data_7302 #Corrected using PDB structure: 2I4KA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 4 L HA 4.70 5.61 # 22 V HA 4.57 5.31 # 34 L HA 3.83 4.61 # 37 S HA 4.57 3.51 # 39 Q HA 5.13 2.56 # 45 R HA 5.57 4.78 # 65 F HA 4.57 3.76 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 71 P CA 59.17 65.54 #113 T CA 59.84 66.27 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 18 M CB 31.90 39.98 # 67 V CB 41.16 32.20 # 71 P CB 63.61 31.14 # 73 K CB 36.89 31.27 # 79 T CB 69.63 76.44 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 10 D N 113.39 127.12 # 17 G N 109.17 119.26 # 40 F N 121.85 108.08 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 46 F H 10.17 7.90 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.03 0.12 -0.12 -0.39 -0.71 -0.19 # #bmr7302.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr7302.str file): #HA CA CB CO N HN #N/A +0.00 +0.00 -0.39 -0.71 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.18 +/-0.18 +/-0.18 +/-0.46 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.636 0.918 0.958 0.728 0.539 0.276 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.171 0.971 0.926 1.000 2.489 0.423 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The PX domain of Sorting Nexin 1 (SNX1) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Watson Martin J. . 2 Waltho Jonathon P. . 3 Hounslow Andrea M. . stop_ _BMRB_accession_number 7302 _BMRB_flat_file_name bmr7302.str _Entry_type new _Submission_date 2006-09-25 _Accession_date 2006-09-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 551 "1H chemical shifts" 632 "15N chemical shifts" 123 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Determinants of the Localization of Sorting Nexin 1 ; _Citation_status published _Citation_type journal _PubMed_ID 15673616 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhong Qi . . 2 Watson Martin J. . 3 Lazar Cheri S. . 4 Hounslow Andrea M. . 5 Waltho Jonathon P. . 6 Gill Gordon N. . stop_ _Journal_abbreviation "Mol. Biol. Cell" _Journal_volume 16 _Journal_issue 4 _Page_first 2049 _Page_last 2057 _Year 2005 _Details ; The first and second authors contributed equally to this publication. ; save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SNX1-PX _Abbreviation_common SNX1-PX loop_ _Mol_system_component_name _Mol_label SNX1-PX $PX_domain stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" _Details "The PX domain of Sorting Nexin 1" save_ ######################## # Monomeric polymers # ######################## save_PX_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SNX1-PX _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; QFDLTVGITDPEKIGDGMNA YVAYKVTTQTSLPLFRSKQF AVKRRFSDFLGLYEKLSEKH SQNGFIVPPPPEKSLIGMTK VKVGKEDSSSAEFLEKRRAA LERYLQRIVNHPTMLQDPDV REFLEKEE ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 PHE 3 ASP 4 LEU 5 THR 6 VAL 7 GLY 8 ILE 9 THR 10 ASP 11 PRO 12 GLU 13 LYS 14 ILE 15 GLY 16 ASP 17 GLY 18 MET 19 ASN 20 ALA 21 TYR 22 VAL 23 ALA 24 TYR 25 LYS 26 VAL 27 THR 28 THR 29 GLN 30 THR 31 SER 32 LEU 33 PRO 34 LEU 35 PHE 36 ARG 37 SER 38 LYS 39 GLN 40 PHE 41 ALA 42 VAL 43 LYS 44 ARG 45 ARG 46 PHE 47 SER 48 ASP 49 PHE 50 LEU 51 GLY 52 LEU 53 TYR 54 GLU 55 LYS 56 LEU 57 SER 58 GLU 59 LYS 60 HIS 61 SER 62 GLN 63 ASN 64 GLY 65 PHE 66 ILE 67 VAL 68 PRO 69 PRO 70 PRO 71 PRO 72 GLU 73 LYS 74 SER 75 LEU 76 ILE 77 GLY 78 MET 79 THR 80 LYS 81 VAL 82 LYS 83 VAL 84 GLY 85 LYS 86 GLU 87 ASP 88 SER 89 SER 90 SER 91 ALA 92 GLU 93 PHE 94 LEU 95 GLU 96 LYS 97 ARG 98 ARG 99 ALA 100 ALA 101 LEU 102 GLU 103 ARG 104 TYR 105 LEU 106 GLN 107 ARG 108 ILE 109 VAL 110 ASN 111 HIS 112 PRO 113 THR 114 MET 115 LEU 116 GLN 117 ASP 118 PRO 119 ASP 120 VAL 121 ARG 122 GLU 123 PHE 124 LEU 125 GLU 126 LYS 127 GLU 128 GLU stop_ _Sequence_homology_query_date 2007-03-02 _Sequence_homology_query_revised_last_date 2007-01-11 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 2I4K "A Chain A, Solution Structure Of The PxDomain Of Sorting Nexin 1" 100.00 128 100 100 2e-67 DBJ BAD92250.1 "sorting nexin 1 isoform a variant [Homosapiens]" 29.63 432 100 100 2e-67 DBJ BAE01200.1 "unnamed protein product [Macacafascicularis]" 27.00 474 100 100 2e-67 DBJ BAD96513.1 "sorting nexin 1 isoform a variant [Homosapiens]" 24.52 522 100 100 2e-67 DBJ BAE01822.1 "unnamed protein product [Macacafascicularis]" 24.52 522 100 100 2e-67 DBJ BAC87312.1 "unnamed protein product [Homo sapiens]" 22.98 557 100 100 2e-67 EMBL CAH89408.1 "hypothetical protein [Pongo pygmaeus]" 24.52 522 100 100 2e-67 EMBL CAH89409.1 "hypothetical protein [Pongo pygmaeus]" 24.52 522 99 100 3e-67 GenBank EAW77666.1 "sorting nexin 1, isoform CRA_d [Homosapiens]" 27.00 474 100 100 2e-67 GenBank AAP36389.1 "Homo sapiens sorting nexin 1 [syntheticconstruct]" 24.47 523 100 100 2e-67 GenBank AAX43321.1 "sorting nexin 1 [synthetic construct]" 24.47 523 100 100 2e-67 GenBank AAX43322.1 "sorting nexin 1 [synthetic construct]" 24.47 523 100 100 2e-67 GenBank EAW77664.1 "sorting nexin 1, isoform CRA_b [Homosapiens]" 24.24 528 100 100 2e-67 PIR G02522 "sorting nexin 1 - human" 24.52 522 100 100 2e-67 REF XP_001174054.1 "PREDICTED: sorting nexin 1 isoform3 [Pan troglodytes]" 30.19 424 100 100 2e-67 REF XP_001174042.1 "PREDICTED: sorting nexin 1 isoform1 [Pan troglodytes]" 27.00 474 100 100 2e-67 REF XP_001106400.1 "PREDICTED: sorting nexin 1 [Macacamulatta]" 24.52 522 100 100 2e-67 REF XP_001174058.1 "PREDICTED: sorting nexin 1 isoform4 [Pan troglodytes]" 24.52 522 100 100 2e-67 REF XP_510470.2 "PREDICTED: hypothetical proteinisoform 5 [Pan troglodytes]" 22.98 557 100 100 2e-67 SWISS-PROT Q13596 "SNX1_HUMAN Sorting nexin-1" 24.52 522 100 100 2e-67 SWISS-PROT Q4R503 "SNX1_MACFA Sorting nexin-1" 24.52 522 100 100 2e-67 SWISS-PROT Q5RFP8 "SNX1_PONPY Sorting nexin-1" 24.52 522 99 100 3e-67 SWISS-PROT Q99N27 "SNX1_RAT Sorting nexin-1" 24.52 522 98 100 6e-67 SWISS-PROT Q9WV80 "SNX1_MOUSE Sorting nexin-1" 24.52 522 98 100 6e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PX_domain 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 $PX_domain "recombinant technology" "E. Coli" ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PX_domain 1 mM "[U-13C; U-15N]" Phosphate 20 mM ? NaCl 100 mM ? NaN3 1 mM ? D20 10 % ? stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address Accelrys ? ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 15N-HSQC 13C-HSQC HNCA HNCO HNCACB CBCA(CO)NH HN(CA)CO CCH-TOCSY HCCH-TOCSY 15N,13C-NOESY-HSQC ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 TSP H 1 "methyl protons" ppm 0.0 indirect internal ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name SNX1-PX loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 GLN C C 176.93 0.10 1 2 1 GLN CA C 59.52 0.10 1 3 1 GLN CB C 27.76 0.10 1 4 2 PHE H H 8.15 0.02 1 5 2 PHE HA H 4.68 0.02 1 6 2 PHE HB2 H 3.12 0.02 2 7 2 PHE HB3 H 2.79 0.02 2 8 2 PHE HD1 H 7.14 0.02 1 9 2 PHE HD2 H 7.14 0.02 1 10 2 PHE C C 174.93 0.10 1 11 2 PHE CA C 56.50 0.10 1 12 2 PHE CB C 39.98 0.10 1 13 2 PHE CD1 C 131.91 0.10 1 14 2 PHE CD2 C 131.91 0.10 1 15 2 PHE N N 118.39 0.10 1 16 3 ASP H H 8.38 0.02 1 17 3 ASP HA H 4.58 0.02 1 18 3 ASP HB2 H 2.60 0.02 2 19 3 ASP HB3 H 2.49 0.02 2 20 3 ASP C C 174.85 0.10 1 21 3 ASP CA C 54.72 0.10 1 22 3 ASP CB C 41.15 0.10 1 23 3 ASP N N 120.11 0.10 1 24 4 LEU H H 8.00 0.02 1 25 4 LEU HA H 4.73 0.02 1 26 4 LEU HB2 H 1.48 0.02 2 27 4 LEU HG H 1.31 0.02 1 28 4 LEU HD1 H 0.64 0.02 2 29 4 LEU HD2 H 0.67 0.02 2 30 4 LEU C C 174.12 0.10 1 31 4 LEU CA C 56.25 0.10 1 32 4 LEU CB C 43.91 0.10 1 33 4 LEU CG C 27.40 0.10 1 34 4 LEU CD1 C 25.75 0.10 2 35 4 LEU CD2 C 26.46 0.10 2 36 4 LEU N N 123.34 0.10 1 37 5 THR H H 9.02 0.02 1 38 5 THR HA H 4.67 0.02 1 39 5 THR HB H 3.90 0.02 1 40 5 THR HG2 H 1.05 0.02 1 41 5 THR C C 172.39 0.10 1 42 5 THR CA C 61.10 0.10 1 43 5 THR CB C 71.40 0.10 1 44 5 THR CG2 C 21.25 0.10 1 45 5 THR N N 120.83 0.10 1 46 6 VAL H H 8.54 0.02 1 47 6 VAL HA H 5.26 0.02 1 48 6 VAL HB H 1.70 0.02 1 49 6 VAL HG1 H 0.70 0.02 2 50 6 VAL HG2 H 0.72 0.02 2 51 6 VAL C C 174.12 0.10 1 52 6 VAL CA C 58.89 0.10 1 53 6 VAL CB C 35.33 0.10 1 54 6 VAL CG1 C 20.53 0.10 2 55 6 VAL CG2 C 21.57 0.10 2 56 6 VAL N N 120.71 0.10 1 57 7 GLY H H 8.68 0.02 1 58 7 GLY HA2 H 4.59 0.02 2 59 7 GLY HA3 H 3.53 0.02 2 60 7 GLY C C 171.72 0.10 1 61 7 GLY CA C 43.75 0.10 1 62 7 GLY N N 111.09 0.10 1 63 8 ILE H H 9.52 0.02 1 64 8 ILE HA H 5.45 0.02 1 65 8 ILE HB H 1.64 0.02 1 66 8 ILE HG12 H 1.14 0.02 2 67 8 ILE HG13 H 1.47 0.02 2 68 8 ILE HG2 H 0.83 0.02 1 69 8 ILE HD1 H 0.78 0.02 1 70 8 ILE C C 174.81 0.10 1 71 8 ILE CA C 60.00 0.10 1 72 8 ILE CB C 39.12 0.10 1 73 8 ILE CG1 C 27.09 0.10 1 74 8 ILE CG2 C 18.89 0.10 1 75 8 ILE CD1 C 13.07 0.10 1 76 8 ILE N N 122.03 0.10 1 77 9 THR H H 9.30 0.02 1 78 9 THR HA H 4.78 0.02 1 79 9 THR HB H 4.24 0.02 1 80 9 THR HG2 H 1.03 0.02 1 81 9 THR C C 172.33 0.10 1 82 9 THR CA C 59.53 0.10 1 83 9 THR CB C 73.13 0.10 1 84 9 THR CG2 C 21.71 0.10 1 85 9 THR N N 116.96 0.10 1 86 10 ASP H H 8.72 0.02 1 87 10 ASP HA H 4.25 0.02 1 88 10 ASP HB2 H 2.55 0.02 2 89 10 ASP HB3 H 2.66 0.02 2 90 10 ASP C C 171.12 0.10 1 91 10 ASP CA C 54.82 0.10 1 92 10 ASP CB C 41.27 0.10 1 93 10 ASP N N 113.39 0.10 1 94 11 PRO HA H 4.51 0.02 1 95 11 PRO HB2 H 1.72 0.02 2 96 11 PRO HB3 H 1.50 0.02 2 97 11 PRO HG2 H 2.11 0.02 2 98 11 PRO HG3 H 1.77 0.02 2 99 11 PRO HD2 H 3.41 0.02 2 100 11 PRO HD3 H 3.71 0.02 2 101 11 PRO C C 177.21 0.10 1 102 11 PRO CA C 62.54 0.10 1 103 11 PRO CB C 31.41 0.10 1 104 11 PRO CG C 27.91 0.10 1 105 11 PRO CD C 50.27 0.10 1 106 12 GLU H H 8.82 0.02 1 107 12 GLU HA H 4.39 0.02 1 108 12 GLU HB2 H 1.76 0.02 2 109 12 GLU HB3 H 1.67 0.02 2 110 12 GLU HG2 H 2.05 0.02 2 111 12 GLU HG3 H 1.90 0.02 2 112 12 GLU C C 173.27 0.10 1 113 12 GLU CA C 54.61 0.10 1 114 12 GLU CB C 33.32 0.10 1 115 12 GLU CG C 35.37 0.10 1 116 12 GLU N N 123.84 0.10 1 117 13 LYS H H 8.58 0.02 1 118 13 LYS HA H 4.36 0.02 1 119 13 LYS HB2 H 1.42 0.02 2 120 13 LYS HB3 H 1.65 0.02 2 121 13 LYS HG2 H 1.07 0.02 2 122 13 LYS HD2 H 1.48 0.02 2 123 13 LYS HE2 H 2.77 0.02 2 124 13 LYS C C 174.75 0.10 1 125 13 LYS CA C 56.05 0.10 1 126 13 LYS CB C 32.93 0.10 1 127 13 LYS CG C 24.75 0.10 1 128 13 LYS CD C 29.34 0.10 1 129 13 LYS CE C 41.68 0.10 1 130 13 LYS N N 124.81 0.10 1 131 14 ILE H H 9.03 0.02 1 132 14 ILE HA H 3.92 0.02 1 133 14 ILE HB H 0.66 0.02 1 134 14 ILE HG12 H 0.95 0.02 2 135 14 ILE HG13 H 0.89 0.02 2 136 14 ILE HG2 H 0.59 0.02 1 137 14 ILE HD1 H 0.48 0.02 1 138 14 ILE C C 174.89 0.10 1 139 14 ILE CA C 59.69 0.10 1 140 14 ILE CB C 37.57 0.10 1 141 14 ILE CG1 C 26.77 0.10 1 142 14 ILE CG2 C 16.88 0.10 1 143 14 ILE CD1 C 11.33 0.10 1 144 14 ILE N N 130.12 0.10 1 145 15 GLY H H 8.19 0.02 1 146 15 GLY HA2 H 4.14 0.02 2 147 15 GLY HA3 H 3.56 0.02 2 148 15 GLY C C 172.17 0.10 1 149 15 GLY CA C 43.85 0.10 1 150 15 GLY N N 111.50 0.10 1 151 16 ASP H H 8.01 0.02 1 152 16 ASP HA H 4.72 0.02 1 153 16 ASP HB2 H 2.45 0.02 2 154 16 ASP C C 175.51 0.10 1 155 16 ASP CA C 53.09 0.10 1 156 16 ASP CB C 43.86 0.10 1 157 16 ASP N N 115.41 0.10 1 158 17 GLY H H 8.51 0.02 1 159 17 GLY HA2 H 3.72 0.02 2 160 17 GLY C C 175.74 0.10 1 161 17 GLY CA C 45.73 0.10 1 162 17 GLY N N 109.17 0.10 1 163 18 MET H H 8.86 0.02 1 164 18 MET C C 176.13 0.10 1 165 18 MET CA C 57.02 0.10 1 166 18 MET CB C 32.02 0.10 1 167 18 MET N N 121.90 0.10 1 168 19 ASN H H 8.21 0.02 1 169 19 ASN HA H 4.82 0.02 1 170 19 ASN HB2 H 2.92 0.02 2 171 19 ASN HB3 H 2.79 0.02 2 172 19 ASN C C 174.33 0.10 1 173 19 ASN CA C 52.67 0.10 1 174 19 ASN CB C 38.96 0.10 1 175 19 ASN N N 115.00 0.10 1 176 20 ALA H H 7.20 0.02 1 177 20 ALA HA H 4.64 0.02 1 178 20 ALA HB H 1.01 0.02 1 179 20 ALA C C 176.54 0.10 1 180 20 ALA CA C 52.29 0.10 1 181 20 ALA CB C 19.97 0.10 1 182 20 ALA N N 122.77 0.10 1 183 21 TYR H H 8.49 0.02 1 184 21 TYR HA H 4.94 0.02 1 185 21 TYR HB2 H 3.01 0.02 2 186 21 TYR HD1 H 6.92 0.02 1 187 21 TYR HD2 H 6.92 0.02 1 188 21 TYR HE1 H 6.58 0.02 1 189 21 TYR HE2 H 6.58 0.02 1 190 21 TYR C C 171.91 0.10 1 191 21 TYR CA C 55.72 0.10 1 192 21 TYR CB C 40.86 0.10 1 193 21 TYR CD1 C 133.70 0.10 1 194 21 TYR CD2 C 133.70 0.10 1 195 21 TYR CE1 C 117.54 0.10 1 196 21 TYR CE2 C 117.54 0.10 1 197 21 TYR N N 117.09 0.10 1 198 22 VAL H H 8.16 0.02 1 199 22 VAL HA H 4.60 0.02 1 200 22 VAL HB H 1.87 0.02 1 201 22 VAL HG1 H 0.75 0.02 2 202 22 VAL HG2 H 0.24 0.02 2 203 22 VAL C C 174.69 0.10 1 204 22 VAL CA C 60.94 0.10 1 205 22 VAL CB C 33.28 0.10 1 206 22 VAL CG1 C 22.10 0.10 2 207 22 VAL CG2 C 21.26 0.10 2 208 22 VAL N N 119.08 0.10 1 209 23 ALA H H 8.93 0.02 1 210 23 ALA HA H 4.97 0.02 1 211 23 ALA HB H 1.28 0.02 1 212 23 ALA C C 174.52 0.10 1 213 23 ALA CA C 49.81 0.10 1 214 23 ALA CB C 22.34 0.10 1 215 23 ALA N N 129.05 0.10 1 216 24 TYR H H 9.16 0.02 1 217 24 TYR HA H 4.39 0.02 1 218 24 TYR HB2 H 2.84 0.02 2 219 24 TYR HB3 H 2.67 0.02 2 220 24 TYR HD1 H 6.87 0.02 1 221 24 TYR HD2 H 6.87 0.02 1 222 24 TYR HE1 H 6.50 0.02 1 223 24 TYR HE2 H 6.50 0.02 1 224 24 TYR C C 174.14 0.10 1 225 24 TYR CA C 57.18 0.10 1 226 24 TYR CB C 41.47 0.10 1 227 24 TYR CD1 C 132.53 0.10 1 228 24 TYR CD2 C 132.53 0.10 1 229 24 TYR CE1 C 117.29 0.10 1 230 24 TYR CE2 C 117.29 0.10 1 231 24 TYR N N 117.56 0.10 1 232 25 LYS H H 8.48 0.02 1 233 25 LYS HA H 4.74 0.02 1 234 25 LYS HB2 H 1.58 0.02 2 235 25 LYS HG2 H 1.12 0.02 2 236 25 LYS HG3 H 1.05 0.02 2 237 25 LYS HD2 H 1.45 0.02 2 238 25 LYS HE2 H 2.69 0.02 2 239 25 LYS C C 174.76 0.10 1 240 25 LYS CA C 56.26 0.10 1 241 25 LYS CB C 32.56 0.10 1 242 25 LYS CG C 25.05 0.10 1 243 25 LYS CD C 29.32 0.10 1 244 25 LYS CE C 41.59 0.10 1 245 25 LYS N N 122.43 0.10 1 246 26 VAL H H 9.49 0.02 1 247 26 VAL HA H 4.68 0.02 1 248 26 VAL HB H 2.00 0.02 1 249 26 VAL HG1 H 0.71 0.02 2 250 26 VAL HG2 H 0.81 0.02 2 251 26 VAL C C 175.87 0.10 1 252 26 VAL CA C 61.46 0.10 1 253 26 VAL CB C 32.23 0.10 1 254 26 VAL CG1 C 20.81 0.10 1 255 26 VAL CG2 C 20.81 0.10 1 256 26 VAL N N 130.16 0.10 1 257 27 THR H H 9.26 0.02 1 258 27 THR HA H 4.89 0.02 1 259 27 THR HB H 3.79 0.02 1 260 27 THR HG2 H 0.89 0.02 1 261 27 THR C C 172.94 0.10 1 262 27 THR CA C 61.45 0.10 1 263 27 THR CB C 69.96 0.10 1 264 27 THR CG2 C 20.65 0.10 1 265 27 THR N N 124.61 0.10 1 266 28 THR H H 8.60 0.02 1 267 28 THR HA H 4.59 0.02 1 268 28 THR HB H 4.11 0.02 1 269 28 THR HG2 H 0.35 0.02 1 270 28 THR C C 172.48 0.10 1 271 28 THR CA C 62.49 0.10 1 272 28 THR CB C 68.90 0.10 1 273 28 THR CG2 C 22.17 0.10 1 274 28 THR N N 125.60 0.10 1 275 29 GLN H H 8.29 0.02 1 276 29 GLN HA H 5.03 0.02 1 277 29 GLN HB2 H 1.85 0.02 2 278 29 GLN HB3 H 1.74 0.02 2 279 29 GLN HG2 H 2.09 0.02 2 280 29 GLN HE21 H 6.64 0.02 1 281 29 GLN C C 174.54 0.10 1 282 29 GLN CA C 53.95 0.10 1 283 29 GLN CB C 31.79 0.10 1 284 29 GLN CG C 34.00 0.10 1 285 29 GLN N N 122.29 0.10 1 286 29 GLN NE2 N 110.75 0.10 1 287 30 THR H H 9.12 0.02 1 288 30 THR HA H 4.92 0.02 1 289 30 THR HB H 4.01 0.02 1 290 30 THR HG2 H 1.01 0.02 1 291 30 THR C C 170.75 0.10 1 292 30 THR CA C 59.78 0.10 1 293 30 THR CB C 70.22 0.10 1 294 30 THR CG2 C 18.04 0.10 1 295 30 THR N N 118.49 0.10 1 296 31 SER H H 7.95 0.02 1 297 31 SER HA H 4.68 0.02 1 298 31 SER HB2 H 4.03 0.02 2 299 31 SER HB3 H 3.78 0.02 2 300 31 SER C C 174.90 0.10 1 301 31 SER CA C 57.30 0.10 1 302 31 SER CB C 64.05 0.10 1 303 31 SER N N 116.68 0.10 1 304 32 LEU H H 8.77 0.02 1 305 32 LEU HA H 4.42 0.02 1 306 32 LEU HB2 H 1.49 0.02 2 307 32 LEU HB3 H 1.92 0.02 2 308 32 LEU HG H 1.61 0.02 1 309 32 LEU HD1 H 0.85 0.02 2 310 32 LEU HD2 H 0.88 0.02 2 311 32 LEU C C 176.79 0.10 1 312 32 LEU CA C 53.46 0.10 1 313 32 LEU CB C 42.57 0.10 1 314 32 LEU CG C 27.13 0.10 1 315 32 LEU CD1 C 22.98 0.10 2 316 32 LEU CD2 C 26.13 0.10 2 317 32 LEU N N 125.76 0.10 1 318 33 PRO HA H 4.54 0.02 1 319 33 PRO HB2 H 2.05 0.02 2 320 33 PRO HG2 H 1.95 0.02 2 321 33 PRO HG3 H 1.78 0.02 2 322 33 PRO HD2 H 3.60 0.02 2 323 33 PRO HD3 H 3.73 0.02 2 324 33 PRO C C 175.70 0.10 1 325 33 PRO CA C 63.54 0.10 1 326 33 PRO CB C 30.64 0.10 1 327 33 PRO CG C 26.86 0.10 1 328 33 PRO CD C 50.56 0.10 1 329 34 LEU H H 6.93 0.02 1 330 34 LEU HA H 3.86 0.02 1 331 34 LEU HB2 H 1.13 0.02 2 332 34 LEU HB3 H 0.91 0.02 2 333 34 LEU HG H 1.18 0.02 1 334 34 LEU HD1 H 0.61 0.02 2 335 34 LEU HD2 H 0.57 0.02 2 336 34 LEU C C 175.72 0.10 1 337 34 LEU CA C 55.75 0.10 1 338 34 LEU CB C 42.93 0.10 1 339 34 LEU CG C 26.62 0.10 1 340 34 LEU CD1 C 24.83 0.10 2 341 34 LEU CD2 C 22.84 0.10 2 342 34 LEU N N 116.42 0.10 1 343 35 PHE H H 7.43 0.02 1 344 35 PHE HA H 4.51 0.02 1 345 35 PHE HB2 H 3.16 0.02 2 346 35 PHE HB3 H 2.71 0.02 2 347 35 PHE HD1 H 7.17 0.02 1 348 35 PHE HD2 H 7.17 0.02 1 349 35 PHE HE1 H 6.84 0.02 1 350 35 PHE HE2 H 6.84 0.02 1 351 35 PHE C C 175.30 0.10 1 352 35 PHE CA C 56.82 0.10 1 353 35 PHE CB C 41.56 0.10 1 354 35 PHE CD1 C 133.00 0.10 1 355 35 PHE CD2 C 133.00 0.10 1 356 35 PHE N N 115.66 0.10 1 357 36 ARG H H 9.11 0.02 1 358 36 ARG HA H 3.90 0.02 1 359 36 ARG HB2 H 1.62 0.02 2 360 36 ARG HG2 H 1.37 0.02 2 361 36 ARG HG3 H 1.48 0.02 2 362 36 ARG HD2 H 3.00 0.02 2 363 36 ARG C C 175.79 0.10 1 364 36 ARG CA C 58.15 0.10 1 365 36 ARG CB C 30.26 0.10 1 366 36 ARG CG C 26.58 0.10 1 367 36 ARG CD C 43.15 0.10 1 368 36 ARG N N 119.77 0.10 1 369 37 SER H H 7.62 0.02 1 370 37 SER HA H 4.61 0.02 1 371 37 SER HB2 H 3.75 0.02 2 372 37 SER C C 172.33 0.10 1 373 37 SER CA C 56.32 0.10 1 374 37 SER CB C 64.91 0.10 1 375 37 SER N N 111.76 0.10 1 376 38 LYS H H 8.18 0.02 1 377 38 LYS HA H 3.97 0.02 1 378 38 LYS HB2 H 1.61 0.02 2 379 38 LYS HG2 H 1.22 0.02 2 380 38 LYS HD2 H 1.51 0.02 2 381 38 LYS HE2 H 2.83 0.02 2 382 38 LYS C C 176.15 0.10 1 383 38 LYS CA C 56.86 0.10 1 384 38 LYS CB C 33.25 0.10 1 385 38 LYS CG C 24.55 0.10 1 386 38 LYS CD C 29.08 0.10 1 387 38 LYS CE C 41.92 0.10 1 388 38 LYS N N 117.65 0.10 1 389 39 GLN H H 7.55 0.02 1 390 39 GLN HA H 5.16 0.02 1 391 39 GLN HB2 H 1.90 0.02 2 392 39 GLN HB3 H 1.84 0.02 2 393 39 GLN HG2 H 2.08 0.02 2 394 39 GLN C C 173.69 0.10 1 395 39 GLN CA C 55.06 0.10 1 396 39 GLN CB C 30.89 0.10 1 397 39 GLN CG C 33.72 0.10 1 398 39 GLN N N 116.56 0.10 1 399 40 PHE H H 8.14 0.02 1 400 40 PHE HA H 4.79 0.02 1 401 40 PHE HB2 H 3.00 0.02 2 402 40 PHE HB3 H 3.21 0.02 2 403 40 PHE HD1 H 6.77 0.02 1 404 40 PHE HD2 H 6.77 0.02 1 405 40 PHE C C 171.53 0.10 1 406 40 PHE CA C 55.77 0.10 1 407 40 PHE CB C 39.24 0.10 1 408 40 PHE CD1 C 133.05 0.10 1 409 40 PHE CD2 C 133.05 0.10 1 410 40 PHE N N 121.85 0.10 1 411 41 ALA H H 8.32 0.02 1 412 41 ALA HA H 5.65 0.02 1 413 41 ALA HB H 1.16 0.02 1 414 41 ALA C C 176.33 0.10 1 415 41 ALA CA C 50.70 0.10 1 416 41 ALA CB C 23.46 0.10 1 417 41 ALA N N 119.57 0.10 1 418 42 VAL H H 8.56 0.02 1 419 42 VAL HA H 4.60 0.02 1 420 42 VAL HB H 1.91 0.02 1 421 42 VAL HG1 H 0.58 0.02 2 422 42 VAL HG2 H 0.54 0.02 2 423 42 VAL C C 173.69 0.10 1 424 42 VAL CA C 59.14 0.10 1 425 42 VAL CB C 36.57 0.10 1 426 42 VAL CG1 C 22.14 0.10 2 427 42 VAL CG2 C 17.41 0.10 2 428 42 VAL N N 113.05 0.10 1 429 43 LYS H H 8.55 0.02 1 430 43 LYS HA H 5.42 0.02 1 431 43 LYS HB2 H 1.50 0.02 2 432 43 LYS HB3 H 1.72 0.02 2 433 43 LYS HG2 H 1.41 0.02 2 434 43 LYS HG3 H 1.17 0.02 2 435 43 LYS HD2 H 1.49 0.02 2 436 43 LYS HE2 H 2.81 0.02 2 437 43 LYS C C 177.15 0.10 1 438 43 LYS CA C 54.73 0.10 1 439 43 LYS CB C 34.04 0.10 1 440 43 LYS CG C 24.80 0.10 1 441 43 LYS CD C 28.93 0.10 1 442 43 LYS CE C 41.85 0.10 1 443 43 LYS N N 119.64 0.10 1 444 44 ARG H H 9.29 0.02 1 445 44 ARG HA H 4.99 0.02 1 446 44 ARG HB2 H 1.59 0.02 2 447 44 ARG HB3 H 1.53 0.02 2 448 44 ARG HG2 H 1.55 0.02 2 449 44 ARG HD2 H 2.83 0.02 2 450 44 ARG HE H 6.44 0.02 1 451 44 ARG C C 174.48 0.10 1 452 44 ARG CA C 52.49 0.10 1 453 44 ARG CB C 35.09 0.10 1 454 44 ARG CG C 29.04 0.10 1 455 44 ARG CD C 42.03 0.10 1 456 44 ARG N N 121.92 0.10 1 457 44 ARG NE N 84.95 0.10 1 458 45 ARG H H 9.64 0.02 1 459 45 ARG HA H 5.60 0.02 1 460 45 ARG HB2 H 2.12 0.02 2 461 45 ARG HB3 H 2.19 0.02 2 462 45 ARG HG2 H 1.65 0.02 2 463 45 ARG HG3 H 1.85 0.02 2 464 45 ARG HD2 H 2.64 0.02 2 465 45 ARG HD3 H 2.80 0.02 2 466 45 ARG C C 178.03 0.10 1 467 45 ARG CA C 53.99 0.10 1 468 45 ARG CB C 33.75 0.10 1 469 45 ARG CG C 25.18 0.10 1 470 45 ARG CD C 43.73 0.10 1 471 45 ARG N N 120.56 0.10 1 472 46 PHE H H 10.37 0.02 1 473 46 PHE HA H 4.37 0.02 1 474 46 PHE HB2 H 3.39 0.02 2 475 46 PHE HB3 H 3.58 0.02 2 476 46 PHE C C 178.08 0.10 1 477 46 PHE CA C 63.41 0.10 1 478 46 PHE CB C 39.14 0.10 1 479 46 PHE N N 124.36 0.10 1 480 47 SER H H 9.17 0.02 1 481 47 SER C C 177.51 0.10 1 482 47 SER CA C 61.75 0.10 1 483 47 SER N N 112.01 0.10 1 484 48 ASP H H 7.96 0.02 1 485 48 ASP HA H 4.59 0.02 1 486 48 ASP HB2 H 2.83 0.02 2 487 48 ASP HB3 H 3.16 0.02 2 488 48 ASP C C 179.48 0.10 1 489 48 ASP CA C 57.54 0.10 1 490 48 ASP CB C 41.54 0.10 1 491 48 ASP N N 122.02 0.10 1 492 49 PHE H H 8.06 0.02 1 493 49 PHE HA H 3.86 0.02 1 494 49 PHE HB2 H 3.23 0.02 2 495 49 PHE HB3 H 2.41 0.02 2 496 49 PHE HD1 H 7.43 0.02 1 497 49 PHE HD2 H 7.43 0.02 1 498 49 PHE HE1 H 7.13 0.02 1 499 49 PHE HE2 H 7.13 0.02 1 500 49 PHE HZ H 7.00 0.02 1 501 49 PHE C C 177.09 0.10 1 502 49 PHE CA C 61.75 0.10 1 503 49 PHE CB C 38.16 0.10 1 504 49 PHE CD1 C 132.55 0.10 1 505 49 PHE CD2 C 132.55 0.10 1 506 49 PHE CE1 C 131.60 0.10 1 507 49 PHE CE2 C 131.60 0.10 1 508 49 PHE N N 119.83 0.10 1 509 50 LEU H H 7.36 0.02 1 510 50 LEU HA H 3.86 0.02 1 511 50 LEU HB2 H 1.47 0.02 2 512 50 LEU HB3 H 1.54 0.02 2 513 50 LEU HG H 1.18 0.02 1 514 50 LEU HD1 H 0.65 0.02 2 515 50 LEU HD2 H 0.76 0.02 2 516 50 LEU C C 178.60 0.10 1 517 50 LEU CA C 57.81 0.10 1 518 50 LEU CB C 40.93 0.10 1 519 50 LEU CG C 26.36 0.10 1 520 50 LEU CD1 C 23.11 0.10 2 521 50 LEU CD2 C 24.41 0.10 2 522 50 LEU N N 118.34 0.10 1 523 51 GLY H H 8.15 0.02 1 524 51 GLY HA2 H 3.85 0.02 2 525 51 GLY HA3 H 3.89 0.02 2 526 51 GLY C C 175.58 0.10 1 527 51 GLY CA C 46.96 0.10 1 528 51 GLY N N 105.85 0.10 1 529 52 LEU H H 7.58 0.02 1 530 52 LEU HA H 4.08 0.02 1 531 52 LEU HB2 H 1.61 0.02 2 532 52 LEU HB3 H 1.14 0.02 2 533 52 LEU HG H 1.16 0.02 1 534 52 LEU HD1 H 0.56 0.02 2 535 52 LEU HD2 H -0.11 0.02 2 536 52 LEU C C 177.25 0.10 1 537 52 LEU CA C 57.78 0.10 1 538 52 LEU CB C 40.97 0.10 1 539 52 LEU CG C 26.36 0.10 1 540 52 LEU CD1 C 22.28 0.10 2 541 52 LEU CD2 C 23.45 0.10 2 542 52 LEU N N 122.24 0.10 1 543 53 TYR H H 7.81 0.02 1 544 53 TYR HA H 3.85 0.02 1 545 53 TYR HB2 H 3.06 0.02 2 546 53 TYR HB3 H 3.33 0.02 2 547 53 TYR HD1 H 6.92 0.02 1 548 53 TYR HD2 H 6.92 0.02 1 549 53 TYR HE1 H 6.65 0.02 1 550 53 TYR HE2 H 6.65 0.02 1 551 53 TYR C C 177.22 0.10 1 552 53 TYR CA C 61.54 0.10 1 553 53 TYR CB C 37.43 0.10 1 554 53 TYR CD1 C 133.18 0.10 1 555 53 TYR CD2 C 133.18 0.10 1 556 53 TYR CE1 C 118.20 0.10 1 557 53 TYR CE2 C 118.20 0.10 1 558 53 TYR N N 117.83 0.10 1 559 54 GLU H H 8.35 0.02 1 560 54 GLU HA H 3.44 0.02 1 561 54 GLU HB2 H 2.02 0.02 2 562 54 GLU HB3 H 1.93 0.02 2 563 54 GLU HG2 H 2.41 0.02 2 564 54 GLU HG3 H 2.15 0.02 2 565 54 GLU C C 178.64 0.10 1 566 54 GLU CA C 59.71 0.10 1 567 54 GLU CB C 29.24 0.10 1 568 54 GLU CG C 36.22 0.10 1 569 54 GLU N N 119.58 0.10 1 570 55 LYS H H 7.73 0.02 1 571 55 LYS HA H 3.93 0.02 1 572 55 LYS HB2 H 1.82 0.02 2 573 55 LYS HB3 H 1.71 0.02 2 574 55 LYS HG2 H 1.31 0.02 2 575 55 LYS HG3 H 1.49 0.02 2 576 55 LYS HD2 H 1.51 0.02 2 577 55 LYS HD3 H 1.55 0.02 2 578 55 LYS HE2 H 2.83 0.02 2 579 55 LYS C C 179.43 0.10 1 580 55 LYS CA C 59.07 0.10 1 581 55 LYS CB C 32.57 0.10 1 582 55 LYS CG C 25.10 0.10 1 583 55 LYS CE C 41.87 0.10 1 584 55 LYS N N 117.99 0.10 1 585 56 LEU H H 8.47 0.02 1 586 56 LEU HA H 3.92 0.02 1 587 56 LEU HB2 H 1.65 0.02 2 588 56 LEU HB3 H 1.18 0.02 2 589 56 LEU HG H 1.82 0.02 1 590 56 LEU HD1 H 0.73 0.02 2 591 56 LEU HD2 H 0.63 0.02 2 592 56 LEU C C 179.19 0.10 1 593 56 LEU CA C 57.38 0.10 1 594 56 LEU CB C 42.35 0.10 1 595 56 LEU CG C 26.66 0.10 1 596 56 LEU CD1 C 21.91 0.10 2 597 56 LEU CD2 C 25.19 0.10 2 598 56 LEU N N 116.69 0.10 1 599 57 SER H H 8.50 0.02 1 600 57 SER HA H 3.69 0.02 1 601 57 SER HB2 H 3.28 0.02 2 602 57 SER HB3 H 3.44 0.02 2 603 57 SER C C 176.03 0.10 1 604 57 SER CA C 61.25 0.10 1 605 57 SER CB C 62.57 0.10 1 606 57 SER N N 113.95 0.10 1 607 58 GLU H H 7.33 0.02 1 608 58 GLU HA H 3.98 0.02 1 609 58 GLU HB2 H 1.93 0.02 2 610 58 GLU HG2 H 2.23 0.02 2 611 58 GLU C C 177.33 0.10 1 612 58 GLU CA C 58.18 0.10 1 613 58 GLU CB C 29.68 0.10 1 614 58 GLU CG C 35.86 0.10 1 615 58 GLU N N 119.15 0.10 1 616 59 LYS H H 7.26 0.02 1 617 59 LYS HA H 4.06 0.02 1 618 59 LYS HB2 H 1.55 0.02 2 619 59 LYS HG2 H 1.17 0.02 2 620 59 LYS HG3 H 1.28 0.02 2 621 59 LYS HD2 H 1.56 0.02 2 622 59 LYS HE2 H 2.88 0.02 2 623 59 LYS C C 177.04 0.10 1 624 59 LYS CA C 57.60 0.10 1 625 59 LYS CB C 33.14 0.10 1 626 59 LYS CG C 24.54 0.10 1 627 59 LYS CD C 29.23 0.10 1 628 59 LYS CE C 42.02 0.10 1 629 59 LYS N N 115.89 0.10 1 630 60 HIS H H 7.95 0.02 1 631 60 HIS HA H 4.54 0.02 1 632 60 HIS HB2 H 3.00 0.02 2 633 60 HIS HB3 H 2.94 0.02 2 634 60 HIS C C 175.85 0.10 1 635 60 HIS CA C 56.82 0.10 1 636 60 HIS CB C 30.55 0.10 1 637 60 HIS N N 115.93 0.10 1 638 61 SER H H 8.04 0.02 1 639 61 SER HA H 4.03 0.02 1 640 61 SER HB2 H 3.75 0.02 2 641 61 SER HB3 H 3.62 0.02 2 642 61 SER C C 175.24 0.10 1 643 61 SER CA C 60.01 0.10 1 644 61 SER CB C 63.00 0.10 1 645 61 SER N N 115.82 0.10 1 646 62 GLN H H 8.34 0.02 1 647 62 GLN HA H 4.35 0.02 1 648 62 GLN HB2 H 1.86 0.02 2 649 62 GLN HB3 H 2.06 0.02 2 650 62 GLN HG2 H 2.24 0.02 2 651 62 GLN C C 175.72 0.10 1 652 62 GLN CA C 56.35 0.10 1 653 62 GLN CB C 28.84 0.10 1 654 62 GLN CG C 33.52 0.10 1 655 62 GLN N N 119.75 0.10 1 656 63 ASN H H 8.15 0.02 1 657 63 ASN HA H 4.42 0.02 1 658 63 ASN HB2 H 2.75 0.02 2 659 63 ASN HB3 H 2.54 0.02 2 660 63 ASN C C 175.42 0.10 1 661 63 ASN CA C 53.29 0.10 1 662 63 ASN CB C 38.95 0.10 1 663 63 ASN N N 116.62 0.10 1 664 64 GLY H H 8.22 0.02 1 665 64 GLY HA2 H 3.83 0.02 2 666 64 GLY C C 173.24 0.10 1 667 64 GLY CA C 45.69 0.10 1 668 64 GLY N N 107.58 0.10 1 669 65 PHE H H 7.76 0.02 1 670 65 PHE HA H 4.60 0.02 1 671 65 PHE HB2 H 2.85 0.02 2 672 65 PHE HD1 H 6.94 0.02 1 673 65 PHE HD2 H 6.94 0.02 1 674 65 PHE HE1 H 6.77 0.02 1 675 65 PHE HE2 H 6.77 0.02 1 676 65 PHE C C 175.28 0.10 1 677 65 PHE CA C 57.45 0.10 1 678 65 PHE CB C 39.76 0.10 1 679 65 PHE CD1 C 130.65 0.10 1 680 65 PHE CD2 C 130.65 0.10 1 681 65 PHE CE1 C 128.77 0.10 1 682 65 PHE CE2 C 128.77 0.10 1 683 65 PHE N N 119.56 0.10 1 684 66 ILE H H 7.95 0.02 1 685 66 ILE HA H 4.05 0.02 1 686 66 ILE HB H 1.60 0.02 1 687 66 ILE HG12 H 1.16 0.02 2 688 66 ILE HG13 H 0.88 0.02 2 689 66 ILE HG2 H 0.61 0.02 1 690 66 ILE HD1 H 0.60 0.02 1 691 66 ILE C C 176.21 0.10 1 692 66 ILE CA C 56.99 0.10 1 693 66 ILE CB C 39.48 0.10 1 694 66 ILE CG1 C 26.74 0.10 1 695 66 ILE CG2 C 16.99 0.10 1 696 66 ILE CD1 C 12.50 0.10 1 697 66 ILE N N 120.45 0.10 1 698 67 VAL H H 8.44 0.02 1 699 67 VAL HA H 4.22 0.02 1 700 67 VAL HB H 1.92 0.02 1 701 67 VAL HG1 H 0.86 0.02 2 702 67 VAL C C 174.82 0.10 1 703 67 VAL CA C 54.83 0.10 1 704 67 VAL CB C 41.28 0.10 1 705 67 VAL CG1 C 20.61 0.10 2 706 67 VAL N N 120.40 0.10 1 707 71 PRO HA H 4.26 0.02 1 708 71 PRO HB2 H 2.18 0.02 2 709 71 PRO HB3 H 1.85 0.02 2 710 71 PRO HG2 H 1.91 0.02 2 711 71 PRO HD2 H 3.72 0.02 2 712 71 PRO C C 173.94 0.10 1 713 71 PRO CA C 59.05 0.10 1 714 71 PRO CB C 63.73 0.10 1 715 71 PRO CG C 26.87 0.10 1 716 71 PRO CD C 50.53 0.10 1 717 72 GLU H H 8.20 0.02 1 718 72 GLU HA H 4.12 0.02 1 719 72 GLU HB2 H 1.92 0.02 2 720 72 GLU HB3 H 1.81 0.02 2 721 72 GLU HG2 H 2.12 0.02 2 722 72 GLU C C 174.21 0.10 1 723 72 GLU CA C 55.48 0.10 1 724 72 GLU CB C 29.76 0.10 1 725 72 GLU CG C 36.10 0.10 1 726 72 GLU N N 120.90 0.10 1 727 73 LYS H H 8.02 0.02 1 728 73 LYS C C 178.69 0.10 1 729 73 LYS CA C 56.02 0.10 1 730 73 LYS CB C 37.01 0.10 1 731 73 LYS N N 124.98 0.10 1 732 74 SER H H 8.16 0.02 1 733 74 SER C C 174.12 0.10 1 734 74 SER CA C 58.53 0.10 1 735 74 SER CB C 63.53 0.10 1 736 74 SER N N 114.82 0.10 1 737 75 LEU H H 8.07 0.02 1 738 75 LEU HA H 4.24 0.02 1 739 75 LEU HB2 H 1.53 0.02 2 740 75 LEU HB3 H 1.48 0.02 2 741 75 LEU HG H 1.52 0.02 1 742 75 LEU HD1 H 0.81 0.02 2 743 75 LEU HD2 H 0.76 0.02 2 744 75 LEU C C 176.93 0.10 1 745 75 LEU CA C 55.32 0.10 1 746 75 LEU CB C 42.24 0.10 1 747 75 LEU CG C 26.71 0.10 1 748 75 LEU CD1 C 24.56 0.10 2 749 75 LEU CD2 C 23.18 0.10 2 750 75 LEU N N 122.76 0.10 1 751 76 ILE H H 7.79 0.02 1 752 76 ILE HA H 3.93 0.02 1 753 76 ILE HB H 1.72 0.02 1 754 76 ILE HG12 H 1.03 0.02 2 755 76 ILE HG13 H 1.31 0.02 2 756 76 ILE HG2 H 0.72 0.02 1 757 76 ILE HD1 H 0.67 0.02 1 758 76 ILE C C 176.23 0.10 1 759 76 ILE CA C 61.59 0.10 1 760 76 ILE CB C 38.43 0.10 1 761 76 ILE CG1 C 27.35 0.10 1 762 76 ILE CG2 C 17.28 0.10 1 763 76 ILE CD1 C 12.86 0.10 1 764 76 ILE N N 118.88 0.10 1 765 77 GLY H H 8.30 0.02 1 766 77 GLY C C 173.87 0.10 1 767 77 GLY CA C 45.34 0.10 1 768 77 GLY N N 111.00 0.10 1 769 78 MET H H 8.03 0.02 1 770 78 MET C C 175.96 0.10 1 771 78 MET CA C 55.61 0.10 1 772 78 MET CB C 32.95 0.10 1 773 78 MET N N 118.77 0.10 1 774 79 THR H H 7.99 0.02 1 775 79 THR C C 173.87 0.10 1 776 79 THR CA C 61.94 0.10 1 777 79 THR CB C 69.75 0.10 1 778 79 THR N N 113.61 0.10 1 779 80 LYS H H 8.20 0.02 1 780 80 LYS HA H 4.22 0.02 1 781 80 LYS HB2 H 1.72 0.02 2 782 80 LYS HB3 H 1.64 0.02 2 783 80 LYS HG2 H 1.30 0.02 2 784 80 LYS HD2 H 1.55 0.02 2 785 80 LYS HE2 H 2.87 0.02 2 786 80 LYS C C 175.88 0.10 1 787 80 LYS CA C 56.37 0.10 1 788 80 LYS CB C 32.83 0.10 1 789 80 LYS CG C 24.54 0.10 1 790 80 LYS CD C 28.95 0.10 1 791 80 LYS CE C 41.99 0.10 1 792 80 LYS N N 122.13 0.10 1 793 81 VAL H H 7.90 0.02 1 794 81 VAL HA H 3.98 0.02 1 795 81 VAL HB H 1.93 0.02 1 796 81 VAL HG1 H 0.81 0.02 2 797 81 VAL HG2 H 0.78 0.02 2 798 81 VAL C C 175.33 0.10 1 799 81 VAL CA C 62.13 0.10 1 800 81 VAL CB C 32.78 0.10 1 801 81 VAL CG1 C 20.63 0.10 2 802 81 VAL CG2 C 20.66 0.10 2 803 81 VAL N N 119.59 0.10 1 804 82 LYS H H 8.27 0.02 1 805 82 LYS HA H 4.21 0.02 1 806 82 LYS HB2 H 1.63 0.02 2 807 82 LYS HB3 H 1.71 0.02 2 808 82 LYS HG2 H 1.31 0.02 2 809 82 LYS HD2 H 1.56 0.02 2 810 82 LYS HE2 H 2.88 0.02 2 811 82 LYS C C 175.70 0.10 1 812 82 LYS CA C 56.09 0.10 1 813 82 LYS CB C 33.08 0.10 1 814 82 LYS CG C 24.53 0.10 1 815 82 LYS CD C 28.85 0.10 1 816 82 LYS CE C 41.99 0.10 1 817 82 LYS N N 124.24 0.10 1 818 83 VAL H H 8.08 0.02 1 819 83 VAL HA H 3.98 0.02 1 820 83 VAL HB H 1.93 0.02 1 821 83 VAL HG1 H 0.81 0.02 1 822 83 VAL HG2 H 0.81 0.02 1 823 83 VAL C C 175.96 0.10 1 824 83 VAL CA C 62.34 0.10 1 825 83 VAL CB C 32.75 0.10 1 826 83 VAL CG1 C 20.76 0.10 2 827 83 VAL CG2 C 20.64 0.10 2 828 83 VAL N N 120.71 0.10 1 829 84 GLY H H 8.47 0.02 1 830 84 GLY HA2 H 3.93 0.02 2 831 84 GLY HA3 H 3.73 0.02 2 832 84 GLY C C 173.51 0.10 1 833 84 GLY CA C 45.00 0.10 1 834 84 GLY N N 112.23 0.10 1 835 85 LYS H H 8.16 0.02 1 836 85 LYS HA H 4.23 0.02 1 837 85 LYS HB2 H 1.63 0.02 2 838 85 LYS HB3 H 1.71 0.02 2 839 85 LYS HG2 H 1.29 0.02 2 840 85 LYS HD2 H 1.55 0.02 2 841 85 LYS HE2 H 2.87 0.02 2 842 85 LYS C C 176.21 0.10 1 843 85 LYS CA C 56.15 0.10 1 844 85 LYS CB C 33.07 0.10 1 845 85 LYS CG C 24.42 0.10 1 846 85 LYS CD C 28.98 0.10 1 847 85 LYS CE C 42.15 0.10 1 848 85 LYS N N 120.06 0.10 1 849 86 GLU H H 8.50 0.02 1 850 86 GLU HA H 3.55 0.02 1 851 86 GLU HB2 H 2.42 0.02 2 852 86 GLU HG2 H 1.81 0.02 2 853 86 GLU HG3 H 2.14 0.02 2 854 86 GLU C C 175.58 0.10 1 855 86 GLU CA C 56.57 0.10 1 856 86 GLU CB C 30.11 0.10 1 857 86 GLU CG C 35.92 0.10 1 858 86 GLU N N 120.84 0.10 1 859 87 ASP H H 8.23 0.02 1 860 87 ASP C C 176.09 0.10 1 861 87 ASP CA C 53.99 0.10 1 862 87 ASP CB C 41.23 0.10 1 863 87 ASP N N 120.95 0.10 1 864 88 SER H H 8.20 0.02 1 865 88 SER C C 175.04 0.10 1 866 88 SER CA C 58.66 0.10 1 867 88 SER CB C 63.16 0.10 1 868 88 SER N N 116.38 0.10 1 869 89 SER H H 8.24 0.02 1 870 89 SER C C 174.25 0.10 1 871 89 SER CA C 58.63 0.10 1 872 89 SER CB C 64.04 0.10 1 873 89 SER N N 115.53 0.10 1 874 90 SER H H 8.11 0.02 1 875 90 SER HA H 4.68 0.02 1 876 90 SER HB2 H 3.78 0.02 2 877 90 SER HB3 H 4.02 0.02 2 878 90 SER C C 174.48 0.10 1 879 90 SER CA C 58.71 0.10 1 880 90 SER CB C 64.04 0.10 1 881 90 SER N N 117.70 0.10 1 882 91 ALA H H 8.64 0.02 1 883 91 ALA HA H 4.00 0.02 1 884 91 ALA HB H 1.40 0.02 1 885 91 ALA C C 180.12 0.10 1 886 91 ALA CA C 55.25 0.10 1 887 91 ALA CB C 18.22 0.10 1 888 91 ALA N N 124.60 0.10 1 889 92 GLU H H 8.53 0.02 1 890 92 GLU HA H 4.00 0.02 1 891 92 GLU HB2 H 1.89 0.02 2 892 92 GLU HG2 H 2.20 0.02 2 893 92 GLU C C 178.00 0.10 1 894 92 GLU CA C 59.38 0.10 1 895 92 GLU CB C 29.41 0.10 1 896 92 GLU CG C 36.42 0.10 1 897 92 GLU N N 117.70 0.10 1 898 93 PHE H H 7.88 0.02 1 899 93 PHE HA H 4.07 0.02 1 900 93 PHE HB2 H 3.10 0.02 2 901 93 PHE HD1 H 7.05 0.02 1 902 93 PHE HD2 H 7.05 0.02 1 903 93 PHE HE1 H 7.14 0.02 1 904 93 PHE HE2 H 7.14 0.02 1 905 93 PHE C C 177.33 0.10 1 906 93 PHE CA C 61.18 0.10 1 907 93 PHE CB C 39.19 0.10 1 908 93 PHE CD1 C 131.80 0.10 1 909 93 PHE CD2 C 131.80 0.10 1 910 93 PHE N N 120.85 0.10 1 911 94 LEU H H 8.27 0.02 1 912 94 LEU HA H 3.88 0.02 1 913 94 LEU HB2 H 1.84 0.02 2 914 94 LEU HB3 H 1.32 0.02 2 915 94 LEU HG H 1.81 0.02 1 916 94 LEU HD1 H 0.74 0.02 2 917 94 LEU HD2 H 0.82 0.02 2 918 94 LEU C C 178.52 0.10 1 919 94 LEU CA C 57.61 0.10 1 920 94 LEU CB C 41.32 0.10 1 921 94 LEU CG C 26.61 0.10 1 922 94 LEU CD1 C 25.20 0.10 2 923 94 LEU CD2 C 23.27 0.10 2 924 94 LEU N N 118.13 0.10 1 925 95 GLU H H 7.92 0.02 1 926 95 GLU HA H 4.42 0.02 1 927 95 GLU HB2 H 1.84 0.02 2 928 95 GLU HG2 H 2.44 0.02 2 929 95 GLU HG3 H 2.04 0.02 2 930 95 GLU C C 177.25 0.10 1 931 95 GLU CA C 57.62 0.10 1 932 95 GLU CB C 27.87 0.10 1 933 95 GLU CG C 34.24 0.10 1 934 95 GLU N N 119.34 0.10 1 935 96 LYS H H 7.75 0.02 1 936 96 LYS HA H 3.91 0.02 1 937 96 LYS HB2 H 1.73 0.02 2 938 96 LYS HB3 H 1.67 0.02 2 939 96 LYS HG2 H 1.30 0.02 2 940 96 LYS HG3 H 1.50 0.02 2 941 96 LYS HD2 H 1.53 0.02 2 942 96 LYS HE2 H 2.83 0.02 2 943 96 LYS C C 179.91 0.10 1 944 96 LYS CA C 59.32 0.10 1 945 96 LYS CB C 32.14 0.10 1 946 96 LYS CG C 25.41 0.10 1 947 96 LYS CD C 29.17 0.10 1 948 96 LYS CE C 41.98 0.10 1 949 96 LYS N N 118.32 0.10 1 950 97 ARG H H 7.80 0.02 1 951 97 ARG HA H 3.70 0.02 1 952 97 ARG HB2 H 1.75 0.02 2 953 97 ARG HB3 H 1.60 0.02 2 954 97 ARG HG2 H 1.28 0.02 2 955 97 ARG HD2 H 2.73 0.02 2 956 97 ARG C C 176.55 0.10 1 957 97 ARG CA C 58.72 0.10 1 958 97 ARG CB C 29.85 0.10 1 959 97 ARG CG C 26.10 0.10 1 960 97 ARG CD C 42.95 0.10 1 961 97 ARG N N 119.24 0.10 1 962 98 ARG H H 8.49 0.02 1 963 98 ARG HA H 3.93 0.02 1 964 98 ARG HB2 H 1.54 0.02 2 965 98 ARG HG2 H 1.31 0.02 2 966 98 ARG HG3 H 1.49 0.02 2 967 98 ARG HD2 H 2.83 0.02 2 968 98 ARG C C 177.25 0.10 1 969 98 ARG CA C 59.92 0.10 1 970 98 ARG CB C 29.61 0.10 1 971 98 ARG CG C 25.05 0.10 1 972 98 ARG CD C 41.93 0.10 1 973 98 ARG N N 119.96 0.10 1 974 99 ALA H H 8.35 0.02 1 975 99 ALA HA H 3.77 0.02 1 976 99 ALA HB H 1.36 0.02 1 977 99 ALA C C 179.94 0.10 1 978 99 ALA CA C 55.13 0.10 1 979 99 ALA CB C 18.33 0.10 1 980 99 ALA N N 118.51 0.10 1 981 100 ALA H H 7.69 0.02 1 982 100 ALA HA H 3.98 0.02 1 983 100 ALA HB H 1.30 0.02 1 984 100 ALA C C 180.95 0.10 1 985 100 ALA CA C 54.85 0.10 1 986 100 ALA CB C 18.43 0.10 1 987 100 ALA N N 119.57 0.10 1 988 101 LEU H H 8.49 0.02 1 989 101 LEU HA H 3.66 0.02 1 990 101 LEU HB2 H 1.32 0.02 2 991 101 LEU HB3 H 0.45 0.02 2 992 101 LEU HG H 1.24 0.02 1 993 101 LEU HD1 H -0.19 0.02 2 994 101 LEU HD2 H -0.30 0.02 2 995 101 LEU C C 177.45 0.10 1 996 101 LEU CA C 57.24 0.10 1 997 101 LEU CB C 40.76 0.10 1 998 101 LEU CG C 25.49 0.10 1 999 101 LEU CD1 C 20.44 0.10 2 1000 101 LEU CD2 C 23.92 0.10 2 1001 101 LEU N N 119.62 0.10 1 1002 102 GLU H H 8.39 0.02 1 1003 102 GLU HA H 3.62 0.02 1 1004 102 GLU HB2 H 2.22 0.02 2 1005 102 GLU HB3 H 1.95 0.02 2 1006 102 GLU HG2 H 1.92 0.02 2 1007 102 GLU HG3 H 2.11 0.02 2 1008 102 GLU C C 176.94 0.10 1 1009 102 GLU CA C 60.78 0.10 1 1010 102 GLU CB C 31.18 0.10 1 1011 102 GLU CG C 38.17 0.10 1 1012 102 GLU N N 120.88 0.10 1 1013 103 ARG H H 7.91 0.02 1 1014 103 ARG HA H 4.00 0.02 1 1015 103 ARG HB2 H 1.79 0.02 2 1016 103 ARG HB3 H 1.88 0.02 2 1017 103 ARG HG2 H 1.79 0.02 2 1018 103 ARG HG3 H 1.58 0.02 2 1019 103 ARG HD2 H 3.13 0.02 2 1020 103 ARG HD3 H 3.23 0.02 2 1021 103 ARG C C 178.46 0.10 1 1022 103 ARG CA C 59.25 0.10 1 1023 103 ARG CB C 30.30 0.10 1 1024 103 ARG CG C 27.70 0.10 1 1025 103 ARG CD C 43.34 0.10 1 1026 103 ARG N N 117.31 0.10 1 1027 104 TYR H H 7.78 0.02 1 1028 104 TYR HA H 4.16 0.02 1 1029 104 TYR HB2 H 3.02 0.02 2 1030 104 TYR HD1 H 6.90 0.02 1 1031 104 TYR HD2 H 6.90 0.02 1 1032 104 TYR HE1 H 6.47 0.02 1 1033 104 TYR HE2 H 6.47 0.02 1 1034 104 TYR C C 176.14 0.10 1 1035 104 TYR CA C 60.71 0.10 1 1036 104 TYR CB C 38.51 0.10 1 1037 104 TYR CD1 C 132.08 0.10 1 1038 104 TYR CD2 C 132.08 0.10 1 1039 104 TYR CE1 C 117.93 0.10 1 1040 104 TYR CE2 C 117.93 0.10 1 1041 104 TYR N N 118.77 0.10 1 1042 105 LEU H H 8.49 0.02 1 1043 105 LEU HA H 3.73 0.02 1 1044 105 LEU HB2 H 1.82 0.02 2 1045 105 LEU HB3 H 1.60 0.02 2 1046 105 LEU HG H 1.68 0.02 1 1047 105 LEU HD1 H 0.73 0.02 2 1048 105 LEU HD2 H 0.88 0.02 2 1049 105 LEU C C 178.20 0.10 1 1050 105 LEU CA C 56.99 0.10 1 1051 105 LEU CB C 42.55 0.10 1 1052 105 LEU CG C 26.56 0.10 1 1053 105 LEU CD1 C 22.79 0.10 2 1054 105 LEU CD2 C 26.38 0.10 2 1055 105 LEU N N 117.92 0.10 1 1056 106 GLN H H 8.37 0.02 1 1057 106 GLN HA H 3.72 0.02 1 1058 106 GLN HB2 H 2.14 0.02 2 1059 106 GLN HB3 H 1.81 0.02 2 1060 106 GLN HG2 H 2.42 0.02 2 1061 106 GLN HE21 H 7.26 0.02 1 1062 106 GLN HE22 H 6.85 0.02 1 1063 106 GLN C C 177.16 0.10 1 1064 106 GLN CA C 58.66 0.10 1 1065 106 GLN CB C 27.81 0.10 1 1066 106 GLN CG C 34.23 0.10 1 1067 106 GLN N N 116.16 0.10 1 1068 106 GLN NE2 N 111.65 0.10 1 1069 107 ARG H H 7.55 0.02 1 1070 107 ARG HA H 3.94 0.02 1 1071 107 ARG HB2 H 1.85 0.02 2 1072 107 ARG HG2 H 1.53 0.02 2 1073 107 ARG HD2 H 3.13 0.02 2 1074 107 ARG C C 178.41 0.10 1 1075 107 ARG CA C 58.86 0.10 1 1076 107 ARG CB C 29.93 0.10 1 1077 107 ARG CG C 27.34 0.10 1 1078 107 ARG CD C 43.29 0.10 1 1079 107 ARG N N 116.52 0.10 1 1080 108 ILE H H 7.34 0.02 1 1081 108 ILE HA H 3.56 0.02 1 1082 108 ILE HB H 1.80 0.02 1 1083 108 ILE HG12 H 0.66 0.02 2 1084 108 ILE HG13 H 1.15 0.02 2 1085 108 ILE HG2 H 0.53 0.02 1 1086 108 ILE HD1 H 0.30 0.02 1 1087 108 ILE C C 176.90 0.10 1 1088 108 ILE CA C 64.83 0.10 1 1089 108 ILE CB C 37.44 0.10 1 1090 108 ILE CG1 C 28.17 0.10 1 1091 108 ILE CG2 C 16.74 0.10 1 1092 108 ILE CD1 C 11.52 0.10 1 1093 108 ILE N N 117.07 0.10 1 1094 109 VAL H H 7.89 0.02 1 1095 109 VAL HA H 3.74 0.02 1 1096 109 VAL HB H 2.23 0.02 1 1097 109 VAL HG1 H 0.78 0.02 2 1098 109 VAL HG2 H 0.83 0.02 2 1099 109 VAL C C 174.87 0.10 1 1100 109 VAL CA C 64.13 0.10 1 1101 109 VAL CB C 30.95 0.10 1 1102 109 VAL CG1 C 21.33 0.10 2 1103 109 VAL CG2 C 19.37 0.10 2 1104 109 VAL N N 108.03 0.10 1 1105 110 ASN H H 7.29 0.02 1 1106 110 ASN HA H 4.62 0.02 1 1107 110 ASN HB2 H 2.62 0.02 2 1108 110 ASN HB3 H 2.72 0.02 2 1109 110 ASN HD21 H 7.41 0.02 1 1110 110 ASN HD22 H 6.53 0.02 1 1111 110 ASN C C 174.78 0.10 1 1112 110 ASN CA C 53.12 0.10 1 1113 110 ASN CB C 38.99 0.10 1 1114 110 ASN N N 114.76 0.10 1 1115 110 ASN ND2 N 110.72 0.10 1 1116 111 HIS H H 7.64 0.02 1 1117 111 HIS HA H 4.63 0.02 1 1118 111 HIS HB2 H 3.00 0.02 2 1119 111 HIS HB3 H 2.92 0.02 2 1120 111 HIS C C 174.31 0.10 1 1121 111 HIS CA C 54.89 0.10 1 1122 111 HIS CB C 31.43 0.10 1 1123 111 HIS N N 122.77 0.10 1 1124 112 PRO HA H 4.11 0.02 1 1125 112 PRO HB2 H 2.21 0.02 2 1126 112 PRO HG2 H 1.79 0.02 2 1127 112 PRO HD2 H 3.65 0.02 2 1128 112 PRO C C 176.46 0.10 1 1129 112 PRO CA C 65.23 0.10 1 1130 112 PRO CB C 31.68 0.10 1 1131 112 PRO CG C 27.24 0.10 1 1132 112 PRO CD C 50.01 0.10 1 1133 113 THR H H 7.88 0.02 1 1134 113 THR HA H 4.08 0.02 1 1135 113 THR HB H 4.10 0.02 1 1136 113 THR HG2 H 1.12 0.02 1 1137 113 THR C C 175.43 0.10 1 1138 113 THR CA C 59.72 0.10 1 1139 113 THR CB C 68.93 0.10 1 1140 113 THR CG2 C 22.40 0.10 1 1141 113 THR N N 120.04 0.10 1 1142 114 MET H H 8.08 0.02 1 1143 114 MET HA H 4.22 0.02 1 1144 114 MET HB2 H 2.01 0.02 2 1145 114 MET HG2 H 2.53 0.02 2 1146 114 MET HE H 1.58 0.02 1 1147 114 MET C C 176.18 0.10 1 1148 114 MET CA C 56.70 0.10 1 1149 114 MET CB C 30.24 0.10 1 1150 114 MET CG C 31.62 0.10 1 1151 114 MET CE C 18.44 0.10 1 1152 114 MET N N 119.23 0.10 1 1153 115 LEU H H 8.17 0.02 1 1154 115 LEU HA H 3.96 0.02 1 1155 115 LEU HB2 H 1.46 0.02 2 1156 115 LEU HB3 H 1.72 0.02 2 1157 115 LEU HG H 1.64 0.02 1 1158 115 LEU HD1 H 0.81 0.02 2 1159 115 LEU HD2 H 0.88 0.02 2 1160 115 LEU C C 176.09 0.10 1 1161 115 LEU CA C 56.90 0.10 1 1162 115 LEU CB C 41.01 0.10 1 1163 115 LEU CG C 26.78 0.10 1 1164 115 LEU CD1 C 24.55 0.10 2 1165 115 LEU CD2 C 25.01 0.10 2 1166 115 LEU N N 120.20 0.10 1 1167 116 GLN H H 7.09 0.02 1 1168 116 GLN HA H 4.07 0.02 1 1169 116 GLN HB2 H 2.16 0.02 2 1170 116 GLN HB3 H 1.86 0.02 2 1171 116 GLN HG2 H 2.25 0.02 2 1172 116 GLN C C 175.45 0.10 1 1173 116 GLN CA C 55.06 0.10 1 1174 116 GLN CB C 28.86 0.10 1 1175 116 GLN CG C 33.84 0.10 1 1176 116 GLN N N 110.28 0.10 1 1177 117 ASP H H 7.59 0.02 1 1178 117 ASP HA H 4.74 0.02 1 1179 117 ASP HB2 H 3.03 0.02 2 1180 117 ASP HB3 H 2.53 0.02 2 1181 117 ASP C C 174.91 0.10 1 1182 117 ASP CA C 52.23 0.10 1 1183 117 ASP CB C 43.35 0.10 1 1184 117 ASP N N 123.77 0.10 1 1185 118 PRO HA H 4.07 0.02 1 1186 118 PRO HB2 H 2.20 0.02 2 1187 118 PRO HG2 H 1.88 0.02 2 1188 118 PRO HG3 H 1.94 0.02 2 1189 118 PRO HD2 H 3.53 0.02 2 1190 118 PRO C C 178.43 0.10 1 1191 118 PRO CB C 32.05 0.10 1 1192 118 PRO CG C 27.13 0.10 1 1193 118 PRO CD C 50.91 0.10 1 1194 119 ASP H H 8.83 0.02 1 1195 119 ASP HA H 4.44 0.02 1 1196 119 ASP HB2 H 2.65 0.02 2 1197 119 ASP HB3 H 2.24 0.02 2 1198 119 ASP C C 179.31 0.10 1 1199 119 ASP CA C 57.93 0.10 1 1200 119 ASP CB C 40.71 0.10 1 1201 119 ASP N N 118.29 0.10 1 1202 120 VAL H H 7.93 0.02 1 1203 120 VAL HA H 3.40 0.02 1 1204 120 VAL HB H 2.46 0.02 1 1205 120 VAL HG1 H 0.92 0.02 2 1206 120 VAL HG2 H 0.69 0.02 2 1207 120 VAL C C 176.69 0.10 1 1208 120 VAL CA C 66.71 0.10 1 1209 120 VAL CB C 31.19 0.10 1 1210 120 VAL CG1 C 24.93 0.10 2 1211 120 VAL CG2 C 20.95 0.10 2 1212 120 VAL N N 122.82 0.10 1 1213 121 ARG H H 7.71 0.02 1 1214 121 ARG HA H 3.89 0.02 1 1215 121 ARG HB2 H 1.73 0.02 2 1216 121 ARG HG2 H 1.54 0.02 2 1217 121 ARG HG3 H 1.22 0.02 2 1218 121 ARG HD2 H 2.65 0.02 2 1219 121 ARG C C 177.76 0.10 1 1220 121 ARG CA C 61.06 0.10 1 1221 121 ARG CB C 29.10 0.10 1 1222 121 ARG CG C 27.00 0.10 1 1223 121 ARG CD C 43.13 0.10 1 1224 121 ARG N N 116.63 0.10 1 1225 122 GLU H H 8.15 0.02 1 1226 122 GLU HA H 4.00 0.02 1 1227 122 GLU HB2 H 1.96 0.02 2 1228 122 GLU HB3 H 2.08 0.02 2 1229 122 GLU HG2 H 2.40 0.02 2 1230 122 GLU HG3 H 2.14 0.02 2 1231 122 GLU C C 178.22 0.10 1 1232 122 GLU CA C 59.50 0.10 1 1233 122 GLU CB C 29.96 0.10 1 1234 122 GLU CG C 36.92 0.10 1 1235 122 GLU N N 116.61 0.10 1 1236 123 PHE H H 7.85 0.02 1 1237 123 PHE HA H 3.98 0.02 1 1238 123 PHE HB2 H 3.11 0.02 2 1239 123 PHE HB3 H 3.24 0.02 2 1240 123 PHE HD1 H 6.91 0.02 1 1241 123 PHE HD2 H 6.91 0.02 1 1242 123 PHE C C 176.69 0.10 1 1243 123 PHE CA C 62.09 0.10 1 1244 123 PHE CB C 39.31 0.10 1 1245 123 PHE CD1 C 132.17 0.10 1 1246 123 PHE CD2 C 132.17 0.10 1 1247 123 PHE N N 119.13 0.10 1 1248 124 LEU H H 7.72 0.02 1 1249 124 LEU HA H 4.03 0.02 1 1250 124 LEU HB2 H 1.61 0.02 2 1251 124 LEU HB3 H 1.91 0.02 2 1252 124 LEU HG H 2.07 0.02 1 1253 124 LEU HD1 H 0.79 0.02 1 1254 124 LEU HD2 H 0.79 0.02 1 1255 124 LEU C C 176.30 0.10 1 1256 124 LEU CA C 56.33 0.10 1 1257 124 LEU CB C 42.14 0.10 1 1258 124 LEU CG C 26.20 0.10 1 1259 124 LEU CD1 C 25.84 0.10 2 1260 124 LEU CD2 C 21.69 0.10 2 1261 124 LEU N N 113.75 0.10 1 1262 125 GLU H H 7.92 0.02 1 1263 125 GLU HA H 4.47 0.02 1 1264 125 GLU HB2 H 1.63 0.02 2 1265 125 GLU HG2 H 1.95 0.02 2 1266 125 GLU HG3 H 1.65 0.02 2 1267 125 GLU C C 177.06 0.10 1 1268 125 GLU CA C 56.42 0.10 1 1269 125 GLU CB C 33.96 0.10 1 1270 125 GLU CG C 36.26 0.10 1 1271 125 GLU N N 111.89 0.10 1 1272 126 LYS H H 8.28 0.02 1 1273 126 LYS HA H 4.05 0.02 1 1274 126 LYS HB2 H 1.74 0.02 2 1275 126 LYS HG2 H 1.30 0.02 2 1276 126 LYS HG3 H 1.21 0.02 2 1277 126 LYS HD2 H 1.51 0.02 2 1278 126 LYS HE2 H 2.83 0.02 2 1279 126 LYS C C 176.12 0.10 1 1280 126 LYS CA C 58.22 0.10 1 1281 126 LYS CB C 33.29 0.10 1 1282 126 LYS CG C 24.65 0.10 1 1283 126 LYS CD C 29.04 0.10 1 1284 126 LYS CE C 41.94 0.10 1 1285 126 LYS N N 120.54 0.10 1 1286 127 GLU H H 8.75 0.02 1 1287 127 GLU HA H 4.30 0.02 1 1288 127 GLU HB2 H 1.94 0.02 2 1289 127 GLU HB3 H 2.04 0.02 2 1290 127 GLU HG2 H 2.23 0.02 2 1291 127 GLU HG3 H 2.30 0.02 2 1292 127 GLU C C 175.00 0.10 1 1293 127 GLU CA C 57.09 0.10 1 1294 127 GLU CB C 31.15 0.10 1 1295 127 GLU CG C 36.64 0.10 1 1296 127 GLU N N 128.24 0.10 1 1297 128 GLU H H 7.96 0.02 1 1298 128 GLU HA H 4.03 0.02 1 1299 128 GLU HB2 H 1.81 0.02 2 1300 128 GLU HB3 H 1.93 0.02 2 1301 128 GLU HG2 H 2.10 0.02 2 1302 128 GLU C C 180.18 0.10 1 1303 128 GLU CA C 57.95 0.10 1 1304 128 GLU CB C 31.19 0.10 1 1305 128 GLU CG C 36.32 0.10 1 1306 128 GLU N N 125.48 0.10 1 stop_ save_