891 . 1 101 10 23 SER HA H 4.250 . 1 102 10 23 SER HB2 H 3.990 . 2 103 10 23 SER HB3 H 3.990 . 2 104 10 23 SER C C 175.346 . 1 105 10 23 SER CA C 60.948 . 1 106 10 23 SER CB C 63.280 . 1 107 10 23 SER N N 117.044 . 1 108 11 24 ILE H H 6.862 . 1 109 11 24 ILE HA H 4.487 . 1 110 11 24 ILE HB H 1.812 . 1 111 11 24 ILE HD1 H 0.065 . 1 112 11 24 ILE HG12 H 0.633 . 1 113 11 24 ILE HG13 H 0.862 . 1 114 11 24 ILE HG2 H 0.380 . 1 115 11 24 ILE C C 175.812 . 1 116 11 24 ILE CA C 60.948 . 1 117 11 24 ILE CB C 38.250 . 1 118 11 24 ILE CD1 C 14.820 . 1 119 11 24 ILE CG1 C 26.200 . 1 120 11 24 ILE CG2 C 16.730 . 1 121 11 24 ILE N N 113.733 . 1 122 12 25 GLY H H 7.628 . 1 123 12 25 GLY HA2 H 3.990 . 2 124 12 25 GLY HA3 H 3.800 . 2 125 12 25 GLY C C 173.647 . 1 126 12 25 GLY CA C 45.947 . 1 127 12 25 GLY N N 109.763 . 1 128 13 26 LEU H H 7.620 . 1 129 13 26 LEU C C 176.186 . 1 130 13 26 LEU CA C 52.700 . 1 131 13 26 LEU CB C 43.134 . 1 132 13 26 LEU N N 118.778 . 1 133 14 27 PRO HA H 4.120 . 1 134 14 27 PRO HB2 H 1.900 . 2 135 14 27 PRO HB3 H 2.070 . 2 136 14 27 PRO C C 177.955 . 1 137 14 27 PRO CA C 64.698 . 1 138 14 27 PRO CB C 31.883 . 1 139 14 27 PRO CG C 27.195 . 1 140 15 28 GLN H H 9.838 . 1 141 15 28 GLN HA H 4.240 . 1 142 15 28 GLN HB2 H 1.720 . 2 143 15 28 GLN HB3 H 1.940 . 2 144 15 28 GLN C C 176.836 . 1 145 15 28 GLN CA C 58.135 . 1 146 15 28 GLN CB C 27.195 . 1 147 15 28 GLN CG C 30.945 . 1 148 15 28 GLN N N 120.414 . 1 149 16 29 TYR H H 6.810 . 1 150 16 29 TYR HA H 5.720 . 1 151 16 29 TYR HB2 H 3.340 . 2 152 16 29 TYR HB3 H 2.310 . 2 153 16 29 TYR HD1 H 6.268 . 3 154 16 29 TYR HE1 H 6.630 . 3 155 16 29 TYR C C 174.814 . 1 156 16 29 TYR CA C 57.198 . 1 157 16 29 TYR CB C 37.509 . 1 158 16 29 TYR CD1 C 132.261 . 1 159 16 29 TYR CE1 C 117.870 . 1 160 16 29 TYR N N 119.718 . 1 161 17 30 GLU H H 7.509 . 1 162 17 30 GLU HA H 3.650 . 1 163 17 30 GLU HB2 H 2.147 . 2 164 17 30 GLU HB3 H 2.147 . 2 165 17 30 GLU HG2 H 2.240 . 2 166 17 30 GLU C C 177.552 . 1 167 17 30 GLU CA C 60.948 . 1 168 17 30 GLU CB C 30.008 . 1 169 17 30 GLU CG C 35.633 . 1 170 17 30 GLU N N 122.417 . 1 171 18 31 ASN H H 9.259 . 1 172 18 31 ASN HA H 4.451 . 1 173 18 31 ASN HB2 H 2.820 . 2 174 18 31 ASN HB3 H 2.690 . 2 175 18 31 ASN C C 176.868 . 1 176 18 31 ASN CA C 57.198 . 1 177 18 31 ASN CB C 38.446 . 1 178 18 31 ASN N N 116.613 . 1 179 19 32 HIS H H 8.898 . 1 180 19 32 HIS HA H 4.140 . 1 181 19 32 HIS HB2 H 3.230 . 2 182 19 32 HIS HB3 H 3.060 . 2 183 19 32 HIS HD2 H 7.293 . 1 184 19 32 HIS C C 178.269 . 1 185 19 32 HIS CA C 60.948 . 1 186 19 32 HIS CB C 30.008 . 1 187 19 32 HIS CD2 C 117.550 . 1 188 19 32 HIS N N 118.926 . 1 189 20 33 LEU H H 7.825 . 1 190 20 33 LEU HA H 4.305 . 1 191 20 33 LEU HB2 H 2.600 . 2 192 20 33 LEU HB3 H 2.600 . 2 193 20 33 LEU HD1 H 0.995 . 2 194 20 33 LEU HD2 H 0.980 . 2 195 20 33 LEU HG H 1.720 . 1 196 20 33 LEU C C 179.190 . 1 197 20 33 LEU CA C 60.010 . 1 198 20 33 LEU CB C 40.321 . 1 199 20 33 LEU CD1 C 25.960 . 1 200 20 33 LEU CD2 C 25.960 . 1 201 20 33 LEU CG C 30.650 . 1 202 20 33 LEU N N 117.434 . 1 203 21 34 MET H H 8.861 . 1 204 21 34 MET HA H 3.980 . 1 205 21 34 MET HB2 H 2.180 . 2 206 21 34 MET HB3 H 2.320 . 2 207 21 34 MET HE H 2.240 . 1 208 21 34 MET HG2 H 2.176 . 2 209 21 34 MET HG3 H 1.971 . 2 210 21 34 MET C C 180.340 . 1 211 21 34 MET CA C 58.135 . 1 212 21 34 MET CB C 30.945 . 1 213 21 34 MET CE C 16.050 . 1 214 21 34 MET N N 118.111 . 1 215 22 35 ALA H H 9.015 . 1 216 22 35 ALA HA H 4.239 . 1 217 22 35 ALA HB H 1.425 . 1 218 22 35 ALA C C 178.058 . 1 219 22 35 ALA CA C 53.800 . 1 220 22 35 ALA CB C 18.397 . 1 221 22 35 ALA N N 120.068 . 1 222 23 36 ASN H H 7.143 . 1 223 23 36 ASN HA H 4.959 . 1 224 23 36 ASN HB2 H 3.130 . 2 225 23 36 ASN HB3 H 2.950 . 2 226 23 36 ASN HD21 H 9.320 . 2 227 23 36 ASN HD22 H 7.490 . 2 228 23 36 ASN C C 174.083 . 1 229 23 36 ASN CA C 54.000 . 1 230 23 36 ASN CB C 41.300 . 1 231 23 36 ASN N N 111.560 . 1 232 23 36 ASN ND2 N 118.810 . 1 233 24 37 GLY H H 7.797 . 1 234 24 37 GLY HA2 H 3.430 . 2 235 24 37 GLY HA3 H 3.290 . 2 236 24 37 GLY C C 173.163 . 1 237 24 37 GLY CA C 45.947 . 1 238 24 37 GLY N N 106.170 . 1 239 25 38 PHE H H 8.191 . 1 240 25 38 PHE HA H 4.910 . 1 241 25 38 PHE HB2 H 3.091 . 2 242 25 38 PHE HB3 H 2.813 . 2 243 25 38 PHE HD1 H 7.197 . 3 244 25 38 PHE HE1 H 7.166 . 3 245 25 38 PHE C C 173.496 . 1 246 25 38 PHE CA C 56.550 . 1 247 25 38 PHE CB C 37.220 . 1 248 25 38 PHE CD1 C 130.950 . 3 249 25 38 PHE CE1 C 128.760 . 3 250 25 38 PHE N N 122.454 . 1 251 26 39 ASP H H 6.756 . 1 252 26 39 ASP HA H 5.077 . 1 253 26 39 ASP HB2 H 3.208 . 2 254 26 39 ASP HB3 H 2.454 . 2 255 26 39 ASP C C 177.463 . 1 256 26 39 ASP CA C 53.447 . 1 257 26 39 ASP CB C 42.580 . 1 258 26 39 ASP N N 111.309 . 1 259 27 40 ASN H H 7.495 . 1 260 27 40 ASN HA H 4.820 . 1 261 27 40 ASN HB2 H 2.720 . 2 262 27 40 ASN HB3 H 2.560 . 2 263 27 40 ASN C C 176.228 . 1 264 27 40 ASN CA C 52.510 . 1 265 27 40 ASN CB C 40.321 . 1 266 27 40 ASN N N 118.385 . 1 267 28 41 VAL H H 9.192 . 1 268 28 41 VAL HA H 3.550 . 1 269 28 41 VAL HB H 1.870 . 1 270 28 41 VAL HG1 H 0.710 . 2 271 28 41 VAL HG2 H 0.511 . 2 272 28 41 VAL C C 176.429 . 1 273 28 41 VAL CA C 65.636 . 1 274 28 41 VAL CB C 31.883 . 1 275 28 41 VAL CG1 C 21.080 . 1 276 28 41 VAL CG2 C 21.170 . 1 277 28 41 VAL N N 125.741 . 1 278 29 42 GLN H H 8.203 . 1 279 29 42 GLN HA H 4.129 . 1 280 29 42 GLN HB2 H 2.010 . 2 281 29 42 GLN HB3 H 2.140 . 2 282 29 42 GLN HG2 H 2.420 . 2 283 29 42 GLN HG3 H 2.298 . 2 284 29 42 GLN C C 176.591 . 1 285 29 42 GLN CA C 57.198 . 1 286 29 42 GLN CB C 28.133 . 1 287 29 42 GLN CG C 34.696 . 1 288 29 42 GLN N N 116.452 . 1 289 30 43 ALA H H 7.781 . 1 290 30 43 ALA HA H 4.650 . 1 291 30 43 ALA HB H 1.270 . 1 292 30 43 ALA C C 175.976 . 1 293 30 43 ALA CA C 50.840 . 1 294 30 43 ALA CB C 19.150 . 1 295 30 43 ALA N N 122.150 . 1 296 31 44 MET H H 7.739 . 1 297 31 44 MET HE H 1.430 . 1 298 31 44 MET C C 178.275 . 1 299 31 44 MET CA C 55.323 . 1 300 31 44 MET CB C 34.696 . 1 301 31 44 MET CE C 16.980 . 1 302 31 44 MET N N 118.149 . 1 303 32 45 GLY H H 7.611 . 1 304 32 45 GLY N N 101.530 . 1 305 34 47 ASN HA H 4.480 . 1 306 34 47 ASN HB2 H 2.750 . 2 307 34 47 ASN HB3 H 2.900 . 2 308 34 47 ASN CA C 56.260 . 1 309 34 47 ASN CB C 39.384 . 1 310 36 49 MET HA H 4.646 . 1 311 36 49 MET HB2 H 1.530 . 2 312 36 49 MET HB3 H 1.830 . 2 313 36 49 MET HE H 1.288 . 1 314 36 49 MET C C 173.651 . 1 315 36 49 MET CA C 55.323 . 1 316 36 49 MET CB C 35.633 . 1 317 36 49 MET CE C 16.890 . 1 318 36 49 MET CG C 31.750 . 1 319 37 50 GLU H H 9.203 . 1 320 37 50 GLU HA H 4.650 . 1 321 37 50 GLU HB2 H 1.880 . 2 322 37 50 GLU HB3 H 2.320 . 2 323 37 50 GLU HG2 H 2.228 . 2 324 37 50 GLU HG3 H 2.070 . 2 325 37 50 GLU C C 177.008 . 1 326 37 50 GLU CA C 54.385 . 1 327 37 50 GLU CB C 33.758 . 1 328 37 50 GLU CG C 36.880 . 1 329 37 50 GLU N N 123.229 . 1 330 38 51 ASP H H 9.032 . 1 331 38 51 ASP HA H 4.149 . 1 332 38 51 ASP HB2 H 2.690 . 2 333 38 51 ASP HB3 H 2.570 . 2 334 38 51 ASP C C 177.994 . 1 335 38 51 ASP CA C 59.073 . 1 336 38 51 ASP CB C 43.134 . 1 337 38 51 ASP N N 122.717 . 1 338 39 52 GLN H H 8.950 . 1 339 39 52 GLN HA H 3.940 . 1 340 39 52 GLN HB2 H 1.960 . 2 341 39 52 GLN HB3 H 2.190 . 2 342 39 52 GLN C C 177.817 . 1 343 39 52 GLN CA C 59.073 . 1 344 39 52 GLN CB C 28.133 . 1 345 39 52 GLN N N 114.086 . 1 346 40 53 ASP H H 7.214 . 1 347 40 53 ASP HA H 4.370 . 1 348 40 53 ASP HB2 H 2.920 . 2 349 40 53 ASP HB3 H 2.670 . 2 350 40 53 ASP C C 177.667 . 1 351 40 53 ASP CA C 57.198 . 1 352 40 53 ASP CB C 41.800 . 1 353 40 53 ASP N N 118.734 . 1 354 41 54 LEU H H 7.180 . 1 355 41 54 LEU HA H 3.990 . 1 356 41 54 LEU HB2 H 2.060 . 2 357 41 54 LEU HB3 H 1.080 . 2 358 41 54 LEU HD1 H 0.679 . 2 359 41 54 LEU HD2 H 0.824 . 2 360 41 54 LEU C C 178.204 . 1 361 41 54 LEU CA C 56.260 . 1 362 41 54 LEU CB C 41.259 . 1 363 41 54 LEU CD1 C 22.360 . 1 364 41 54 LEU CD2 C 26.870 . 1 365 41 54 LEU N N 115.795 . 1 366 42 55 LEU H H 7.823 . 1 367 42 55 LEU HA H 3.920 . 1 368 42 55 LEU HB2 H 1.660 . 2 369 42 55 LEU HB3 H 1.483 . 2 370 42 55 LEU HD1 H 0.851 . 2 371 42 55 LEU HD2 H 0.852 . 2 372 42 55 LEU C C 180.876 . 1 373 42 55 LEU CA C 58.135 . 1 374 42 55 LEU CB C 42.196 . 1 375 42 55 LEU CD1 C 24.720 . 1 376 42 55 LEU CD2 C 25.240 . 1 377 42 55 LEU N N 120.499 . 1 378 43 56 GLU H H 8.127 . 1 379 43 56 GLU HA H 3.966 . 1 380 43 56 GLU HB2 H 2.191 . 2 381 43 56 GLU HB3 H 2.316 . 2 382 43 56 GLU HG2 H 2.200 . 2 383 43 56 GLU HG3 H 2.260 . 2 384 43 56 GLU C C 178.801 . 1 385 43 56 GLU CA C 60.010 . 1 386 43 56 GLU CB C 29.070 . 1 387 43 56 GLU CG C 36.571 . 1 388 43 56 GLU N N 120.955 . 1 389 44 57 ILE H H 7.504 . 1 390 44 57 ILE HA H 4.524 . 1 391 44 57 ILE HB H 2.554 . 1 392 44 57 ILE HD1 H 0.887 . 1 393 44 57 ILE HG12 H 1.390 . 1 394 44 57 ILE HG13 H 1.870 . 1 395 44 57 ILE HG2 H 1.083 . 4 396 44 57 ILE C C 175.691 . 1 397 44 57 ILE CA C 61.886 . 1 398 44 57 ILE CB C 37.300 . 1 399 44 57 ILE CD1 C 14.540 . 1 400 44 57 ILE CG1 C 25.480 . 1 401 44 57 ILE CG2 C 17.819 . 1 402 44 57 ILE N N 109.594 . 1 403 45 58 GLY H H 7.724 . 1 404 45 58 GLY HA2 H 3.650 . 2 405 45 58 GLY HA3 H 4.530 . 2 406 45 58 GLY C C 174.613 . 1 407 45 58 GLY CA C 45.947 . 1 408 45 58 GLY N N 106.680 . 1 409 46 59 ILE H H 8.180 . 1 410 46 59 ILE HA H 3.907 . 1 411 46 59 ILE HB H 1.510 . 1 412 46 59 ILE HD1 H 0.260 . 1 413 46 59 ILE HG12 H 1.190 . 1 414 46 59 ILE HG13 H 1.190 . 1 415 46 59 ILE HG2 H 0.188 . 1 416 46 59 ILE C C 174.235 . 1 417 46 59 ILE CA C 60.948 . 1 418 46 59 ILE CB C 33.980 . 1 419 46 59 ILE CD1 C 13.250 . 1 420 46 59 ILE CG1 C 26.250 . 1 421 46 59 ILE CG2 C 16.290 . 1 422 46 59 ILE N N 122.454 . 1 423 47 60 LEU H H 7.367 . 1 424 47 60 LEU HA H 3.900 . 1 425 47 60 LEU HB2 H 1.640 . 2 426 47 60 LEU HB3 H 1.640 . 2 427 47 60 LEU C C 177.753 . 1 428 47 60 LEU CA C 56.260 . 1 429 47 60 LEU CB C 42.196 . 1 430 47 60 LEU N N 125.835 . 1 431 50 63 GLY HA2 H 3.980 . 2 432 50 63 GLY HA3 H 3.950 . 2 433 50 63 GLY C C 177.130 . 1 434 50 63 GLY CA C 46.884 . 1 435 51 64 HIS H H 7.926 . 1 436 51 64 HIS HA H 4.451 . 1 437 51 64 HIS HB2 H 2.850 . 2 438 51 64 HIS HB3 H 3.160 . 2 439 51 64 HIS HD2 H 6.835 . 1 440 51 64 HIS HE1 H 7.770 . 1 441 51 64 HIS C C 177.613 . 1 442 51 64 HIS CA C 57.198 . 1 443 51 64 HIS CB C 30.945 . 1 444 51 64 HIS CD2 C 116.510 . 1 445 51 64 HIS CE1 C 138.550 . 1 446 51 64 HIS N N 122.284 . 1 447 52 65 ARG H H 8.105 . 1 448 52 65 ARG HA H 3.685 . 1 449 52 65 ARG HB2 H 1.750 . 2 450 52 65 ARG HB3 H 2.030 . 2 451 52 65 ARG HD2 H 3.300 . 2 452 52 65 ARG HD3 H 3.100 . 2 453 52 65 ARG HE H 8.460 . 1 454 52 65 ARG HG2 H 0.810 . 2 455 52 65 ARG C C 177.769 . 1 456 52 65 ARG CA C 61.886 . 1 457 52 65 ARG CB C 30.945 . 1 458 52 65 ARG CD C 44.180 . 1 459 52 65 ARG N N 117.775 . 1 460 52 65 ARG NE N 83.950 . 1 461 53 66 GLN H H 8.090 . 1 462 53 66 GLN HA H 3.940 . 1 463 53 66 GLN HB2 H 2.190 . 2 464 53 66 GLN HB3 H 2.190 . 2 465 53 66 GLN HG2 H 2.530 . 2 466 53 66 GLN HG3 H 2.390 . 2 467 53 66 GLN C C 178.583 . 1 468 53 66 GLN CA C 59.073 . 1 469 53 66 GLN CB C 28.133 . 1 470 53 66 GLN CG C 33.758 . 1 471 53 66 GLN N N 116.452 . 1 472 54 67 ARG H H 7.845 . 1 473 54 67 ARG HA H 4.010 . 1 474 54 67 ARG HB2 H 1.950 . 2 475 54 67 ARG HB3 H 1.950 . 2 476 54 67 ARG C C 179.766 . 1 477 54 67 ARG CA C 59.073 . 1 478 54 67 ARG CB C 30.720 . 1 479 54 67 ARG CG C 27.100 . 1 480 54 67 ARG N N 119.275 . 1 481 55 68 ILE H H 8.032 . 1 482 55 68 ILE HA H 3.495 . 1 483 55 68 ILE HB H 1.760 . 1 484 55 68 ILE HD1 H 0.580 . 1 485 55 68 ILE HG12 H 0.560 . 1 486 55 68 ILE HG13 H 1.770 . 1 487 55 68 ILE HG2 H 0.900 . 1 488 55 68 ILE C C 177.108 . 1 489 55 68 ILE CA C 66.230 . 1 490 55 68 ILE CB C 38.020 . 1 491 55 68 ILE CD1 C 13.890 . 1 492 55 68 ILE CG1 C 30.470 . 1 493 55 68 ILE CG2 C 17.880 . 1 494 55 68 ILE N N 121.152 . 1 495 56 69 LEU H H 8.490 . 1 496 56 69 LEU HA H 4.010 . 1 497 56 69 LEU HB2 H 1.840 . 2 498 56 69 LEU HB3 H 1.490 . 2 499 56 69 LEU HD1 H 0.840 . 2 500 56 69 LEU HD2 H 0.670 . 2 501 56 69 LEU C C 179.917 . 1 502 56 69 LEU CA C 58.135 . 1 503 56 69 LEU CB C 41.259 . 1 504 56 69 LEU CD1 C 25.320 . 2 505 56 69 LEU CD2 C 22.760 . 1 506 56 69 LEU N N 119.072 . 1 507 57 70 GLN H H 8.327 . 1 508 57 70 GLN HA H 4.100 . 1 509 57 70 GLN HB2 H 2.090 . 2 510 57 70 GLN HB3 H 2.180 . 2 511 57 70 GLN HG2 H 2.530 . 2 512 57 70 GLN HG3 H 2.380 . 2 513 57 70 GLN C C 178.798 . 1 514 57 70 GLN CA C 59.073 . 1 515 57 70 GLN CB C 28.133 . 1 516 57 70 GLN CG C 33.758 . 1 517 57 70 GLN N N 118.172 . 1 518 58 71 ALA H H 7.810 . 1 519 58 71 ALA HA H 4.320 . 1 520 58 71 ALA HB H 1.710 . 1 521 58 71 ALA C C 172.232 . 1 522 58 71 ALA CA C 55.323 . 1 523 58 71 ALA CB C 19.720 . 1 524 58 71 ALA N N 122.536 . 1 525 59 72 ILE H H 8.840 . 1 526 59 72 ILE HA H 4.030 . 1 527 59 72 ILE HB H 2.330 . 1 528 59 72 ILE HD1 H 0.829 . 1 529 59 72 ILE HG12 H 1.640 . 1 530 59 72 ILE HG13 H 1.640 . 1 531 59 72 ILE HG2 H 1.048 . 4 532 59 72 ILE C C 178.678 . 1 533 59 72 ILE CA C 64.698 . 1 534 59 72 ILE CB C 37.850 . 1 535 59 72 ILE CD1 C 15.010 . 1 536 59 72 ILE CG1 C 28.300 . 1 537 59 72 ILE CG2 C 18.210 . 1 538 59 72 ILE N N 118.111 . 1 539 60 73 GLN H H 7.547 . 1 540 60 73 GLN HA H 4.121 . 1 541 60 73 GLN HB2 H 2.339 . 2 542 60 73 GLN HB3 H 2.210 . 2 543 60 73 GLN HG2 H 2.713 . 2 544 60 73 GLN HG3 H 2.667 . 2 545 60 73 GLN C C 176.556 . 1 546 60 73 GLN CA C 58.135 . 1 547 60 73 GLN CB C 28.300 . 1 548 60 73 GLN CG C 34.100 . 1 549 60 73 GLN N N 119.094 . 1 550 61 74 LEU H H 7.350 . 1 551 61 74 LEU HA H 4.408 . 1 552 61 74 LEU HB2 H 1.810 . 2 553 61 74 LEU HB3 H 1.810 . 2 554 61 74 LEU HD1 H 1.011 . 2 555 61 74 LEU HD2 H 0.891 . 4 556 61 74 LEU C C 177.960 . 1 557 61 74 LEU CA C 54.900 . 1 558 61 74 LEU CB C 42.196 . 1 559 61 74 LEU CD1 C 25.320 . 2 560 61 74 LEU CD2 C 22.507 . 2 561 61 74 LEU N N 115.853 . 1 562 62 75 LEU H H 7.358 . 1 563 62 75 LEU HA H 4.530 . 1 564 62 75 LEU HB2 H 1.453 . 2 565 62 75 LEU HB3 H 1.809 . 2 566 62 75 LEU HD1 H 0.353 . 2 567 62 75 LEU HD2 H 0.639 . 2 568 62 75 LEU C C 177.035 . 1 569 62 75 LEU CA C 53.200 . 1 570 62 75 LEU CB C 40.700 . 1 571 62 75 LEU CD1 C 25.380 . 1 572 62 75 LEU CD2 C 21.710 . 1 573 62 75 LEU N N 121.010 . 1 574 63 76 PRO HA H 4.382 . 1 575 63 76 PRO HB2 H 1.830 . 2 576 63 76 PRO HB3 H 2.310 . 2 577 63 76 PRO HD2 H 3.590 . 2 578 63 76 PRO HD3 H 3.590 . 2 579 63 76 PRO HG2 H 1.690 . 2 580 63 76 PRO HG3 H 1.690 . 2 581 63 76 PRO CB C 31.883 . 1 582 63 76 PRO CG C 28.860 . 1 583 64 77 LYS H H 8.418 . 1 584 64 77 LYS HA H 4.140 . 1 585 64 77 LYS HB2 H 1.690 . 2 586 64 77 LYS HB3 H 1.620 . 2 587 64 77 LYS HD2 H 1.550 . 2 588 64 77 LYS HD3 H 1.390 . 2 589 64 77 LYS C C 177.122 . 1 590 64 77 LYS CA C 56.260 . 1 591 64 77 LYS CB C 33.340 . 1 592 64 77 LYS CD C 25.970 . 1 593 64 77 LYS CG C 29.140 . 1 594 64 77 LYS N N 121.932 . 1 595 65 78 MET H H 8.550 . 1 596 65 78 MET HA H 4.304 . 1 597 65 78 MET HB2 H 1.830 . 2 598 65 78 MET HB3 H 1.830 . 2 599 65 78 MET HE H 2.060 . 1 600 65 78 MET C C 176.105 . 1 601 65 78 MET CA C 56.260 . 1 602 65 78 MET CB C 32.821 . 1 603 65 78 MET CE C 17.100 . 1 604 65 78 MET N N 123.498 . 1 605 66 79 ARG H H 8.731 . 1 606 66 79 ARG C C 173.577 . 1 607 66 79 ARG CA C 53.447 . 1 608 66 79 ARG CB C 30.008 . 1 609 66 79 ARG N N 127.355 . 1 610 67 80 PRO HA H 4.780 . 1 611 67 80 PRO HB2 H 1.855 . 2 612 67 80 PRO HB3 H 2.184 . 2 613 67 80 PRO HD2 H 3.500 . 2 614 67 80 PRO HD3 H 3.854 . 2 615 67 80 PRO HG2 H 1.945 . 2 616 67 80 PRO HG3 H 1.900 . 2 617 67 80 PRO C C 177.043 . 1 618 67 80 PRO CA C 61.886 . 1 619 67 80 PRO CB C 32.821 . 1 620 67 80 PRO CD C 50.635 . 1 621 67 80 PRO CG C 27.195 . 1 622 68 81 ILE H H 8.580 . 1 623 68 81 ILE HA H 4.040 . 1 624 68 81 ILE HB H 1.720 . 1 625 68 81 ILE HD1 H 0.530 . 1 626 68 81 ILE HG12 H 1.190 . 1 627 68 81 ILE HG13 H 1.430 . 1 628 68 81 ILE HG2 H 0.880 . 1 629 68 81 ILE C C 176.831 . 1 630 68 81 ILE CA C 62.823 . 1 631 68 81 ILE CB C 38.580 . 1 632 68 81 ILE CD1 C 13.890 . 1 633 68 81 ILE CG1 C 26.580 . 1 634 68 81 ILE CG2 C 18.020 . 1 635 68 81 ILE N N 118.491 . 1 636 69 82 GLY H H 8.602 . 1 637 69 82 GLY CA C 45.009 . 1 638 69 82 GLY N N 111.377 . 1 639 70 83 HIS HD2 H 6.950 . 1 640 70 83 HIS CD2 C 120.010 . 1 641 71 84 ASP HA H 4.490 . 1 642 71 84 ASP HB2 H 2.610 . 2 643 71 84 ASP HB3 H 2.610 . 2 644 71 84 ASP CA C 54.385 . 1 645 71 84 ASP CB C 40.321 . 1 646 72 85 GLY H H 8.054 . 1 647 72 85 GLY HA2 H 4.040 . 2 648 72 85 GLY HA3 H 3.750 . 2 649 72 85 GLY C C 173.474 . 1 650 72 85 GLY CA C 45.009 . 1 651 72 85 GLY N N 108.038 . 1 652 73 86 ALA H H 7.858 . 1 653 73 86 ALA HA H 4.370 . 1 654 73 86 ALA HB H 1.280 . 1 655 73 86 ALA CA C 51.990 . 1 656 73 86 ALA CB C 19.220 . 1 657 73 86 ALA N N 123.819 . 1 658 74 87 HIS HD2 H 6.894 . 1 659 74 87 HIS CD2 C 120.885 . 1 660 77 90 SER H H 7.839 . 1 661 77 90 SER HA H 4.770 . 1 662 77 90 SER HB2 H 4.000 . 2 663 77 90 SER HB3 H 4.310 . 2 664 77 90 SER N N 115.163 . 1 665 78 91 VAL H H 8.578 . 1 666 78 91 VAL HA H 3.981 . 1 667 78 91 VAL HB H 2.029 . 1 668 78 91 VAL HG1 H 0.892 . 2 669 78 91 VAL HG2 H 0.990 . 2 670 78 91 VAL C C 177.480 . 1 671 78 91 VAL CA C 67.060 . 1 672 78 91 VAL CB C 32.500 . 1 673 78 91 VAL CG1 C 21.870 . 1 674 78 91 VAL CG2 C 20.390 . 1 675 78 91 VAL N N 123.481 . 1 676 79 92 ALA H H 8.607 . 1 677 79 92 ALA HA H 4.113 . 1 678 79 92 ALA HB H 1.420 . 1 679 79 92 ALA C C 179.868 . 1 680 79 92 ALA CA C 54.890 . 1 681 79 92 ALA CB C 18.790 . 1 682 79 92 ALA N N 120.334 . 1 683 80 93 GLU H H 7.886 . 1 684 80 93 GLU HA H 4.010 . 1 685 80 93 GLU HB2 H 2.120 . 2 686 80 93 GLU HB3 H 2.120 . 2 687 80 93 GLU HG2 H 2.370 . 2 688 80 93 GLU HG3 H 2.280 . 2 689 80 93 GLU C C 179.719 . 1 690 80 93 GLU CA C 59.073 . 1 691 80 93 GLU CB C 30.630 . 1 692 80 93 GLU CG C 36.890 . 1 693 80 93 GLU N N 117.643 . 1 694 81 94 TRP H H 8.299 . 1 695 81 94 TRP HA H 4.251 . 1 696 81 94 TRP HB2 H 3.640 . 2 697 81 94 TRP HB3 H 3.140 . 2 698 81 94 TRP HD1 H 7.240 . 1 699 81 94 TRP HE1 H 10.318 . 1 700 81 94 TRP HE3 H 7.432 . 1 701 81 94 TRP HH2 H 6.688 . 1 702 81 94 TRP HZ2 H 7.098 . 1 703 81 94 TRP HZ3 H 6.000 . 1 704 81 94 TRP C C 178.772 . 1 705 81 94 TRP CA C 60.010 . 1 706 81 94 TRP CB C 27.650 . 1 707 81 94 TRP CD1 C 126.140 . 1 708 81 94 TRP CE3 C 120.758 . 1 709 81 94 TRP CH2 C 123.073 . 1 710 81 94 TRP CZ2 C 113.010 . 1 711 81 94 TRP CZ3 C 121.760 . 1 712 81 94 TRP N N 122.545 . 1 713 81 94 TRP NE1 N 130.204 . 1 714 82 95 LEU H H 8.505 . 1 715 82 95 LEU HA H 2.880 . 1 716 82 95 LEU HB2 H 0.670 . 2 717 82 95 LEU HB3 H 1.490 . 2 718 82 95 LEU HD1 H 0.415 . 2 719 82 95 LEU HD2 H -0.301 . 4 720 82 95 LEU C C 180.235 . 1 721 82 95 LEU CA C 57.400 . 1 722 82 95 LEU CB C 40.321 . 1 723 82 95 LEU CD1 C 26.410 . 1 724 82 95 LEU CD2 C 21.271 . 1 725 82 95 LEU N N 121.110 . 1 726 83 96 ASP H H 8.185 . 1 727 83 96 ASP HA H 4.280 . 1 728 83 96 ASP HB2 H 2.680 . 2 729 83 96 ASP HB3 H 2.530 . 2 730 83 96 ASP C C 175.224 . 1 731 83 96 ASP CA C 57.310 . 1 732 83 96 ASP CB C 40.321 . 1 733 83 96 ASP N N 119.082 . 1 734 84 97 SER H H 7.989 . 1 735 84 97 SER HA H 4.250 . 1 736 84 97 SER HB2 H 3.980 . 2 737 84 97 SER HB3 H 3.980 . 2 738 84 97 SER C C 175.346 . 1 739 84 97 SER CA C 60.948 . 1 740 84 97 SER CB C 63.370 . 1 741 84 97 SER N N 117.579 . 1 742 85 98 ILE H H 6.862 . 1 743 85 98 ILE HA H 4.550 . 1 744 85 98 ILE HB H 1.820 . 1 745 85 98 ILE HD1 H 0.793 . 1 746 85 98 ILE HG2 H 0.755 . 1 747 85 98 ILE C C 173.308 . 1 748 85 98 ILE CA C 60.948 . 1 749 85 98 ILE CB C 37.760 . 1 750 85 98 ILE CD1 C 14.530 . 1 751 85 98 ILE CG2 C 17.340 . 1 752 85 98 ILE N N 113.733 . 1 753 86 99 GLU H H 7.705 . 1 754 86 99 GLU HA H 4.280 . 1 755 86 99 GLU HB2 H 2.670 . 2 756 86 99 GLU HB3 H 2.540 . 2 757 86 99 GLU C C 175.224 . 1 758 86 99 GLU CA C 56.260 . 1 759 86 99 GLU CB C 26.258 . 1 760 86 99 GLU CG C 36.571 . 1 761 86 99 GLU N N 115.493 . 1 762 87 100 LEU H H 7.989 . 1 763 87 100 LEU HA H 4.220 . 1 764 87 100 LEU HB2 H 1.770 . 2 765 87 100 LEU HB3 H 1.030 . 2 766 87 100 LEU HD1 H 0.152 . 2 767 87 100 LEU HD2 H 0.630 . 2 768 87 100 LEU C C 176.965 . 1 769 87 100 LEU CA C 52.510 . 1 770 87 100 LEU CB C 42.196 . 1 771 87 100 LEU CD1 C 20.900 . 1 772 87 100 LEU CD2 C 27.370 . 1 773 87 100 LEU N N 117.579 . 1 774 88 101 GLY H H 8.503 . 1 775 88 101 GLY CA C 46.884 . 1 776 88 101 GLY N N 107.794 . 1 777 89 102 ASP HA H 4.431 . 1 778 89 102 ASP HB2 H 2.410 . 2 779 89 102 ASP HB3 H 2.140 . 2 780 89 102 ASP C C 178.075 . 1 781 89 102 ASP CA C 57.198 . 1 782 89 102 ASP CB C 40.321 . 1 783 90 103 TYR H H 7.899 . 1 784 90 103 TYR HA H 4.940 . 1 785 90 103 TYR HB2 H 3.650 . 2 786 90 103 TYR HB3 H 2.960 . 2 787 90 103 TYR HD1 H 7.206 . 3 788 90 103 TYR HE1 H 6.950 . 3 789 90 103 TYR C C 175.527 . 1 790 90 103 TYR CA C 58.135 . 1 791 90 103 TYR CB C 38.446 . 1 792 90 103 TYR CD1 C 133.000 . 3 793 90 103 TYR CE1 C 118.690 . 3 794 90 103 TYR N N 115.595 . 1 795 91 104 THR H H 7.971 . 1 796 91 104 THR HA H 4.234 . 1 797 91 104 THR HB H 3.660 . 1 798 91 104 THR HG2 H 1.170 . 1 799 91 104 THR C C 175.905 . 1 800 91 104 THR CA C 68.449 . 1 801 91 104 THR CG2 C 22.210 . 1 802 91 104 THR N N 118.867 . 1 803 92 105 LYS H H 8.555 . 1 804 92 105 LYS HA H 3.940 . 1 805 92 105 LYS HB2 H 1.890 . 2 806 92 105 LYS HB3 H 1.890 . 2 807 92 105 LYS HD2 H 1.550 . 2 808 92 105 LYS HD3 H 1.426 . 2 809 92 105 LYS HG2 H 1.714 . 2 810 92 105 LYS C C 177.310 . 1 811 92 105 LYS CA C 60.948 . 1 812 92 105 LYS CB C 31.883 . 1 813 92 105 LYS CD C 25.320 . 1 814 92 105 LYS CG C 29.070 . 1 815 92 105 LYS N N 119.259 . 1 816 93 106 ALA H H 7.920 . 1 817 93 106 ALA HA H 4.128 . 1 818 93 106 ALA HB H 1.587 . 1 819 93 106 ALA C C 180.972 . 1 820 93 106 ALA CA C 55.070 . 1 821 93 106 ALA CB C 17.750 . 1 822 93 106 ALA N N 120.398 . 1 823 94 107 PHE H H 8.136 . 1 824 94 107 PHE HA H 4.190 . 1 825 94 107 PHE HB2 H 3.439 . 2 826 94 107 PHE HB3 H 3.424 . 2 827 94 107 PHE HD1 H 7.494 . 3 828 94 107 PHE HE1 H 6.965 . 3 829 94 107 PHE HZ H 6.966 . 1 830 94 107 PHE C C 177.955 . 1 831 94 107 PHE CA C 63.761 . 1 832 94 107 PHE CB C 38.446 . 1 833 94 107 PHE CD1 C 132.382 . 1 834 94 107 PHE CE1 C 130.948 . 1 835 94 107 PHE CZ C 128.323 . 1 836 94 107 PHE N N 117.119 . 1 837 95 108 LEU H H 8.351 . 1 838 95 108 LEU HA H 3.889 . 1 839 95 108 LEU HB2 H 1.581 . 2 840 95 108 LEU HB3 H 1.938 . 2 841 95 108 LEU HD1 H 0.956 . 2 842 95 108 LEU HD2 H 0.989 . 2 843 95 108 LEU C C 182.043 . 1 844 95 108 LEU CA C 59.073 . 1 845 95 108 LEU CB C 41.259 . 1 846 95 108 LEU CD1 C 25.125 . 1 847 95 108 LEU CD2 C 22.507 . 2 848 95 108 LEU N N 118.450 . 1 849 96 109 ILE H H 8.992 . 1 850 96 109 ILE HA H 4.069 . 1 851 96 109 ILE HB H 2.000 . 1 852 96 109 ILE HD1 H 0.860 . 1 853 96 109 ILE HG12 H 1.470 . 1 854 96 109 ILE HG13 H 1.506 . 1 855 96 109 ILE HG2 H 0.994 . 1 856 96 109 ILE C C 177.094 . 1 857 96 109 ILE CA C 63.761 . 1 858 96 109 ILE CB C 37.509 . 1 859 96 109 ILE CD1 C 13.770 . 1 860 96 109 ILE CG1 C 28.170 . 1 861 96 109 ILE CG2 C 17.550 . 1 862 96 109 ILE N N 118.177 . 1 863 97 110 ASN H H 7.067 . 1 864 97 110 ASN HA H 4.797 . 1 865 97 110 ASN HB2 H 2.870 . 2 866 97 110 ASN HB3 H 2.660 . 2 867 97 110 ASN HD21 H 8.480 . 2 868 97 110 ASN HD22 H 7.170 . 2 869 97 110 ASN C C 173.595 . 1 870 97 110 ASN CA C 54.385 . 1 871 97 110 ASN CB C 40.321 . 1 872 97 110 ASN N N 116.407 . 1 873 97 110 ASN ND2 N 117.450 . 1 874 98 111 GLY H H 7.681 . 1 875 98 111 GLY HA2 H 4.080 . 2 876 98 111 GLY HA3 H 3.640 . 2 877 98 111 GLY C C 174.552 . 1 878 98 111 GLY CA C 45.947 . 1 879 98 111 GLY N N 104.440 . 1 880 99 112 TYR H H 8.427 . 1 881 99 112 TYR HA H 4.661 . 1 882 99 112 TYR HB2 H 3.350 . 2 883 99 112 TYR HB3 H 2.973 . 2 884 99 112 TYR HD1 H 6.934 . 3 885 99 112 TYR HE1 H 6.664 . 3 886 99 112 TYR C C 174.425 . 1 887 99 112 TYR CA C 57.198 . 1 888 99 112 TYR CB C 36.571 . 1 889 99 112 TYR CD1 C 132.698 . 1 890 99 112 TYR CE1 C 118.080 . 1 891 99 112 TYR N N 122.830 . 1 892 100 113 THR H H 7.166 . 1 893 100 113 THR HA H 4.248 . 1 894 100 113 THR HG2 H 1.233 . 1 895 100 113 THR C C 174.897 . 1 896 100 113 THR CA C 62.290 . 1 897 100 113 THR CB C 68.970 . 1 898 100 113 THR CG2 C 22.760 . 1 899 100 113 THR N N 104.304 . 1 900 101 114 SER H H 7.695 . 1 901 101 114 SER C C 174.372 . 1 902 101 114 SER CA C 56.260 . 1 903 101 114 SER CB C 65.636 . 1 904 101 114 SER N N 115.613 . 1 905 102 115 MET HE H 0.910 . 1 906 102 115 MET CE C 14.610 . 1 907 103 116 ASP HA H 4.260 . 1 908 103 116 ASP HB2 H 2.562 . 2 909 103 116 ASP HB3 H 2.562 . 2 910 103 116 ASP CA C 57.198 . 1 911 103 116 ASP CB C 40.321 . 1 912 104 117 LEU H H 7.345 . 1 913 104 117 LEU HA H 4.290 . 1 914 104 117 LEU HB2 H 1.700 . 2 915 104 117 LEU HB3 H 1.930 . 2 916 104 117 LEU HD1 H 1.123 . 2 917 104 117 LEU HD2 H 0.890 . 2 918 104 117 LEU C C 178.488 . 1 919 104 117 LEU CA C 56.260 . 1 920 104 117 LEU CB C 42.196 . 1 921 104 117 LEU CD1 C 26.258 . 2 922 104 117 LEU CD2 C 22.460 . 1 923 104 117 LEU N N 117.878 . 1 924 105 118 LEU H H 7.514 . 1 925 105 118 LEU HA H 4.210 . 1 926 105 118 LEU HB2 H 1.420 . 2 927 105 118 LEU HB3 H 1.587 . 2 928 105 118 LEU HD1 H 0.504 . 2 929 105 118 LEU HD2 H 0.674 . 2 930 105 118 LEU C C 177.002 . 1 931 105 118 LEU CA C 55.323 . 1 932 105 118 LEU CB C 42.196 . 1 933 105 118 LEU CD1 C 26.680 . 1 934 105 118 LEU CD2 C 25.100 . 1 935 105 118 LEU N N 119.094 . 1 936 107 120 LYS HA H 4.340 . 1 937 107 120 LYS HB2 H 1.780 . 2 938 107 120 LYS HB3 H 2.050 . 2 939 107 120 LYS C C 176.603 . 1 940 107 120 LYS CA C 55.323 . 1 941 107 120 LYS CB C 31.883 . 1 942 107 120 LYS CD C 24.382 . 1 943 107 120 LYS CG C 29.070 . 1 944 108 121 ILE H H 7.539 . 1 945 108 121 ILE HA H 3.987 . 1 946 108 121 ILE HB H 1.720 . 1 947 108 121 ILE HD1 H 0.352 . 1 948 108 121 ILE HG12 H 1.490 . 1 949 108 121 ILE HG13 H 1.140 . 1 950 108 121 ILE HG2 H 0.735 . 1 951 108 121 ILE C C 173.247 . 1 952 108 121 ILE CA C 62.823 . 1 953 108 121 ILE CB C 38.446 . 1 954 108 121 ILE CD1 C 14.213 . 1 955 108 121 ILE CG1 C 29.920 . 1 956 108 121 ILE CG2 C 16.780 . 1 957 108 121 ILE N N 122.417 . 1 958 109 122 ALA H H 8.290 . 1 959 109 122 ALA HA H 3.970 . 1 960 109 122 ALA HB H 1.600 . 1 961 109 122 ALA C C 178.318 . 1 962 109 122 ALA CA C 50.150 . 1 963 109 122 ALA CB C 21.630 . 1 964 109 122 ALA N N 127.784 . 1 965 110 123 GLU HA H 3.707 . 1 966 110 123 GLU HB2 H 2.096 . 2 967 110 123 GLU HB3 H 2.123 . 2 968 110 123 GLU HG2 H 2.372 . 2 969 110 123 GLU C C 178.290 . 1 970 110 123 GLU CA C 60.948 . 1 971 110 123 GLU CB C 29.070 . 1 972 111 124 VAL H H 8.333 . 1 973 111 124 VAL HA H 3.850 . 1 974 111 124 VAL HB H 2.136 . 1 975 111 124 VAL HG1 H 0.980 . 2 976 111 124 VAL HG2 H 1.002 . 4 977 111 124 VAL C C 177.406 . 1 978 111 124 VAL CA C 65.636 . 1 979 111 124 VAL CB C 30.730 . 1 980 111 124 VAL CG1 C 20.540 . 1 981 111 124 VAL CG2 C 20.400 . 1 982 111 124 VAL N N 114.438 . 1 983 112 125 GLU H H 7.442 . 1 984 112 125 GLU HA H 4.152 . 1 985 112 125 GLU HB2 H 1.990 . 2 986 112 125 GLU HB3 H 2.380 . 2 987 112 125 GLU HG2 H 2.434 . 2 988 112 125 GLU HG3 H 2.259 . 2 989 112 125 GLU C C 179.982 . 1 990 112 125 GLU CA C 60.010 . 1 991 112 125 GLU CB C 30.008 . 1 992 112 125 GLU CG C 37.509 . 1 993 112 125 GLU N N 121.032 . 1 994 113 126 LEU H H 7.666 . 1 995 113 126 LEU HA H 3.846 . 1 996 113 126 LEU HB2 H 2.300 . 2 997 113 126 LEU HB3 H 1.120 . 2 998 113 126 LEU HD1 H 0.815 . 2 999 113 126 LEU HD2 H 0.822 . 2 1000 113 126 LEU C C 176.991 . 1 1001 113 126 LEU CA C 58.135 . 1 1002 113 126 LEU CB C 41.259 . 1 1003 113 126 LEU CD1 C 23.600 . 1 1004 113 126 LEU CD2 C 27.070 . 1 1005 113 126 LEU N N 118.731 . 1 1006 114 127 ILE H H 7.781 . 1 1007 114 127 ILE HA H 3.502 . 1 1008 114 127 ILE HB H 1.602 . 1 1009 114 127 ILE HD1 H 0.790 . 1 1010 114 127 ILE HG2 H 0.815 . 1 1011 114 127 ILE C C 178.195 . 1 1012 114 127 ILE CA C 65.636 . 1 1013 114 127 ILE CB C 40.321 . 1 1014 114 127 ILE CD1 C 13.780 . 1 1015 114 127 ILE CG1 C 29.070 . 1 1016 114 127 ILE CG2 C 16.830 . 1 1017 114 127 ILE N N 115.084 . 1 1018 115 128 ASN H H 8.470 . 1 1019 115 128 ASN HA H 4.502 . 1 1020 115 128 ASN HB2 H 2.920 . 2 1021 115 128 ASN HB3 H 2.773 . 2 1022 115 128 ASN HD21 H 7.490 . 2 1023 115 128 ASN HD22 H 7.110 . 2 1024 115 128 ASN C C 176.295 . 1 1025 115 128 ASN CA C 56.260 . 1 1026 115 128 ASN CB C 39.384 . 1 1027 115 128 ASN N N 115.158 . 1 1028 115 128 ASN ND2 N 113.060 . 1 1029 116 129 VAL H H 8.116 . 1 1030 116 129 VAL HA H 4.090 . 1 1031 116 129 VAL HB H 2.300 . 1 1032 116 129 VAL HG1 H 1.005 . 2 1033 116 129 VAL HG2 H 1.080 . 2 1034 116 129 VAL C C 176.740 . 1 1035 116 129 VAL CA C 64.400 . 1 1036 116 129 VAL CB C 32.050 . 1 1037 116 129 VAL CG1 C 21.060 . 1 1038 116 129 VAL CG2 C 21.250 . 1 1039 116 129 VAL N N 118.698 . 1 1040 117 130 LEU H H 7.294 . 1 1041 117 130 LEU HA H 3.970 . 1 1042 117 130 LEU HB2 H 1.770 . 2 1043 117 130 LEU HB3 H 1.200 . 2 1044 117 130 LEU HD1 H 0.319 . 2 1045 117 130 LEU HD2 H 0.013 . 2 1046 117 130 LEU C C 175.127 . 1 1047 117 130 LEU CA C 56.260 . 1 1048 117 130 LEU CB C 41.259 . 1 1049 117 130 LEU CD1 C 24.130 . 1 1050 117 130 LEU CD2 C 24.750 . 1 1051 117 130 LEU N N 116.201 . 1 1052 118 131 LYS H H 6.594 . 1 1053 118 131 LYS HA H 3.980 . 1 1054 118 131 LYS HB2 H 2.080 . 2 1055 118 131 LYS HB3 H 1.830 . 2 1056 118 131 LYS HD2 H 1.201 . 2 1057 118 131 LYS HG2 H 1.825 . 2 1058 118 131 LYS C C 175.589 . 1 1059 118 131 LYS CA C 56.260 . 1 1060 118 131 LYS CB C 28.133 . 1 1061 118 131 LYS CG C 24.382 . 1 1062 118 131 LYS N N 111.172 . 1 1063 119 132 ILE H H 8.245 . 1 1064 119 132 ILE HA H 4.090 . 1 1065 119 132 ILE HB H 1.430 . 1 1066 119 132 ILE HD1 H 0.260 . 1 1067 119 132 ILE HG12 H 0.230 . 1 1068 119 132 ILE HG13 H 0.460 . 1 1069 119 132 ILE HG2 H 0.654 . 1 1070 119 132 ILE C C 175.161 . 1 1071 119 132 ILE CA C 60.010 . 1 1072 119 132 ILE CB C 35.633 . 1 1073 119 132 ILE CD1 C 13.131 . 1 1074 119 132 ILE CG1 C 26.240 . 1 1075 119 132 ILE CG2 C 17.690 . 1 1076 119 132 ILE N N 119.484 . 1 1077 120 133 ASN H H 8.054 . 1 1078 120 133 ASN HA H 4.350 . 1 1079 120 133 ASN HB2 H 2.712 . 2 1080 120 133 ASN HB3 H 2.769 . 2 1081 120 133 ASN C C 175.136 . 1 1082 120 133 ASN CA C 54.385 . 1 1083 120 133 ASN CB C 39.384 . 1 1084 120 133 ASN N N 124.670 . 1 1085 121 134 LEU H H 7.517 . 1 1086 121 134 LEU HA H 4.678 . 1 1087 121 134 LEU HB2 H 1.330 . 2 1088 121 134 LEU HB3 H 1.330 . 2 1089 121 134 LEU HD1 H 0.720 . 2 1090 121 134 LEU HD2 H 0.555 . 2 1091 121 134 LEU C C 178.051 . 1 1092 121 134 LEU CA C 53.447 . 1 1093 121 134 LEU CB C 41.259 . 1 1094 121 134 LEU CD1 C 23.460 . 1 1095 121 134 LEU CD2 C 25.310 . 1 1096 121 134 LEU N N 119.918 . 1 1097 122 135 ILE H H 9.389 . 1 1098 122 135 ILE HA H 3.540 . 1 1099 122 135 ILE HB H 1.883 . 1 1100 122 135 ILE HD1 H 1.062 . 1 1101 122 135 ILE HG12 H 1.650 . 1 1102 122 135 ILE HG13 H 1.650 . 1 1103 122 135 ILE HG2 H 1.100 . 1 1104 122 135 ILE C C 176.425 . 1 1105 122 135 ILE CA C 65.636 . 1 1106 122 135 ILE CB C 38.446 . 1 1107 122 135 ILE CD1 C 14.390 . 1 1108 122 135 ILE CG1 C 30.008 . 1 1109 122 135 ILE CG2 C 17.170 . 1 1110 122 135 ILE N N 129.949 . 1 1111 123 136 GLY H H 8.675 . 1 1112 123 136 GLY HA2 H 2.650 . 2 1113 123 136 GLY HA3 H 2.060 . 2 1114 123 136 GLY C C 176.854 . 1 1115 123 136 GLY CA C 45.500 . 1 1116 123 136 GLY N N 106.314 . 1 1117 124 137 HIS H H 6.869 . 1 1118 124 137 HIS HA H 4.558 . 1 1119 124 137 HIS HB2 H 3.240 . 2 1120 124 137 HIS HB3 H 2.870 . 2 1121 124 137 HIS HD2 H 7.140 . 1 1122 124 137 HIS HE1 H 7.850 . 1 1123 124 137 HIS C C 176.977 . 1 1124 124 137 HIS CA C 57.198 . 1 1125 124 137 HIS CB C 30.945 . 1 1126 124 137 HIS CD2 C 116.510 . 1 1127 124 137 HIS CE1 C 138.550 . 1 1128 124 137 HIS N N 118.865 . 1 1129 125 138 ARG H H 7.730 . 1 1130 125 138 ARG HA H 3.770 . 1 1131 125 138 ARG HB2 H 1.575 . 2 1132 125 138 ARG HB3 H 2.191 . 2 1133 125 138 ARG HD2 H 2.920 . 2 1134 125 138 ARG HE H 9.020 . 1 1135 125 138 ARG HG2 H 1.848 . 2 1136 125 138 ARG HG3 H 1.500 . 2 1137 125 138 ARG C C 178.288 . 1 1138 125 138 ARG CA C 61.886 . 1 1139 125 138 ARG CB C 30.945 . 1 1140 125 138 ARG CD C 41.000 . 1 1141 125 138 ARG CG C 27.000 . 1 1142 125 138 ARG N N 118.149 . 1 1143 125 138 ARG NE N 81.990 . 1 1144 126 139 LYS H H 8.679 . 1 1145 126 139 LYS HA H 3.990 . 1 1146 126 139 LYS HB2 H 2.250 . 2 1147 126 139 LYS HB3 H 1.770 . 2 1148 126 139 LYS C C 179.184 . 1 1149 126 139 LYS CA C 58.135 . 1 1150 126 139 LYS CB C 30.945 . 1 1151 126 139 LYS CG C 26.258 . 1 1152 126 139 LYS N N 114.003 . 1 1153 127 140 ARG H H 7.248 . 1 1154 127 140 ARG HA H 3.870 . 1 1155 127 140 ARG HB2 H 1.790 . 2 1156 127 140 ARG HB3 H 1.910 . 2 1157 127 140 ARG HD2 H 3.200 . 2 1158 127 140 ARG HD3 H 3.200 . 2 1159 127 140 ARG HE H 7.420 . 1 1160 127 140 ARG HG2 H 1.640 . 2 1161 127 140 ARG HG3 H 1.680 . 2 1162 127 140 ARG C C 177.772 . 1 1163 127 140 ARG CA C 60.010 . 1 1164 127 140 ARG CB C 30.945 . 1 1165 127 140 ARG CD C 43.000 . 1 1166 127 140 ARG CG C 27.000 . 1 1167 127 140 ARG N N 120.072 . 1 1168 127 140 ARG NE N 80.430 . 1 1169 128 141 ILE H H 7.706 . 1 1170 128 141 ILE HA H 3.530 . 1 1171 128 141 ILE HB H 1.980 . 1 1172 128 141 ILE HD1 H 0.294 . 1 1173 128 141 ILE HG2 H 1.110 . 1 1174 128 141 ILE C C 177.669 . 1 1175 128 141 ILE CA C 65.636 . 1 1176 128 141 ILE CB C 38.680 . 1 1177 128 141 ILE CD1 C 14.480 . 1 1178 128 141 ILE CG2 C 17.170 . 1 1179 128 141 ILE N N 118.730 . 1 1180 129 142 LEU H H 8.194 . 1 1181 129 142 LEU HA H 3.950 . 1 1182 129 142 LEU HB2 H 1.810 . 2 1183 129 142 LEU HB3 H 1.540 . 2 1184 129 142 LEU HD1 H 0.815 . 2 1185 129 142 LEU HD2 H 0.800 . 2 1186 129 142 LEU C C 179.960 . 1 1187 129 142 LEU CA C 58.135 . 1 1188 129 142 LEU CB C 41.259 . 1 1189 129 142 LEU CD1 C 22.540 . 1 1190 129 142 LEU CD2 C 25.210 . 1 1191 129 142 LEU N N 117.675 . 1 1192 130 143 ALA H H 8.294 . 1 1193 130 143 ALA HA H 4.220 . 1 1194 130 143 ALA HB H 1.440 . 1 1195 130 143 ALA C C 179.899 . 1 1196 130 143 ALA CA C 54.385 . 1 1197 130 143 ALA CB C 19.270 . 1 1198 130 143 ALA N N 121.096 . 1 1199 131 144 SER H H 7.813 . 1 1200 131 144 SER HA H 4.180 . 1 1201 131 144 SER HB2 H 3.800 . 2 1202 131 144 SER HB3 H 3.800 . 2 1203 131 144 SER C C 175.457 . 1 1204 131 144 SER CA C 60.948 . 1 1205 131 144 SER CB C 63.761 . 1 1206 131 144 SER N N 112.102 . 1 1207 132 145 LEU H H 7.747 . 1 1208 132 145 LEU HA H 4.140 . 1 1209 132 145 LEU HB2 H 1.800 . 2 1210 132 145 LEU HB3 H 1.440 . 2 1211 132 145 LEU HD1 H 0.741 . 2 1212 132 145 LEU HD2 H 0.122 . 2 1213 132 145 LEU C C 178.589 . 1 1214 132 145 LEU CA C 56.260 . 1 1215 132 145 LEU CB C 42.196 . 1 1216 132 145 LEU CD1 C 26.258 . 2 1217 132 145 LEU CD2 C 21.900 . 1 1218 132 145 LEU N N 117.536 . 1 1219 133 146 GLY H H 7.544 . 1 1220 133 146 GLY HA2 H 3.950 . 2 1221 133 146 GLY HA3 H 3.100 . 2 1222 133 146 GLY C C 173.372 . 1 1223 133 146 GLY CA C 45.947 . 1 1224 133 146 GLY N N 105.351 . 1 1225 134 147 ASP H H 8.342 . 1 1226 134 147 ASP HA H 4.650 . 1 1227 134 147 ASP HB2 H 2.730 . 2 1228 134 147 ASP HB3 H 2.610 . 2 1229 134 147 ASP C C 175.462 . 1 1230 134 147 ASP CA C 54.385 . 1 1231 134 147 ASP CB C 41.259 . 1 1232 134 147 ASP N N 120.133 . 1 1233 135 148 ARG H H 7.932 . 1 1234 135 148 ARG C C 180.835 . 1 1235 135 148 ARG CA C 57.198 . 1 1236 135 148 ARG CB C 31.883 . 1 1237 135 148 ARG N N 125.632 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 395 '396,397' '534,535,536' '558,559,560' '725,726,727' '982,983,984' stop_ save_