NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
614960 |
5izb   |
30042 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: x13_noe.tbl assign (resid 11 and name HN ) (resid 12 and name HN ) 3.50 1.13 1.70 !peak 20000 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.89 0.73 1.09 !peak 20003 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.54 1.16 1.74 !peak 20004 assign (resid 17 and name HN ) (resid 18 and name HN ) 3.35 1.04 1.55 !peak 20005 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.40 1.07 1.60 !peak 20006 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.95 0.77 1.15 !peak 20009 assign (resid 25 and name HN ) (resid 26 and name HN ) 2.71 0.61 0.91 !peak 20010 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.82 0.68 1.02 !peak 20013 assign (resid 30 and name HN ) (resid 47 and name HN ) 3.79 1.33 1.99 !peak 20015 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.49 1.13 1.69 !peak 20016 assign (resid 36 and name HN ) (resid 39 and name HN ) 3.62 1.21 1.82 !peak 20017 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.47 1.12 1.67 !peak 20018 assign (resid 29 and name HN ) (resid 47 and name HN ) 3.22 0.95 1.43 !peak 20019 assign (resid 48 and name HN ) (resid 51 and name HN ) 3.59 1.19 1.79 !peak 20020 assign (resid 48 and name HN ) (resid 52 and name HN ) 3.11 0.88 1.31 !peak 20021 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.74 1.29 1.94 !peak 20022 assign (resid 49 and name HN ) (resid 50 and name HN ) 3.23 0.96 1.43 !peak 20025 assign (resid 50 and name HN ) (resid 52 and name HN ) 3.38 1.05 1.58 !peak 20026 assign (resid 49 and name HN ) (resid 51 and name HN ) 3.76 1.31 1.96 !peak 20027 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.92 0.75 1.12 !peak 20029 assign (resid 51 and name HN ) (resid 52 and name HN ) 2.63 0.56 0.83 !peak 20032 assign (resid 52 and name HN ) (resid 53 and name HN ) 3.63 1.22 1.83 !peak 20033 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.53 1.15 1.72 !peak 20034 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.55 1.17 1.75 !peak 20037 assign (resid 55 and name HN ) (resid 56 and name HN ) 3.68 1.25 1.88 !peak 20038 assign (resid 59 and name HN ) (resid 60 and name HN ) 2.59 0.53 0.80 !peak 20040 assign (resid 57 and name HN ) (resid 60 and name HN ) 3.86 1.38 2.06 !peak 20041 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.86 0.71 1.06 !peak 20044 assign (resid 64 and name HN ) (resid 65 and name HN ) 2.87 0.71 1.07 !peak 20045 assign (resid 65 and name HN ) (resid 66 and name HN ) 2.86 0.71 1.06 !peak 20046 assign (resid 66 and name HN ) (resid 67 and name HN ) 2.94 0.76 1.14 !peak 20048 assign (resid 21 and name HN ) (resid 62 and name HE1 ) 4.30 1.67 2.51 !peak 20052 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.30 1.00 1.50 !peak 20054 assign (resid 12 and name HN ) (resid 13 and name HN ) 4.47 1.78 2.67 !peak 20055 assign (resid 57 and name HN ) (resid 57 and name HD22 ) 3.73 1.29 1.93 !peak 20056 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.90 0.73 1.10 !peak 20000 assign (resid 2 and name HG2* ) (resid 3 and name HN ) 3.01 0.81 1.22 !peak 20001 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.23 0.96 1.43 !peak 20002 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.23 0.96 1.43 !peak 20003 assign (resid 5 and name HN ) (resid 5 and name HB* ) 2.99 0.80 1.19 !peak 20004 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.76 1.31 1.96 !peak 20005 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.76 1.31 1.96 !peak 20006 assign (resid 60 and name HN ) (resid 60 and name HB* ) 2.64 0.56 0.84 !peak 20007 assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.41 1.08 1.61 !peak 20010 assign (resid 62 and name HN ) (resid 62 and name HB2 ) 3.41 1.08 1.61 !peak 20011 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 3.59 1.19 1.78 !peak 20013 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 3.59 1.19 1.78 !peak 20014 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.88 1.38 2.08 !peak 20018 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.88 1.38 2.08 !peak 20019 assign (resid 12 and name HB2 ) (resid 14 and name HN ) 3.67 1.25 1.87 !peak 20022 assign (resid 14 and name HN ) (resid 14 and name HB2 ) 3.41 1.08 1.61 !peak 20023 assign (resid 14 and name HN ) (resid 14 and name HB1 ) 3.41 1.08 1.61 !peak 20024 assign (resid 12 and name HB1 ) (resid 14 and name HN ) 3.67 1.25 1.87 !peak 20025 assign (resid 14 and name HN ) (resid 45 and name HG2* ) 4.34 1.69 2.54 !peak 20027 assign (resid 16 and name HA1 ) (resid 17 and name HN ) 2.84 0.69 1.04 !peak 20029 assign (resid 16 and name HA2 ) (resid 17 and name HN ) 2.84 0.69 1.04 !peak 20030 assign (resid 17 and name HN ) (resid 17 and name HB ) 3.17 0.92 1.37 !peak 20031 assign (resid 18 and name HN ) (resid 18 and name HG12 ) 3.38 1.06 1.58 !peak 20033 assign (resid 18 and name HN ) (resid 18 and name HG11 ) 3.14 0.89 1.34 !peak 20034 assign (resid 18 and name HB ) (resid 19 and name HN ) 4.26 1.64 2.46 !peak 20035 assign (resid 18 and name HG2* ) (resid 19 and name HN ) 4.34 1.69 2.54 !peak 20036 assign (resid 20 and name HN ) (resid 20 and name HB ) 3.11 0.87 1.30 !peak 20038 assign (resid 18 and name HB ) (resid 20 and name HN ) 3.25 0.96 1.45 !peak 20039 assign (resid 20 and name HN ) (resid 20 and name HG2* ) 2.99 0.79 1.18 !peak 20040 assign (resid 18 and name HG11 ) (resid 20 and name HN ) 3.82 1.35 2.02 !peak 20041 assign (resid 18 and name HG2* ) (resid 20 and name HN ) 3.11 0.88 1.31 !peak 20042 assign (resid 18 and name HD1* ) (resid 20 and name HN ) 3.35 1.04 1.55 !peak 20043 assign (resid 20 and name HB ) (resid 21 and name HN ) 2.84 0.69 1.04 !peak 20044 assign (resid 21 and name HN ) (resid 21 and name HB ) 2.72 0.62 0.92 !peak 20046 assign (resid 20 and name HG2* ) (resid 21 and name HN ) 3.07 0.85 1.27 !peak 20047 assign (resid 21 and name HN ) (resid 21 and name HG2* ) 3.15 0.90 1.35 !peak 20048 assign (resid 21 and name HN ) (resid 21 and name HG1* ) 3.15 0.90 1.35 !peak 20049 assign (resid 22 and name HB ) (resid 23 and name HN ) 3.44 1.10 1.64 !peak 20051 assign (resid 23 and name HN ) (resid 26 and name HG11 ) 3.95 1.44 2.15 !peak 20052 assign (resid 23 and name HN ) (resid 26 and name HG12 ) 3.95 1.44 2.15 !peak 20053 assign (resid 23 and name HN ) (resid 26 and name HD1* ) 3.13 0.89 1.34 !peak 20055 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 2.73 0.62 0.93 !peak 20057 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 2.73 0.62 0.93 !peak 20058 assign (resid 24 and name HN ) (resid 24 and name HG ) 2.90 0.73 1.10 !peak 20059 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 2.74 0.63 0.95 !peak 20060 assign (resid 23 and name HA1 ) (resid 25 and name HN ) 3.61 1.21 1.81 !peak 20064 assign (resid 23 and name HA2 ) (resid 25 and name HN ) 3.61 1.21 1.81 !peak 20065 assign (resid 25 and name HN ) (resid 25 and name HB2 ) 2.89 0.73 1.10 !peak 20066 assign (resid 25 and name HN ) (resid 25 and name HB1 ) 2.89 0.73 1.10 !peak 20067 assign (resid 24 and name HG ) (resid 25 and name HN ) 3.61 1.21 1.82 !peak 20068 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.12 0.88 1.32 !peak 20069 assign (resid 26 and name HN ) (resid 27 and name HB ) 3.43 1.09 1.64 !peak 20075 assign (resid 26 and name HN ) (resid 26 and name HG11 ) 3.20 0.94 1.40 !peak 20077 assign (resid 26 and name HN ) (resid 26 and name HG12 ) 3.20 0.94 1.40 !peak 20078 assign (resid 26 and name HN ) (resid 26 and name HG2* ) 2.88 0.72 1.08 !peak 20079 assign (resid 64 and name HE21 ) (resid 67 and name HD1* ) 3.47 1.11 1.66 !peak 20080 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.61 1.21 1.82 !peak 20081 assign (resid 26 and name HB ) (resid 27 and name HN ) 3.74 1.29 1.94 !peak 20083 assign (resid 27 and name HN ) (resid 27 and name HG11 ) 2.99 0.79 1.18 !peak 20084 assign (resid 27 and name HN ) (resid 27 and name HB ) 2.89 0.73 1.10 !peak 20085 assign (resid 26 and name HG11 ) (resid 27 and name HN ) 3.83 1.36 2.03 !peak 20086 assign (resid 26 and name HG12 ) (resid 27 and name HN ) 3.83 1.36 2.03 !peak 20087 assign (resid 27 and name HN ) (resid 27 and name HG12 ) 3.17 0.92 1.37 !peak 20088 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.87 0.71 1.07 !peak 20089 assign (resid 28 and name HN ) (resid 28 and name HB2 ) 3.19 0.92 1.39 !peak 20090 assign (resid 28 and name HN ) (resid 28 and name HB1 ) 3.19 0.92 1.39 !peak 20091 assign (resid 27 and name HG11 ) (resid 28 and name HN ) 4.07 1.52 2.27 !peak 20092 assign (resid 27 and name HG2* ) (resid 28 and name HN ) 3.02 0.82 1.22 !peak 20093 assign (resid 27 and name HG12 ) (resid 28 and name HN ) 3.85 1.37 2.05 !peak 20094 assign (resid 28 and name HN ) (resid 48 and name HG2* ) 3.89 1.40 2.09 !peak 20095 assign (resid 29 and name HN ) (resid 47 and name HA ) 3.76 1.31 1.96 !peak 20096 assign (resid 27 and name HA ) (resid 29 and name HN ) 3.61 1.21 1.81 !peak 20097 assign (resid 29 and name HN ) (resid 47 and name HB2 ) 3.61 1.21 1.82 !peak 20098 assign (resid 29 and name HN ) (resid 47 and name HB1 ) 3.61 1.21 1.82 !peak 20099 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.38 1.05 1.58 !peak 20100 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 3.38 1.05 1.58 !peak 20101 assign (resid 27 and name HG2* ) (resid 29 and name HN ) 3.13 0.88 1.33 !peak 20102 assign (resid 31 and name HN ) (resid 31 and name HG2 ) 3.34 1.02 1.54 !peak 20106 assign (resid 32 and name HN ) (resid 32 and name HB ) 2.99 0.80 1.19 !peak 20109 assign (resid 33 and name HN ) (resid 33 and name HB ) 3.58 1.19 1.78 !peak 20111 assign (resid 35 and name HA ) (resid 36 and name HN ) 3.00 0.80 1.20 !peak 20113 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 3.34 1.02 1.54 !peak 20114 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 3.34 1.02 1.54 !peak 20115 assign (resid 39 and name HN ) (resid 39 and name HB2 ) 3.41 1.08 1.61 !peak 20118 assign (resid 39 and name HN ) (resid 39 and name HB1 ) 3.41 1.08 1.61 !peak 20119 assign (resid 40 and name HB1 ) (resid 41 and name HN ) 3.75 1.30 1.95 !peak 20120 assign (resid 40 and name HG2 ) (resid 41 and name HN ) 3.61 1.21 1.81 !peak 20121 assign (resid 41 and name HN ) (resid 41 and name HG2 ) 3.13 0.89 1.34 !peak 20123 assign (resid 41 and name HN ) (resid 41 and name HG1 ) 3.13 0.89 1.34 !peak 20124 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 3.19 0.92 1.39 !peak 20125 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 3.19 0.92 1.39 !peak 20126 assign (resid 42 and name HN ) (resid 42 and name HG2* ) 3.64 1.23 1.85 !peak 20127 assign (resid 43 and name HN ) (resid 43 and name HB2 ) 3.59 1.19 1.78 !peak 20130 assign (resid 44 and name HN ) (resid 44 and name HB ) 3.26 0.98 1.46 !peak 20131 assign (resid 44 and name HN ) (resid 44 and name HG2* ) 3.04 0.83 1.24 !peak 20133 assign (resid 44 and name HN ) (resid 44 and name HG1* ) 3.57 1.18 1.77 !peak 20134 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.14 0.89 1.34 !peak 20135 assign (resid 45 and name HN ) (resid 45 and name HG1* ) 3.70 1.27 1.91 !peak 20136 assign (resid 46 and name HN ) (resid 46 and name HB ) 3.07 0.85 1.27 !peak 20137 assign (resid 47 and name HN ) (resid 47 and name HB2 ) 3.41 1.08 1.61 !peak 20140 assign (resid 47 and name HN ) (resid 47 and name HB1 ) 3.41 1.08 1.61 !peak 20141 assign (resid 46 and name HG2* ) (resid 47 and name HN ) 3.09 0.86 1.29 !peak 20142 assign (resid 47 and name HA ) (resid 48 and name HN ) 2.58 0.52 0.78 !peak 20144 assign (resid 48 and name HN ) (resid 51 and name HA ) 3.94 1.42 2.14 !peak 20145 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 3.73 1.29 1.93 !peak 20146 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 3.73 1.29 1.93 !peak 20147 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.90 0.73 1.10 !peak 20149 assign (resid 27 and name HA ) (resid 49 and name HN ) 3.78 1.32 1.98 !peak 20151 assign (resid 28 and name HB2 ) (resid 49 and name HN ) 4.00 1.46 2.20 !peak 20152 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 3.26 0.97 1.45 !peak 20153 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 2.87 0.71 1.07 !peak 20154 assign (resid 49 and name HN ) (resid 49 and name HG2 ) 3.33 1.02 1.53 !peak 20155 assign (resid 49 and name HN ) (resid 49 and name HG1 ) 3.33 1.02 1.53 !peak 20156 assign (resid 48 and name HG2* ) (resid 49 and name HN ) 3.18 0.92 1.38 !peak 20157 assign (resid 48 and name HG1 ) (resid 50 and name HN ) 3.84 1.36 2.04 !peak 20158 assign (resid 48 and name HA ) (resid 50 and name HN ) 3.95 1.44 2.15 !peak 20159 assign (resid 50 and name HN ) (resid 51 and name HA ) 3.56 1.17 1.76 !peak 20161 assign (resid 50 and name HN ) (resid 50 and name HG2 ) 3.53 1.15 1.72 !peak 20162 assign (resid 50 and name HN ) (resid 50 and name HG1 ) 3.53 1.15 1.72 !peak 20163 assign (resid 50 and name HN ) (resid 50 and name HB1 ) 3.28 0.98 1.48 !peak 20164 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 3.60 1.20 1.80 !peak 20165 assign (resid 50 and name HN ) (resid 50 and name HB2 ) 3.01 0.81 1.21 !peak 20166 assign (resid 48 and name HG2* ) (resid 50 and name HN ) 3.38 1.05 1.58 !peak 20167 assign (resid 48 and name HA ) (resid 51 and name HN ) 3.96 1.44 2.16 !peak 20168 assign (resid 51 and name HN ) (resid 51 and name HA ) 2.45 0.44 0.65 !peak 20169 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 3.71 1.27 1.91 !peak 20171 assign (resid 51 and name HN ) (resid 51 and name HB2 ) 3.20 0.94 1.40 !peak 20172 assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.20 0.94 1.40 !peak 20173 assign (resid 48 and name HG2* ) (resid 51 and name HN ) 3.84 1.36 2.04 !peak 20174 assign (resid 47 and name HA ) (resid 52 and name HN ) 3.76 1.31 1.96 !peak 20175 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.90 0.73 1.10 !peak 20176 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.81 1.34 2.01 !peak 20177 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.81 1.34 2.01 !peak 20178 assign (resid 50 and name HB2 ) (resid 52 and name HN ) 3.88 1.39 2.09 !peak 20179 assign (resid 53 and name HN ) (resid 53 and name HB ) 2.81 0.67 1.01 !peak 20181 assign (resid 52 and name HG1 ) (resid 53 and name HN ) 3.72 1.28 1.92 !peak 20182 assign (resid 54 and name HN ) (resid 54 and name HB ) 3.09 0.86 1.29 !peak 20184 assign (resid 54 and name HN ) (resid 54 and name HG11 ) 3.34 1.03 1.55 !peak 20185 assign (resid 54 and name HN ) (resid 54 and name HD1* ) 3.56 1.17 1.76 !peak 20186 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.63 0.56 0.83 !peak 20188 assign (resid 55 and name HN ) (resid 55 and name HB2 ) 3.20 0.93 1.39 !peak 20189 assign (resid 55 and name HN ) (resid 55 and name HB1 ) 3.20 0.93 1.39 !peak 20190 assign (resid 54 and name HB ) (resid 55 and name HN ) 3.28 0.98 1.48 !peak 20191 assign (resid 54 and name HG12 ) (resid 55 and name HN ) 3.36 1.04 1.56 !peak 20192 assign (resid 54 and name HG2* ) (resid 55 and name HN ) 2.86 0.71 1.06 !peak 20193 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.86 0.71 1.06 !peak 20194 assign (resid 56 and name HN ) (resid 56 and name HB ) 3.29 1.00 1.49 !peak 20196 assign (resid 56 and name HN ) (resid 56 and name HG1* ) 3.62 1.21 1.82 !peak 20197 assign (resid 44 and name HG1* ) (resid 56 and name HN ) 3.99 1.46 2.19 !peak 20198 assign (resid 57 and name HN ) (resid 60 and name HB* ) 3.67 1.25 1.87 !peak 20200 assign (resid 56 and name HG1* ) (resid 57 and name HN ) 2.86 0.71 1.06 !peak 20201 assign (resid 57 and name HN ) (resid 63 and name HD2* ) 3.92 1.42 2.12 !peak 20202 assign (resid 57 and name HB2 ) (resid 59 and name HN ) 3.97 1.44 2.17 !peak 20205 assign (resid 59 and name HN ) (resid 60 and name HB* ) 3.97 1.45 2.17 !peak 20207 assign (resid 57 and name HB2 ) (resid 60 and name HN ) 3.65 1.23 1.85 !peak 20209 assign (resid 57 and name HB1 ) (resid 60 and name HN ) 3.82 1.35 2.02 !peak 20210 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.43 1.09 1.63 !peak 20211 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.43 1.09 1.63 !peak 20212 assign (resid 60 and name HN ) (resid 63 and name HD2* ) 3.47 1.11 1.66 !peak 20213 assign (resid 60 and name HB* ) (resid 61 and name HN ) 3.91 1.41 2.11 !peak 20218 assign (resid 21 and name HA ) (resid 62 and name HE1 ) 3.38 1.05 1.58 !peak 20222 assign (resid 56 and name HG1* ) (resid 62 and name HE1 ) 3.47 1.11 1.66 !peak 20223 assign (resid 56 and name HG2* ) (resid 62 and name HE1 ) 3.68 1.25 1.88 !peak 20224 assign (resid 21 and name HG2* ) (resid 62 and name HE1 ) 3.80 1.33 2.00 !peak 20225 assign (resid 21 and name HG1* ) (resid 62 and name HE1 ) 3.80 1.33 2.00 !peak 20226 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 3.22 0.94 1.42 !peak 20227 assign (resid 60 and name HB* ) (resid 63 and name HN ) 3.40 1.07 1.60 !peak 20228 assign (resid 63 and name HN ) (resid 63 and name HB2 ) 3.40 1.07 1.60 !peak 20229 assign (resid 64 and name HN ) (resid 64 and name HG2 ) 3.12 0.88 1.32 !peak 20232 assign (resid 64 and name HN ) (resid 64 and name HG1 ) 3.12 0.88 1.32 !peak 20233 assign (resid 64 and name HN ) (resid 64 and name HB2 ) 2.93 0.75 1.13 !peak 20234 assign (resid 64 and name HN ) (resid 64 and name HB1 ) 2.93 0.75 1.13 !peak 20235 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 3.24 0.96 1.44 !peak 20236 assign (resid 63 and name HG ) (resid 64 and name HN ) 3.67 1.25 1.87 !peak 20237 assign (resid 63 and name HB2 ) (resid 64 and name HN ) 3.50 1.13 1.70 !peak 20238 assign (resid 64 and name HB2 ) (resid 65 and name HN ) 3.17 0.92 1.37 !peak 20241 assign (resid 64 and name HB1 ) (resid 65 and name HN ) 3.17 0.92 1.37 !peak 20243 assign (resid 65 and name HN ) (resid 65 and name HG2 ) 3.34 1.03 1.55 !peak 20244 assign (resid 65 and name HN ) (resid 65 and name HG1 ) 3.34 1.03 1.55 !peak 20245 assign (resid 66 and name HN ) (resid 66 and name HD1* ) 3.59 1.19 1.79 !peak 20248 assign (resid 66 and name HN ) (resid 66 and name HD2* ) 3.59 1.19 1.79 !peak 20249 assign (resid 63 and name HA ) (resid 67 and name HN ) 4.04 1.50 2.24 !peak 20252 assign (resid 63 and name HG ) (resid 67 and name HN ) 3.64 1.23 1.85 !peak 20255 assign (resid 67 and name HN ) (resid 67 and name HD2* ) 3.06 0.84 1.26 !peak 20257 assign (resid 63 and name HD1* ) (resid 67 and name HN ) 3.89 1.40 2.09 !peak 20258 assign (resid 69 and name HN ) (resid 69 and name HB2 ) 3.47 1.12 1.67 !peak 20263 assign (resid 69 and name HN ) (resid 69 and name HB1 ) 3.47 1.12 1.67 !peak 20264 assign (resid 67 and name HA ) (resid 71 and name HN ) 3.11 0.87 1.30 !peak 20269 assign (resid 56 and name HB ) (resid 57 and name HN ) 2.85 0.70 1.05 !peak 20272 assign (resid 57 and name HN ) (resid 57 and name HB1 ) 2.83 0.69 1.03 !peak 20273 assign (resid 57 and name HN ) (resid 57 and name HB2 ) 2.87 0.71 1.07 !peak 20274 assign (resid 47 and name HN ) (resid 47 and name HD1 ) 3.72 1.28 1.92 !peak 20275 assign (resid 54 and name HN ) (resid 54 and name HG12 ) 3.22 0.94 1.42 !peak 20276 assign (resid 54 and name HN ) (resid 54 and name HG2* ) 3.32 1.01 1.51 !peak 20277 assign (resid 55 and name HN ) (resid 56 and name HG1* ) 3.54 1.16 1.74 !peak 20278 assign (resid 48 and name HG2* ) (resid 54 and name HN ) 3.86 1.38 2.06 !peak 20279 assign (resid 58 and name HA ) (resid 60 and name HN ) 3.65 1.23 1.85 !peak 20280 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 3.12 0.88 1.32 !peak 20281 assign (resid 18 and name HN ) (resid 18 and name HB ) 2.89 0.73 1.10 !peak 20283 assign (resid 28 and name HN ) (resid 47 and name HB2 ) 4.19 1.60 2.39 !peak 20284 assign (resid 28 and name HN ) (resid 47 and name HB1 ) 4.19 1.60 2.39 !peak 20285 assign (resid 30 and name HB ) (resid 31 and name HN ) 3.43 1.09 1.64 !peak 20286 assign (resid 45 and name HG1* ) (resid 46 and name HN ) 3.16 0.90 1.36 !peak 20287 assign (resid 45 and name HG2* ) (resid 47 and name HE1 ) 3.86 1.38 2.06 !peak 20289 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.05 0.83 1.24 !peak 20292 assign (resid 18 and name HA ) (resid 20 and name HN ) 3.70 1.27 1.91 !peak 20294 assign (resid 5 and name HA ) (resid 32 and name HN ) 4.57 1.85 2.78 !peak 20300 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.03 0.82 1.23 !peak 20302 assign (resid 29 and name HA ) (resid 47 and name HN ) 3.74 1.29 1.94 !peak 20303 assign (resid 48 and name HN ) (resid 53 and name HA ) 3.59 1.19 1.78 !peak 20304 assign (resid 51 and name HN ) (resid 52 and name HA ) 3.80 1.33 2.00 !peak 20307 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.94 0.76 1.14 !peak 20309 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.74 0.63 0.95 !peak 20311 assign (resid 48 and name HG1 ) (resid 52 and name HN ) 4.17 1.58 2.37 !peak 20315 assign (resid 57 and name HD21 ) (resid 59 and name HB2 ) 3.72 1.28 1.92 !peak 20322 assign (resid 31 and name HE22 ) (resid 45 and name HG2* ) 4.10 1.54 2.30 !peak 20324 assign (resid 57 and name HB2 ) (resid 57 and name HD22 ) 3.37 1.05 1.57 !peak 20326 assign (resid 57 and name HB1 ) (resid 57 and name HD22 ) 3.23 0.96 1.43 !peak 20327 assign (resid 57 and name HD22 ) (resid 60 and name HA ) 3.86 1.38 2.06 !peak 20328 assign (resid 57 and name HD22 ) (resid 59 and name HB2 ) 4.00 1.46 2.20 !peak 20329 assign (resid 57 and name HD22 ) (resid 59 and name HB1 ) 4.00 1.46 2.20 !peak 20330 assign (resid 57 and name HD22 ) (resid 60 and name HB* ) 3.70 1.27 1.91 !peak 20331 assign (resid 64 and name HA ) (resid 67 and name HN ) 3.73 1.29 1.93 !peak 20334 assign (resid 45 and name HA ) (resid 55 and name HA ) 3.55 1.17 1.76 !peak 20000 assign (resid 26 and name HA ) (resid 26 and name HD1* ) 3.85 1.37 2.05 !peak 20004 assign (resid 18 and name HA ) (resid 18 and name HD1* ) 3.79 1.33 1.99 !peak 20006 assign (resid 63 and name HA ) (resid 63 and name HD2* ) 3.92 1.42 2.12 !peak 20008 assign (resid 56 and name HG1* ) (resid 62 and name HZ2 ) 3.71 1.27 1.91 !peak 20010 assign (resid 56 and name HG1* ) (resid 62 and name HH2 ) 3.68 1.25 1.88 !peak 20011 assign (resid 17 and name HG1* ) (resid 56 and name HA ) 3.82 1.35 2.03 !peak 20013 assign (resid 56 and name HG2* ) (resid 62 and name HZ2 ) 3.76 1.31 1.97 !peak 20021 assign (resid 56 and name HA ) (resid 56 and name HG2* ) 3.32 1.02 1.52 !peak 20022 assign (resid 44 and name HA ) (resid 44 and name HG2* ) 3.11 0.88 1.31 !peak 20023 assign (resid 17 and name HG2* ) (resid 57 and name HB2 ) 4.28 1.65 2.47 !peak 20026 assign (resid 27 and name HA ) (resid 46 and name HG2* ) 3.80 1.33 2.00 !peak 20030 assign (resid 57 and name HB2 ) (resid 60 and name HB* ) 3.55 1.17 1.75 !peak 20034 assign (resid 26 and name HG2* ) (resid 48 and name HB ) 3.64 1.23 1.84 !peak 20037 assign (resid 2 and name HA ) (resid 2 and name HG2* ) 3.62 1.21 1.82 !peak 20039 assign (resid 30 and name HA ) (resid 30 and name HG2* ) 3.55 1.17 1.75 !peak 20040 assign (resid 26 and name HD1* ) (resid 48 and name HB ) 3.49 1.13 1.69 !peak 20044 assign (resid 27 and name HA ) (resid 48 and name HA ) 3.22 0.95 1.43 !peak 20046 assign (resid 48 and name HA ) (resid 48 and name HG2* ) 3.01 0.81 1.21 !peak 20047 assign (resid 47 and name HA ) (resid 53 and name HA ) 3.43 1.09 1.63 !peak 20048 assign (resid 24 and name HG ) (resid 27 and name HB ) 3.91 1.41 2.11 !peak 20076 assign (resid 26 and name HB ) (resid 48 and name HB ) 3.76 1.31 1.97 !peak 20081 assign (resid 28 and name HB2 ) (resid 49 and name HA ) 3.88 1.39 2.09 !peak 20090 assign (resid 44 and name HG1* ) (resid 56 and name HB ) 3.74 1.29 1.94 !peak 20122 assign (resid 50 and name HA ) (resid 50 and name HG1 ) 3.32 1.01 1.51 !peak 20135 assign (resid 42 and name HG2* ) (resid 58 and name HB1 ) 3.81 1.34 2.01 !peak 20152 assign (resid 44 and name HG2* ) (resid 58 and name HB1 ) 3.70 1.27 1.90 !peak 20153 assign (resid 44 and name HG2* ) (resid 58 and name HG1 ) 3.58 1.19 1.78 !peak 20198 assign (resid 44 and name HG2* ) (resid 58 and name HG2 ) 3.79 1.33 1.99 !peak 20205 assign (resid 18 and name HG2* ) (resid 18 and name HG12 ) 3.30 1.00 1.50 !peak 20215 assign (resid 62 and name HZ3 ) (resid 66 and name HD1* ) 3.68 1.25 1.88 !peak 20243 assign (resid 66 and name HA ) (resid 66 and name HD1* ) 3.61 1.21 1.82 !peak 20244 assign (resid 24 and name HA ) (resid 24 and name HD2* ) 3.57 1.18 1.77 !peak 20248 assign (resid 33 and name HA ) (resid 33 and name HG2* ) 3.43 1.09 1.63 !peak 20250 assign (resid 27 and name HA ) (resid 48 and name HG2* ) 3.80 1.33 1.99 !peak 20255 assign (resid 44 and name HG1* ) (resid 46 and name HA ) 3.80 1.33 1.99 !peak 20256 assign (resid 50 and name HA ) (resid 50 and name HG2 ) 3.32 1.01 1.51 !peak 20279 assign (resid 44 and name HG2* ) (resid 58 and name HA ) 3.24 0.96 1.44 !peak 20302 assign (resid 58 and name HA ) (resid 63 and name HD2* ) 3.41 1.07 1.61 !peak 20303 assign (resid 27 and name HA ) (resid 27 and name HG12 ) 3.64 1.23 1.84 !peak 20307 assign (resid 42 and name HA ) (resid 42 and name HG2* ) 3.21 0.94 1.41 !peak 20310 assign (resid 44 and name HA ) (resid 44 and name HG1* ) 3.36 1.04 1.56 !peak 20313 assign (resid 34 and name HA ) (resid 42 and name HA ) 3.55 1.17 1.76 !peak 20314 assign (resid 34 and name HA ) (resid 42 and name HG2* ) 3.57 1.18 1.77 !peak 20316 assign (resid 32 and name HA ) (resid 32 and name HG1* ) 3.20 0.94 1.40 !peak 20318 assign (resid 20 and name HA ) (resid 20 and name HG2* ) 2.99 0.80 1.19 !peak 20320 assign (resid 45 and name HG1* ) (resid 53 and name HA ) 3.88 1.38 2.08 !peak 20324 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 3.29 1.00 1.49 !peak 20328 assign (resid 45 and name HA ) (resid 45 and name HG1* ) 3.51 1.14 1.71 !peak 20329 assign (resid 26 and name HA ) (resid 26 and name HG2* ) 2.95 0.77 1.15 !peak 20333 assign (resid 54 and name HA ) (resid 54 and name HG12 ) 3.43 1.09 1.64 !peak 20340 assign (resid 54 and name HA ) (resid 54 and name HG2* ) 3.13 0.88 1.33 !peak 20341 assign (resid 54 and name HA ) (resid 54 and name HD1* ) 3.82 1.35 2.03 !peak 20342 assign (resid 18 and name HA ) (resid 18 and name HG2* ) 3.08 0.86 1.28 !peak 20346 assign (resid 17 and name HA ) (resid 55 and name HB2 ) 3.83 1.36 2.03 !peak 20347 assign (resid 17 and name HA ) (resid 55 and name HB1 ) 3.83 1.36 2.03 !peak 20348 assign (resid 56 and name HA ) (resid 56 and name HG1* ) 3.11 0.87 1.30 !peak 20353 assign (resid 64 and name HA ) (resid 67 and name HD1* ) 3.55 1.17 1.75 !peak 20360 assign (resid 28 and name HB1 ) (resid 49 and name HA ) 3.88 1.39 2.09 !peak 20362 assign (resid 49 and name HA ) (resid 49 and name HG2 ) 3.61 1.21 1.82 !peak 20365 assign (resid 49 and name HA ) (resid 49 and name HG1 ) 3.61 1.21 1.82 !peak 20366 assign (resid 66 and name HA ) (resid 69 and name HB2 ) 3.95 1.44 2.15 !peak 20371 assign (resid 24 and name HA ) (resid 27 and name HB ) 3.84 1.36 2.04 !peak 20374 assign (resid 24 and name HA ) (resid 27 and name HD1* ) 2.99 0.80 1.19 !peak 20378 assign (resid 67 and name HA ) (resid 67 and name HD2* ) 3.07 0.85 1.27 !peak 20386 assign (resid 63 and name HA ) (resid 63 and name HD1* ) 3.23 0.96 1.43 !peak 20390 assign (resid 28 and name HA ) (resid 49 and name HA ) 3.94 1.43 2.14 !peak 20393 assign (resid 52 and name HA ) (resid 52 and name HG1 ) 3.58 1.19 1.78 !peak 20407 assign (resid 57 and name HA ) (resid 58 and name HD2 ) 3.18 0.92 1.38 !peak 20413 assign (resid 57 and name HA ) (resid 58 and name HD1 ) 3.18 0.92 1.38 !peak 20414 assign (resid 4 and name HB2 ) (resid 31 and name HA ) 3.96 1.44 2.16 !peak 20424 assign (resid 18 and name HG2* ) (resid 20 and name HB ) 3.74 1.29 1.94 !peak 20427 assign (resid 17 and name HB ) (resid 56 and name HA ) 3.77 1.31 1.97 !peak 20434 assign (resid 50 and name HA ) (resid 50 and name HE* ) 3.85 1.37 2.05 !peak 20437 assign (resid 26 and name HB ) (resid 26 and name HD1* ) 3.23 0.96 1.43 !peak 20440 assign (resid 27 and name HB ) (resid 27 and name HD1* ) 3.32 1.02 1.52 !peak 20442 assign (resid 54 and name HB ) (resid 54 and name HD1* ) 3.07 0.85 1.28 !peak 20443 assign (resid 18 and name HB ) (resid 18 and name HD1* ) 3.17 0.92 1.37 !peak 20447 assign (resid 54 and name HG2* ) (resid 54 and name HD1* ) 2.78 0.65 0.97 !peak 20467 assign (resid 67 and name HB1 ) (resid 67 and name HD1* ) 3.42 1.08 1.62 !peak 20472 assign (resid 26 and name HD1* ) (resid 48 and name HG2* ) 2.82 0.68 1.02 !peak 20480 assign (resid 48 and name HG2* ) (resid 54 and name HD1* ) 2.95 0.77 1.15 !peak 20482 assign (resid 44 and name HG1* ) (resid 56 and name HG1* ) 3.38 1.06 1.58 !peak 20488 assign (resid 63 and name HG ) (resid 67 and name HD1* ) 3.41 1.07 1.61 !peak 20491 assign (resid 63 and name HB1 ) (resid 63 and name HD2* ) 3.62 1.21 1.82 !peak 20492 assign (resid 60 and name HB* ) (resid 63 and name HB1 ) 3.05 0.84 1.25 !peak 20501 assign (resid 27 and name HG11 ) (resid 46 and name HG2* ) 3.72 1.28 1.92 !peak 20503 assign (resid 18 and name HG12 ) (resid 54 and name HG2* ) 3.90 1.40 2.10 !peak 20504 assign (resid 30 and name HG2* ) (resid 63 and name HD1* ) 3.72 1.28 1.92 !peak 20505 assign (resid 46 and name HB ) (resid 46 and name HD1* ) 3.52 1.15 1.72 !peak 20507 assign (resid 30 and name HD1* ) (resid 66 and name HD1* ) 3.47 1.12 1.67 !peak 20508 assign (resid 18 and name HB ) (resid 54 and name HG2* ) 3.60 1.20 1.80 !peak 20511 assign (resid 26 and name HD1* ) (resid 48 and name CB ) 3.70 1.27 1.91 !peak 20000 assign (resid 26 and name CA ) (resid 26 and name HD1* ) 3.51 1.14 1.71 !peak 20001 assign (resid 27 and name CA ) (resid 30 and name HD1* ) 4.07 1.51 2.27 !peak 20003 assign (resid 30 and name CA ) (resid 30 and name HD1* ) 3.83 1.36 2.03 !peak 20004 assign (resid 30 and name HD1* ) (resid 67 and name CD2 ) 3.71 1.27 1.91 !peak 20006 assign (resid 30 and name CG2 ) (resid 30 and name HD1* ) 3.02 0.82 1.22 !peak 20007 assign (resid 27 and name CB ) (resid 30 and name HD1* ) 4.06 1.50 2.26 !peak 20008 assign (resid 27 and name CA ) (resid 27 and name HD1* ) 3.67 1.25 1.87 !peak 20009 assign (resid 54 and name CA ) (resid 54 and name HD1* ) 3.68 1.25 1.88 !peak 20010 assign (resid 54 and name CG2 ) (resid 54 and name HD1* ) 3.03 0.82 1.23 !peak 20011 assign (resid 46 and name CD1 ) (resid 63 and name HD2* ) 3.97 1.44 2.17 !peak 20014 assign (resid 63 and name CA ) (resid 63 and name HD2* ) 3.83 1.36 2.03 !peak 20015 assign (resid 63 and name HD2* ) (resid 67 and name CG ) 3.53 1.15 1.73 !peak 20017 assign (resid 44 and name CG2 ) (resid 63 and name HD2* ) 3.15 0.90 1.35 !peak 20019 assign (resid 60 and name CB ) (resid 63 and name HD2* ) 4.09 1.52 2.29 !peak 20020 assign (resid 63 and name CA ) (resid 63 and name HD1* ) 3.51 1.14 1.71 !peak 20021 assign (resid 63 and name HD1* ) (resid 67 and name CG ) 3.49 1.13 1.70 !peak 20023 assign (resid 30 and name CG2 ) (resid 63 and name HD1* ) 4.07 1.51 2.27 !peak 20024 assign (resid 46 and name CD1 ) (resid 63 and name HD1* ) 3.69 1.26 1.89 !peak 20025 assign (resid 56 and name HG1* ) (resid 63 and name CB ) 4.15 1.56 2.35 !peak 20027 assign (resid 46 and name CD1 ) (resid 56 and name HG1* ) 3.50 1.13 1.70 !peak 20029 assign (resid 16 and name CA ) (resid 17 and name HG1* ) 4.23 1.62 2.43 !peak 20032 assign (resid 45 and name HG1* ) (resid 53 and name CG1 ) 3.38 1.06 1.58 !peak 20036 assign (resid 56 and name HG2* ) (resid 63 and name CA ) 4.07 1.51 2.27 !peak 20038 assign (resid 56 and name HG2* ) (resid 63 and name CB ) 4.23 1.62 2.43 !peak 20039 assign (resid 44 and name HG2* ) (resid 58 and name CG ) 3.41 1.08 1.61 !peak 20040 assign (resid 17 and name HG2* ) (resid 57 and name CA ) 3.66 1.24 1.86 !peak 20046 assign (resid 16 and name CA ) (resid 17 and name HG2* ) 4.23 1.62 2.43 !peak 20047 assign (resid 27 and name CA ) (resid 46 and name HG2* ) 3.76 1.31 1.97 !peak 20050 assign (resid 18 and name HG2* ) (resid 18 and name CD1 ) 2.91 0.74 1.11 !peak 20055 assign (resid 58 and name CA ) (resid 60 and name HB* ) 4.00 1.46 2.20 !peak 20056 assign (resid 60 and name HB* ) (resid 63 and name CB ) 3.66 1.24 1.86 !peak 20058 assign (resid 60 and name HB* ) (resid 63 and name CD2 ) 3.94 1.43 2.14 !peak 20059 assign (resid 18 and name CB ) (resid 54 and name HG2* ) 4.04 1.50 2.24 !peak 20060 assign (resid 54 and name HG2* ) (resid 54 and name CD1 ) 2.89 0.73 1.10 !peak 20063 assign (resid 2 and name HG2* ) (resid 2 and name CD1 ) 3.24 0.96 1.44 !peak 20066 assign (resid 30 and name HG2* ) (resid 67 and name CD2 ) 3.83 1.36 2.03 !peak 20069 assign (resid 26 and name HG2* ) (resid 48 and name CB ) 3.77 1.31 1.97 !peak 20070 assign (resid 26 and name HG2* ) (resid 26 and name CD1 ) 2.92 0.75 1.12 !peak 20072 assign (resid 27 and name HG2* ) (resid 30 and name CG1 ) 3.21 0.94 1.41 !peak 20075 assign (resid 18 and name CG2 ) (resid 20 and name HG2* ) 3.69 1.26 1.89 !peak 20079 assign (resid 34 and name CA ) (resid 42 and name HG2* ) 3.84 1.36 2.04 !peak 20080 assign (resid 34 and name CB ) (resid 42 and name HG2* ) 4.10 1.54 2.30 !peak 20082 assign (resid 27 and name CA ) (resid 48 and name HG2* ) 3.96 1.44 2.16 !peak 20085 assign (resid 48 and name HG2* ) (resid 52 and name CB ) 3.48 1.12 1.68 !peak 20087 assign (resid 48 and name HG2* ) (resid 54 and name CD1 ) 2.91 0.74 1.11 !peak 20088 assign (resid 44 and name HG1* ) (resid 58 and name CA ) 4.12 1.55 2.33 !peak 20093 assign (resid 44 and name HG1* ) (resid 56 and name CB ) 3.74 1.29 1.94 !peak 20095 assign (resid 44 and name HG1* ) (resid 63 and name CD2 ) 3.39 1.06 1.59 !peak 20097 assign (resid 30 and name CG2 ) (resid 44 and name HG1* ) 3.25 0.96 1.45 !peak 20098 assign (resid 44 and name HG1* ) (resid 46 and name CD1 ) 3.55 1.17 1.76 !peak 20099 assign (resid 67 and name CA ) (resid 67 and name HD2* ) 3.23 0.96 1.43 !peak 20101 assign (resid 30 and name CG2 ) (resid 67 and name HD2* ) 3.61 1.21 1.82 !peak 20105 assign (resid 30 and name CD1 ) (resid 67 and name HD2* ) 3.73 1.29 1.93 !peak 20106 assign (resid 64 and name CA ) (resid 67 and name HD1* ) 3.81 1.34 2.01 !peak 20107 assign (resid 44 and name CG2 ) (resid 67 and name HD1* ) 3.38 1.06 1.58 !peak 20112 assign (resid 46 and name CD1 ) (resid 56 and name HG2* ) 3.28 0.98 1.48 !peak 20117 assign (resid 2 and name CG2 ) (resid 2 and name HD1* ) 3.45 1.10 1.65 !peak 20118 assign (resid 18 and name HD1* ) (resid 20 and name CB ) 3.99 1.46 2.19 !peak 20121 assign (resid 18 and name HG2* ) (resid 20 and name CB ) 4.30 1.67 2.51 !peak 20122 assign (resid 21 and name HG1* ) (resid 22 and name CA ) 4.11 1.54 2.31 !peak 20124 assign (resid 18 and name CD1 ) (resid 54 and name HG2* ) 2.84 0.69 1.04 !peak 20127 assign (resid 27 and name CG2 ) (resid 30 and name HD1* ) 3.57 1.18 1.77 !peak 20128 assign (resid 44 and name HG1* ) (resid 63 and name CD1 ) 3.66 1.24 1.86 !peak 20131 assign (resid 30 and name CG2 ) (resid 46 and name HD1* ) 3.75 1.30 1.95 !peak 20132 assign (resid 46 and name HD1* ) (resid 56 and name CG1 ) 3.91 1.41 2.11 !peak 20133 assign (resid 56 and name HG1* ) (resid 63 and name CD2 ) 4.12 1.55 2.33 !peak 20134 assign (resid 60 and name CB ) (resid 63 and name HD1* ) 4.16 1.58 2.36 !peak 20135 assign (resid 32 and name CG1 ) (resid 67 and name HD2* ) 3.86 1.38 2.06 !peak 20136 assign (resid 1 and name HE* ) (resid 66 and name CD2 ) 3.38 1.05 1.58 !peak 20137 assign (resid 50 and name CB ) (resid 50 and name HE* ) 3.94 1.43 2.14 !peak 20138 assign (resid 21 and name HG2* ) (resid 22 and name CA ) 4.11 1.54 2.31 !peak 20140 assign (resid 26 and name HG2* ) (resid 27 and name CA ) 4.16 1.57 2.36 !peak 20141 assign (resid 3 and name CD1 ) (resid 32 and name HG1* ) 4.14 1.56 2.34 !peak 20145 assign (resid 70 and name HN ) (resid 71 and name HN ) 3.06 0.84 1.26 !peak 51 #SUP 0.82 #QF 0.82 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.86 1.38 2.06 !peak 2 #SUP 0.93 #QF 0.93 assign (resid 24 and name HN ) (resid 26 and name HN ) 3.82 1.35 2.03 !peak 15 #SUP 0.73 #QF 0.73 assign (resid 4 and name HN ) (resid 31 and name HN ) 4.22 1.62 2.42 !peak 21 #SUP 0.89 #QF 0.66 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.49 1.79 2.69 !peak 21 #SUP 0.89 #QF 0.66 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.21 0.94 1.41 !peak 25 #SUP 0.61 #QF 0.61 assign (resid 33 and name HN ) (resid 43 and name HN ) 3.67 1.25 1.87 !peak 31 #SUP 0.74 #QF 0.55 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.58 1.19 1.78 !peak 32 #SUP 0.91 #QF 0.91 assign (resid 31 and name HN ) (resid 45 and name HN ) 3.49 1.13 1.70 !peak 33 #SUP 0.41 #QF 0.41 assign (resid 44 and name HN ) (resid 56 and name HN ) 3.67 1.25 1.87 !peak 56 #SUP 0.36 #QF 0.36 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.16 0.90 1.36 !peak 69 #SUP 0.69 #QF 0.69 assign (resid 67 and name HN ) (resid 68 and name HN ) 2.93 0.75 1.13 !peak 70 #SUP 0.83 #QF 0.83 assign (resid 27 and name HN ) (resid 28 and name HN ) 3.91 1.40 2.11 !peak 77 #SUP 0.76 #QF 0.76 assign (resid 18 and name HN ) (resid 55 and name HN ) 3.99 1.46 2.19 !peak 82 #SUP 0.59 #QF 0.59 assign (resid 69 and name HB2 ) (resid 70 and name HN ) 4.00 1.47 2.20 !peak 266 #SUP 0.78 #QF 0.78 assign (resid 69 and name HB1 ) (resid 70 and name HN ) 4.00 1.47 2.20 !peak 267 #SUP 0.99 #QF 0.99 assign (resid 70 and name HN ) (resid 70 and name HB ) 3.31 1.00 1.51 !peak 268 #SUP 0.98 #QF 0.98 assign (resid 3 and name HN ) (resid 3 and name HG ) 4.57 1.85 2.78 !peak 15 #SUP 1.00 #QF 0.98 assign (resid 4 and name HG2 ) (resid 5 and name HN ) 4.57 1.85 2.78 !peak 18 #SUP 0.95 #QF 0.39 assign (resid 4 and name HG1 ) (resid 5 and name HN ) 4.57 1.85 2.78 !peak 18 #SUP 0.95 #QF 0.39 assign (resid 4 and name HN ) (resid 4 and name HG2 ) 4.57 1.85 2.78 !peak 21 #SUP 1.00 #QF 0.95 assign (resid 4 and name HN ) (resid 4 and name HG1 ) 4.57 1.85 2.78 !peak 21 #SUP 1.00 #QF 0.95 assign (resid 5 and name HB* ) (resid 6 and name HN ) 3.81 1.34 2.01 !peak 27 #SUP 1.00 assign (resid 10 and name HN ) (resid 10 and name HD1* ) 4.34 1.69 2.54 !peak 31 #SUP 0.95 #QF 0.49 assign (resid 10 and name HN ) (resid 10 and name HD2* ) 4.34 1.69 2.54 !peak 31 #SUP 0.95 #QF 0.49 assign (resid 60 and name HB* ) (resid 62 and name HN ) 3.70 1.27 1.90 !peak 38 #SUP 0.64 #QF 0.64 assign (resid 8 and name HB ) (resid 9 and name HN ) 3.94 1.42 2.14 !peak 40 #SUP 0.99 #QF 0.99 assign (resid 8 and name HG2* ) (resid 9 and name HN ) 4.02 1.48 2.22 !peak 44 #SUP 0.99 #QF 0.99 assign (resid 11 and name HN ) (resid 11 and name HG2 ) 3.69 1.26 1.89 !peak 46 #SUP 0.70 #QF 0.60 assign (resid 11 and name HN ) (resid 11 and name HG1 ) 3.69 1.26 1.89 !peak 46 #SUP 0.70 #QF 0.60 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.97 1.45 2.17 !peak 51 #SUP 0.87 #QF 0.87 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.97 1.45 2.17 !peak 52 #SUP 0.99 #QF 0.99 assign (resid 11 and name HG2 ) (resid 12 and name HN ) 4.57 1.85 2.78 !peak 53 #SUP 0.85 #QF 0.57 assign (resid 11 and name HG1 ) (resid 12 and name HN ) 4.57 1.85 2.78 !peak 53 #SUP 0.85 #QF 0.57 assign (resid 13 and name HN ) (resid 13 and name HG2 ) 4.10 1.53 2.30 !peak 60 #SUP 0.99 #QF 0.90 assign (resid 13 and name HN ) (resid 13 and name HG1 ) 4.10 1.53 2.30 !peak 60 #SUP 0.99 #QF 0.90 assign (resid 13 and name HG2 ) (resid 14 and name HN ) 4.57 1.85 2.78 !peak 67 #SUP 0.99 #QF 0.98 assign (resid 13 and name HG1 ) (resid 14 and name HN ) 4.57 1.85 2.78 !peak 67 #SUP 0.99 #QF 0.98 assign (resid 18 and name HN ) (resid 56 and name HG1* ) 3.18 0.92 1.38 !peak 77 #SUP 0.51 #QF 0.51 assign (resid 18 and name HG12 ) (resid 20 and name HN ) 4.49 1.79 2.68 !peak 85 #SUP 0.95 #QF 0.95 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.60 0.54 0.80 !peak 90 #SUP 0.87 #QF 0.87 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.38 0.38 0.58 !peak 97 #SUP 0.64 #QF 0.64 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 2.74 0.63 0.95 !peak 112 #SUP 0.83 #QF 0.83 assign (resid 64 and name HA ) (resid 64 and name HE21 ) 3.71 1.27 1.91 !peak 126 #SUP 0.74 #QF 0.74 assign (resid 24 and name HA ) (resid 26 and name HN ) 3.54 1.16 1.74 !peak 127 #SUP 0.90 #QF 0.90 assign (resid 26 and name HN ) (resid 27 and name HG11 ) 3.31 1.00 1.51 !peak 130 #SUP 0.72 #QF 0.72 assign (resid 64 and name HE21 ) (resid 67 and name HG ) 4.18 1.58 2.38 !peak 132 #SUP 0.94 #QF 0.70 assign (resid 63 and name HD2* ) (resid 64 and name HE21 ) 4.26 1.64 2.46 !peak 138 #SUP 0.57 #QF 0.57 assign (resid 24 and name HG ) (resid 27 and name HN ) 4.47 1.78 2.67 !peak 144 #SUP 0.74 #QF 0.74 assign (resid 27 and name HN ) (resid 27 and name HD1* ) 3.17 0.92 1.37 !peak 149 #SUP 0.80 #QF 0.80 assign (resid 28 and name HN ) (resid 48 and name HA ) 3.20 0.93 1.39 !peak 150 #SUP 0.72 #QF 0.72 assign (resid 30 and name HN ) (resid 30 and name HB ) 3.35 1.04 1.55 !peak 172 #SUP 0.94 #QF 0.64 assign (resid 30 and name HN ) (resid 30 and name HD1* ) 3.88 1.39 2.09 !peak 175 #SUP 0.99 #QF 0.99 assign (resid 30 and name HG2* ) (resid 31 and name HN ) 3.16 0.91 1.36 !peak 180 #SUP 0.90 #QF 0.90 assign (resid 31 and name HG1 ) (resid 32 and name HN ) 3.32 1.01 1.51 !peak 183 #SUP 0.50 #QF 0.50 assign (resid 33 and name HN ) (resid 34 and name HD2 ) 4.57 1.85 2.78 !peak 186 #SUP 1.00 #QF 0.98 assign (resid 33 and name HN ) (resid 34 and name HD1 ) 4.57 1.85 2.78 !peak 186 #SUP 1.00 #QF 0.98 assign (resid 33 and name HN ) (resid 33 and name HG2* ) 3.68 1.25 1.88 !peak 188 #SUP 0.71 #QF 0.71 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.10 1.53 2.30 !peak 203 #SUP 0.81 #QF 0.81 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 4.10 1.53 2.30 !peak 204 #SUP 1.00 assign (resid 41 and name HN ) (resid 42 and name HA ) 4.48 1.79 2.68 !peak 210 #SUP 0.87 #QF 0.87 assign (resid 40 and name HG1 ) (resid 41 and name HN ) 3.61 1.21 1.81 !peak 213 #SUP 0.98 #QF 0.82 assign (resid 43 and name HN ) (resid 43 and name HB1 ) 3.59 1.19 1.78 !peak 224 #SUP 0.77 #QF 0.77 assign (resid 42 and name HG2* ) (resid 43 and name HN ) 3.09 0.86 1.29 !peak 225 #SUP 0.73 #QF 0.73 assign (resid 43 and name HN ) (resid 44 and name HG2* ) 3.54 1.16 1.74 !peak 226 #SUP 0.60 #QF 0.60 assign (resid 42 and name HG2* ) (resid 44 and name HN ) 4.34 1.69 2.54 !peak 231 #SUP 0.51 #QF 0.51 assign (resid 31 and name HG2 ) (resid 45 and name HN ) 4.04 1.49 2.24 !peak 232 #SUP 0.85 #QF 0.85 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 2.88 0.72 1.08 !peak 234 #SUP 0.71 #QF 0.71 assign (resid 44 and name HG1* ) (resid 45 and name HN ) 3.01 0.81 1.22 !peak 235 #SUP 0.67 #QF 0.67 assign (resid 46 and name HN ) (resid 55 and name HA ) 4.14 1.56 2.34 !peak 237 #SUP 0.51 #QF 0.51 assign (resid 46 and name HN ) (resid 54 and name HB ) 3.34 1.02 1.54 !peak 239 #SUP 0.50 #QF 0.50 assign (resid 47 and name HE1 ) (resid 53 and name HG1* ) 3.51 1.14 1.71 !peak 246 #SUP 0.83 #QF 0.72 assign (resid 47 and name HE1 ) (resid 53 and name HG2* ) 3.51 1.14 1.71 !peak 246 #SUP 0.83 #QF 0.72 assign (resid 45 and name HG1* ) (resid 47 and name HE1 ) 3.35 1.04 1.55 !peak 247 #SUP 0.70 #QF 0.70 assign (resid 48 and name HN ) (resid 52 and name HB2 ) 3.48 1.12 1.68 !peak 252 #SUP 0.39 #QF 0.39 assign (resid 48 and name HN ) (resid 54 and name HG11 ) 4.22 1.62 2.42 !peak 253 #SUP 0.62 #QF 0.62 assign (resid 48 and name HN ) (resid 48 and name HG2* ) 2.79 0.66 0.99 !peak 254 #SUP 0.82 #QF 0.82 assign (resid 46 and name HG2* ) (resid 48 and name HN ) 4.10 1.53 2.30 !peak 255 #SUP 0.93 #QF 0.93 assign (resid 48 and name HN ) (resid 54 and name HD1* ) 4.57 1.85 2.78 !peak 256 #SUP 0.75 #QF 0.75 assign (resid 49 and name HN ) (resid 49 and name HE2 ) 4.57 1.85 2.78 !peak 261 #SUP 0.76 #QF 0.51 assign (resid 49 and name HN ) (resid 49 and name HE1 ) 4.57 1.85 2.78 !peak 261 #SUP 0.76 #QF 0.51 assign (resid 26 and name HB ) (resid 49 and name HN ) 3.50 1.13 1.70 !peak 263 #SUP 0.99 #QF 0.77 assign (resid 28 and name HB1 ) (resid 49 and name HN ) 4.00 1.46 2.20 !peak 263 #SUP 0.99 #QF 0.77 assign (resid 26 and name HB ) (resid 50 and name HN ) 3.74 1.29 1.94 !peak 276 #SUP 0.62 #QF 0.62 assign (resid 26 and name HG2* ) (resid 50 and name HN ) 4.48 1.79 2.68 !peak 281 #SUP 1.00 #QF 0.78 assign (resid 26 and name HD1* ) (resid 50 and name HN ) 4.57 1.85 2.78 !peak 281 #SUP 1.00 #QF 0.78 assign (resid 49 and name HA ) (resid 51 and name HN ) 3.35 1.04 1.55 !peak 283 #SUP 0.79 #QF 0.79 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 3.39 1.06 1.59 !peak 291 #SUP 0.66 #QF 0.66 assign (resid 50 and name HB1 ) (resid 52 and name HN ) 4.42 1.75 2.62 !peak 296 #SUP 0.77 #QF 0.77 assign (resid 48 and name HG2* ) (resid 52 and name HN ) 3.12 0.88 1.32 !peak 302 #SUP 0.68 #QF 0.68 assign (resid 26 and name HD1* ) (resid 52 and name HN ) 4.57 1.85 2.78 !peak 303 #SUP 0.67 #QF 0.67 assign (resid 52 and name HB1 ) (resid 53 and name HN ) 3.08 0.86 1.28 !peak 305 #SUP 0.58 #QF 0.58 assign (resid 18 and name HG11 ) (resid 55 and name HN ) 3.59 1.19 1.79 !peak 318 #SUP 0.58 #QF 0.58 assign (resid 56 and name HN ) (resid 56 and name HG2* ) 2.89 0.73 1.10 !peak 326 #SUP 0.75 #QF 0.75 assign (resid 56 and name HG2* ) (resid 57 and name HN ) 3.74 1.29 1.94 !peak 331 #SUP 0.99 #QF 0.97 assign (resid 59 and name HN ) (resid 59 and name HD2 ) 4.43 1.75 2.62 !peak 336 #SUP 0.96 #QF 0.29 assign (resid 59 and name HN ) (resid 59 and name HD1 ) 4.43 1.75 2.62 !peak 336 #SUP 0.96 #QF 0.29 assign (resid 58 and name HG2 ) (resid 59 and name HN ) 3.12 0.88 1.32 !peak 338 #SUP 0.99 #QF 0.70 assign (resid 58 and name HG1 ) (resid 59 and name HN ) 4.08 1.52 2.28 !peak 339 #SUP 0.99 #QF 0.96 assign (resid 44 and name HG2* ) (resid 59 and name HN ) 4.43 1.75 2.63 !peak 342 #SUP 1.00 assign (resid 60 and name HN ) (resid 63 and name HB1 ) 3.66 1.24 1.86 !peak 348 #SUP 0.74 #QF 0.74 assign (resid 60 and name HB* ) (resid 62 and name HE1 ) 2.97 0.78 1.17 !peak 361 #SUP 0.22 #QF 0.22 assign (resid 63 and name HN ) (resid 63 and name HD1* ) 3.94 1.42 2.14 !peak 369 #SUP 1.00 #QF 0.99 assign (resid 63 and name HN ) (resid 63 and name HD2* ) 4.20 1.60 2.40 !peak 369 #SUP 1.00 #QF 0.99 assign (resid 61 and name HA ) (resid 64 and name HN ) 3.43 1.09 1.63 !peak 371 #SUP 0.56 #QF 0.56 assign (resid 64 and name HN ) (resid 67 and name HD1* ) 4.17 1.58 2.37 !peak 380 #SUP 0.94 #QF 0.77 assign (resid 63 and name HD2* ) (resid 64 and name HN ) 3.53 1.15 1.73 !peak 381 #SUP 0.98 #QF 0.98 assign (resid 65 and name HN ) (resid 65 and name HD2 ) 4.57 1.85 2.78 !peak 385 #SUP 0.98 #QF 0.89 assign (resid 65 and name HN ) (resid 65 and name HD1 ) 4.57 1.85 2.78 !peak 385 #SUP 0.98 #QF 0.89 assign (resid 64 and name HA ) (resid 66 and name HN ) 3.96 1.44 2.16 !peak 393 #SUP 0.89 #QF 0.89 assign (resid 63 and name HA ) (resid 66 and name HN ) 3.28 0.99 1.49 !peak 394 #SUP 0.76 #QF 0.76 assign (resid 66 and name HN ) (resid 66 and name HB2 ) 3.41 1.07 1.61 !peak 395 #SUP 0.96 #QF 0.53 assign (resid 66 and name HN ) (resid 66 and name HB1 ) 3.41 1.07 1.61 !peak 396 #SUP 0.84 #QF 0.65 assign (resid 66 and name HN ) (resid 66 and name HG ) 3.61 1.21 1.81 !peak 396 #SUP 0.84 #QF 0.65 assign (resid 67 and name HN ) (resid 67 and name HG ) 2.72 0.62 0.92 !peak 403 #SUP 0.88 #QF 0.68 assign (resid 65 and name HA ) (resid 68 and name HN ) 3.50 1.13 1.70 !peak 410 #SUP 1.00 #QF 0.33 assign (resid 68 and name HN ) (resid 68 and name HD2 ) 4.57 1.85 2.78 !peak 411 #SUP 0.99 #QF 0.88 assign (resid 68 and name HN ) (resid 68 and name HD1 ) 4.57 1.85 2.78 !peak 411 #SUP 0.99 #QF 0.88 assign (resid 68 and name HN ) (resid 68 and name HB2 ) 3.07 0.85 1.28 !peak 412 #SUP 0.74 #QF 0.62 assign (resid 68 and name HN ) (resid 68 and name HB1 ) 3.07 0.85 1.28 !peak 412 #SUP 0.74 #QF 0.62 assign (resid 67 and name HD1* ) (resid 68 and name HN ) 4.11 1.54 2.31 !peak 416 #SUP 1.00 #QF 0.35 assign (resid 67 and name HD2* ) (resid 68 and name HN ) 4.32 1.68 2.52 !peak 416 #SUP 1.00 #QF 0.35 assign (resid 65 and name HA ) (resid 69 and name HN ) 3.90 1.40 2.10 !peak 418 #SUP 0.67 #QF 0.27 assign (resid 67 and name HA ) (resid 69 and name HN ) 4.20 1.60 2.40 !peak 418 #SUP 0.67 #QF 0.27 assign (resid 70 and name HB ) (resid 71 and name HN ) 3.61 1.21 1.82 !peak 429 #SUP 0.98 #QF 0.63 assign (resid 39 and name HA ) (resid 41 and name HN ) 3.95 1.44 2.15 !peak 464 #SUP 0.81 #QF 0.81 assign (resid 42 and name HN ) (resid 42 and name HB ) 2.99 0.79 1.18 !peak 465 #SUP 0.60 #QF 0.60 assign (resid 47 and name HN ) (resid 47 and name HE3 ) 3.28 0.99 1.49 !peak 471 #SUP 0.68 #QF 0.68 assign (resid 26 and name HG2* ) (resid 49 and name HN ) 4.19 1.60 2.39 !peak 472 #SUP 0.95 #QF 0.74 assign (resid 26 and name HD1* ) (resid 49 and name HN ) 4.51 1.81 2.72 !peak 472 #SUP 0.95 #QF 0.74 assign (resid 47 and name HA ) (resid 54 and name HN ) 3.35 1.04 1.55 !peak 473 #SUP 0.66 #QF 0.66 assign (resid 46 and name HB ) (resid 54 and name HN ) 3.64 1.23 1.85 !peak 478 #SUP 0.68 #QF 0.68 assign (resid 62 and name HN ) (resid 62 and name HD1 ) 3.23 0.96 1.43 !peak 481 #SUP 0.77 #QF 0.77 assign (resid 17 and name HB ) (resid 18 and name HN ) 3.11 0.87 1.30 !peak 487 #SUP 0.94 #QF 0.88 assign (resid 2 and name HG2* ) (resid 5 and name HN ) 4.57 1.85 2.78 !peak 494 #SUP 0.44 #QF 0.44 assign (resid 30 and name HG2* ) (resid 32 and name HN ) 4.00 1.46 2.20 !peak 501 #SUP 0.63 #QF 0.63 assign (resid 44 and name HB ) (resid 45 and name HN ) 3.96 1.44 2.16 !peak 505 #SUP 0.73 #QF 0.73 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 3.85 1.37 2.05 !peak 508 #SUP 0.85 #QF 0.49 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 3.85 1.37 2.05 !peak 508 #SUP 0.85 #QF 0.49 assign (resid 5 and name HB* ) (resid 32 and name HN ) 4.12 1.55 2.33 !peak 513 #SUP 0.86 #QF 0.86 assign (resid 30 and name HA ) (resid 47 and name HN ) 3.13 0.89 1.34 !peak 532 #SUP 0.30 #QF 0.30 assign (resid 52 and name HA ) (resid 53 and name HN ) 2.60 0.54 0.80 !peak 539 #SUP 0.90 #QF 0.72 assign (resid 50 and name HN ) (resid 52 and name HB2 ) 4.00 1.46 2.20 !peak 550 #SUP 0.92 #QF 0.83 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 3.44 1.10 1.64 !peak 553 #SUP 0.95 #QF 0.95 assign (resid 46 and name HN ) (resid 46 and name HG2* ) 3.43 1.09 1.64 !peak 554 #SUP 1.00 assign (resid 31 and name HE21 ) (resid 45 and name HG2* ) 4.10 1.54 2.30 !peak 557 #SUP 0.75 #QF 0.75 assign (resid 67 and name HD1* ) (resid 71 and name HE21 ) 4.12 1.55 2.33 !peak 562 #SUP 0.58 #QF 0.58 assign (resid 25 and name HD21 ) (resid 26 and name HG2* ) 3.25 0.96 1.45 !peak 570 #SUP 0.61 #QF 0.61 assign (resid 64 and name HE22 ) (resid 67 and name HD1* ) 3.49 1.13 1.70 !peak 571 #SUP 0.57 #QF 0.57 assign (resid 57 and name HD21 ) (resid 59 and name HB1 ) 3.72 1.28 1.92 !peak 581 #SUP 0.99 #QF 0.99 assign (resid 57 and name HD21 ) (resid 60 and name HB* ) 3.94 1.43 2.14 !peak 582 #SUP 0.58 #QF 0.58 assign (resid 67 and name HD1* ) (resid 71 and name HE22 ) 4.12 1.55 2.33 !peak 588 #SUP 0.86 #QF 0.71 assign (resid 25 and name HD22 ) (resid 26 and name HG2* ) 3.25 0.96 1.45 !peak 593 #SUP 0.73 #QF 0.73 assign (resid 7 and name HD1 ) (resid 8 and name HN ) 4.57 1.85 2.78 !peak 604 #SUP 0.49 #QF 0.23 assign (resid 7 and name HD2 ) (resid 8 and name HN ) 4.57 1.85 2.78 !peak 604 #SUP 0.49 #QF 0.23 assign (resid 8 and name HN ) (resid 8 and name HG2* ) 3.56 1.17 1.76 !peak 608 #SUP 0.75 #QF 0.75 assign (resid 54 and name HG2* ) (resid 55 and name HA ) 4.02 1.48 2.22 !peak 5 #SUP 1.00 #QF 0.34 assign (resid 55 and name HA ) (resid 56 and name HG2* ) 3.99 1.46 2.19 !peak 5 #SUP 1.00 #QF 0.34 assign (resid 47 and name HA ) (resid 53 and name HG1* ) 4.36 1.71 2.56 !peak 7 #SUP 1.00 #QF 0.97 assign (resid 47 and name HA ) (resid 53 and name HG2* ) 4.36 1.71 2.56 !peak 7 #SUP 1.00 #QF 0.97 assign (resid 53 and name HA ) (resid 53 and name HG2* ) 3.36 1.04 1.56 !peak 8 #SUP 1.00 #QF 0.54 assign (resid 27 and name HD1* ) (resid 62 and name HZ3 ) 3.61 1.21 1.82 !peak 9 #SUP 0.49 #QF 0.49 assign (resid 26 and name HD1* ) (resid 27 and name HA ) 4.57 1.85 2.78 !peak 12 #SUP 1.00 #QF 0.72 assign (resid 27 and name HA ) (resid 27 and name HD1* ) 4.57 1.85 2.78 !peak 12 #SUP 1.00 #QF 0.72 assign (resid 78 and name HA ) (resid 78 and name HG2* ) 3.32 1.01 1.51 !peak 30 #SUP 1.00 assign (resid 78 and name HG2* ) (resid 79 and name HD2 ) 3.89 1.40 2.09 !peak 34 #SUP 1.00 assign (resid 78 and name HG2* ) (resid 79 and name HD1 ) 3.89 1.40 2.09 !peak 35 #SUP 0.99 #QF 0.99 assign (resid 56 and name HG2* ) (resid 62 and name HH2 ) 3.84 1.36 2.04 !peak 43 #SUP 0.95 #QF 0.95 assign (resid 17 and name HG2* ) (resid 57 and name HA ) 3.77 1.31 1.97 !peak 53 #SUP 0.97 #QF 0.90 assign (resid 81 and name HB* ) (resid 82 and name HD1 ) 3.87 1.38 2.07 !peak 60 #SUP 1.00 assign (resid 60 and name HB* ) (resid 62 and name HD1 ) 3.83 1.36 2.03 !peak 65 #SUP 1.00 #QF 0.91 assign (resid 27 and name HG2* ) (resid 28 and name HA ) 4.03 1.48 2.23 !peak 68 #SUP 0.95 #QF 0.88 assign (resid 26 and name HD1* ) (resid 48 and name HA ) 4.04 1.49 2.24 !peak 85 #SUP 0.99 #QF 0.95 assign (resid 46 and name HG2* ) (resid 48 and name HA ) 4.38 1.72 2.58 !peak 85 #SUP 0.99 #QF 0.95 assign (resid 30 and name HB ) (resid 30 and name HD1* ) 3.38 1.06 1.58 !peak 132 #SUP 0.99 #QF 0.43 assign (resid 46 and name HB ) (resid 54 and name HB ) 3.43 1.09 1.63 !peak 137 #SUP 1.00 #QF 0.98 assign (resid 46 and name HB ) (resid 54 and name HD1* ) 4.03 1.48 2.23 !peak 139 #SUP 0.96 #QF 0.66 assign (resid 56 and name HB ) (resid 57 and name HA ) 3.88 1.38 2.08 !peak 227 #SUP 0.77 #QF 0.77 assign (resid 31 and name HG2 ) (resid 45 and name HB ) 4.06 1.50 2.26 !peak 231 #SUP 0.58 #QF 0.58 assign (resid 22 and name HB ) (resid 62 and name HH2 ) 3.86 1.37 2.05 !peak 254 #SUP 0.71 #QF 0.71 assign (resid 22 and name HB ) (resid 48 and name HG2* ) 4.36 1.71 2.56 !peak 260 #SUP 0.86 #QF 0.86 assign (resid 22 and name HB ) (resid 46 and name HG2* ) 3.91 1.41 2.11 !peak 261 #SUP 1.00 #QF 0.88 assign (resid 42 and name HB ) (resid 58 and name HB1 ) 4.21 1.61 2.41 !peak 296 #SUP 0.97 #QF 0.55 assign (resid 42 and name HB ) (resid 58 and name HB2 ) 4.21 1.61 2.41 !peak 315 #SUP 0.94 #QF 0.75 assign (resid 40 and name HB2 ) (resid 41 and name HA ) 3.94 1.43 2.14 !peak 368 #SUP 0.49 #QF 0.49 assign (resid 50 and name HB1 ) (resid 50 and name HE* ) 3.80 1.33 1.99 !peak 397 #SUP 0.44 #QF 0.44 assign (resid 65 and name HA ) (resid 68 and name HB2 ) 4.48 1.79 2.68 !peak 409 #SUP 0.40 #QF 0.23 assign (resid 65 and name HA ) (resid 68 and name HB1 ) 4.48 1.79 2.68 !peak 409 #SUP 0.40 #QF 0.23 assign (resid 17 and name HA ) (resid 18 and name HG11 ) 4.13 1.56 2.33 !peak 529 #SUP 0.99 #QF 0.79 assign (resid 26 and name HG2* ) (resid 26 and name HG12 ) 3.41 1.07 1.61 !peak 545 #SUP 1.00 assign (resid 54 and name HG2* ) (resid 54 and name HG12 ) 3.49 1.13 1.70 !peak 551 #SUP 0.95 #QF 0.24 assign (resid 58 and name HA ) (resid 67 and name HD1* ) 4.22 1.62 2.42 !peak 572 #SUP 0.87 #QF 0.34 assign (resid 67 and name HA ) (resid 67 and name HD1* ) 4.53 1.82 2.73 !peak 572 #SUP 0.87 #QF 0.34 assign (resid 10 and name HA ) (resid 10 and name HD1* ) 3.84 1.36 2.04 !peak 586 #SUP 0.96 #QF 0.96 assign (resid 62 and name HZ3 ) (resid 66 and name HD2* ) 3.68 1.25 1.88 !peak 588 #SUP 0.89 #QF 0.82 assign (resid 66 and name HA ) (resid 66 and name HD2* ) 3.61 1.21 1.82 !peak 589 #SUP 1.00 assign (resid 24 and name HA ) (resid 24 and name HD1* ) 3.57 1.18 1.77 !peak 590 #SUP 0.98 #QF 0.98 assign (resid 48 and name HG2* ) (resid 52 and name HA ) 4.10 1.54 2.30 !peak 612 #SUP 0.92 #QF 0.82 assign (resid 48 and name HG2* ) (resid 53 and name HA ) 4.41 1.74 2.61 !peak 612 #SUP 0.92 #QF 0.82 assign (resid 32 and name HA ) (resid 32 and name HG2* ) 3.20 0.94 1.40 !peak 629 #SUP 0.97 #QF 0.97 assign (resid 52 and name HA ) (resid 52 and name HE2 ) 4.51 1.81 2.71 !peak 645 #SUP 0.97 #QF 0.26 assign (resid 52 and name HA ) (resid 52 and name HE1 ) 4.51 1.81 2.71 !peak 645 #SUP 0.97 #QF 0.26 assign (resid 52 and name HG1 ) (resid 52 and name HE2 ) 3.61 1.21 1.81 !peak 651 #SUP 0.97 #QF 0.79 assign (resid 52 and name HG1 ) (resid 52 and name HE1 ) 3.61 1.21 1.81 !peak 651 #SUP 0.97 #QF 0.79 assign (resid 17 and name HG1* ) (resid 57 and name HB2 ) 4.28 1.65 2.47 !peak 668 #SUP 0.97 #QF 0.60 assign (resid 10 and name HA ) (resid 10 and name HG ) 3.43 1.09 1.64 !peak 708 #SUP 1.00 assign (resid 10 and name HA ) (resid 10 and name HD2* ) 3.84 1.36 2.04 !peak 709 #SUP 0.92 #QF 0.92 assign (resid 75 and name HA ) (resid 75 and name HG ) 3.53 1.15 1.72 !peak 717 #SUP 0.97 #QF 0.86 assign (resid 59 and name HA ) (resid 59 and name HD2 ) 4.51 1.81 2.72 !peak 727 #SUP 1.00 #QF 0.96 assign (resid 59 and name HA ) (resid 59 and name HD1 ) 4.51 1.81 2.72 !peak 727 #SUP 1.00 #QF 0.96 assign (resid 81 and name HB* ) (resid 82 and name HD2 ) 3.87 1.38 2.07 !peak 763 #SUP 1.00 assign (resid 27 and name HA ) (resid 27 and name HG2* ) 3.38 1.05 1.58 !peak 808 #SUP 0.99 #QF 0.77 assign (resid 78 and name HB ) (resid 79 and name HA ) 4.24 1.63 2.45 !peak 827 #SUP 0.51 #QF 0.51 assign (resid 8 and name HA ) (resid 8 and name HG2* ) 3.38 1.06 1.58 !peak 862 #SUP 0.56 #QF 0.56 assign (resid 53 and name HA ) (resid 53 and name HG1* ) 3.36 1.04 1.56 !peak 869 #SUP 1.00 assign (resid 30 and name HA ) (resid 46 and name HG2* ) 4.24 1.63 2.45 !peak 885 #SUP 0.90 #QF 0.75 assign (resid 30 and name HA ) (resid 30 and name HD1* ) 3.79 1.33 1.99 !peak 886 #SUP 0.82 #QF 0.82 assign (resid 26 and name HA ) (resid 49 and name HE2 ) 4.50 1.80 2.70 !peak 888 #SUP 0.43 #QF 0.26 assign (resid 26 and name HA ) (resid 49 and name HE1 ) 4.50 1.80 2.70 !peak 888 #SUP 0.43 #QF 0.26 assign (resid 26 and name HA ) (resid 49 and name HB2 ) 3.24 0.96 1.44 !peak 890 #SUP 0.26 #QF 0.26 assign (resid 61 and name HA ) (resid 61 and name HD2 ) 4.57 1.85 2.77 !peak 896 #SUP 0.92 #QF 0.72 assign (resid 61 and name HA ) (resid 61 and name HD1 ) 4.57 1.85 2.77 !peak 896 #SUP 0.92 #QF 0.72 assign (resid 78 and name HA ) (resid 79 and name HA ) 4.04 1.49 2.24 !peak 904 #SUP 0.87 #QF 0.87 assign (resid 78 and name HA ) (resid 79 and name HD2 ) 3.04 0.83 1.24 !peak 906 #SUP 0.97 #QF 0.97 assign (resid 78 and name HA ) (resid 79 and name HD1 ) 3.04 0.83 1.24 !peak 907 #SUP 0.99 #QF 0.99 assign (resid 17 and name HA ) (resid 18 and name HG2* ) 4.53 1.82 2.73 !peak 918 #SUP 0.93 #QF 0.74 assign (resid 17 and name HA ) (resid 56 and name HG1* ) 4.57 1.85 2.78 !peak 918 #SUP 0.93 #QF 0.74 assign (resid 17 and name HA ) (resid 17 and name HG1* ) 3.27 0.98 1.47 !peak 919 #SUP 1.00 assign (resid 17 and name HA ) (resid 17 and name HG2* ) 3.27 0.98 1.47 !peak 919 #SUP 1.00 assign (resid 46 and name HA ) (resid 46 and name HG2* ) 3.34 1.02 1.54 !peak 923 #SUP 1.00 #QF 0.98 assign (resid 17 and name HG2* ) (resid 56 and name HA ) 3.82 1.35 2.03 !peak 926 #SUP 0.98 #QF 0.28 assign (resid 64 and name HA ) (resid 67 and name HG ) 3.60 1.20 1.80 !peak 933 #SUP 1.00 #QF 0.84 assign (resid 68 and name HA ) (resid 68 and name HD2 ) 4.57 1.85 2.78 !peak 953 #SUP 1.00 assign (resid 68 and name HA ) (resid 68 and name HD1 ) 4.57 1.85 2.78 !peak 953 #SUP 1.00 assign (resid 7 and name HA ) (resid 7 and name HD1 ) 3.97 1.44 2.17 !peak 964 #SUP 0.93 #QF 0.68 assign (resid 7 and name HA ) (resid 7 and name HD2 ) 4.16 1.58 2.36 !peak 964 #SUP 0.93 #QF 0.68 assign (resid 66 and name HA ) (resid 69 and name HB1 ) 3.95 1.44 2.15 !peak 968 #SUP 0.77 #QF 0.77 assign (resid 66 and name HA ) (resid 66 and name HG ) 3.53 1.15 1.73 !peak 970 #SUP 0.99 #QF 0.98 assign (resid 62 and name HE3 ) (resid 63 and name HA ) 3.87 1.38 2.07 !peak 1007 #SUP 0.43 #QF 0.43 assign (resid 63 and name HA ) (resid 66 and name HG ) 4.57 1.85 2.78 !peak 1009 #SUP 0.90 #QF 0.81 assign (resid 43 and name HA ) (resid 44 and name HG2* ) 3.84 1.36 2.04 !peak 1016 #SUP 0.81 #QF 0.81 assign (resid 14 and name HA ) (resid 45 and name HG2* ) 3.76 1.31 1.96 !peak 1040 #SUP 0.35 #QF 0.35 assign (resid 17 and name HB ) (resid 57 and name HA ) 4.11 1.54 2.31 !peak 1063 #SUP 0.84 #QF 0.62 assign (resid 57 and name HA ) (resid 58 and name HG1 ) 4.41 1.74 2.61 !peak 1063 #SUP 0.84 #QF 0.62 assign (resid 17 and name HG1* ) (resid 57 and name HA ) 3.77 1.31 1.97 !peak 1064 #SUP 1.00 assign (resid 81 and name HA ) (resid 82 and name HD2 ) 2.94 0.76 1.14 !peak 1065 #SUP 0.96 #QF 0.96 assign (resid 81 and name HA ) (resid 82 and name HD1 ) 2.94 0.76 1.14 !peak 1066 #SUP 0.97 #QF 0.97 assign (resid 42 and name HB ) (resid 58 and name HG2 ) 4.42 1.75 2.62 !peak 1076 #SUP 0.85 #QF 0.61 assign (resid 42 and name HB ) (resid 58 and name HG1 ) 3.74 1.29 1.93 !peak 1077 #SUP 0.99 #QF 0.59 assign (resid 39 and name HA ) (resid 40 and name HD2 ) 3.47 1.11 1.66 !peak 1085 #SUP 0.99 #QF 0.90 assign (resid 39 and name HA ) (resid 40 and name HD1 ) 3.47 1.11 1.66 !peak 1085 #SUP 0.99 #QF 0.90 assign (resid 22 and name HB ) (resid 27 and name HD1* ) 3.76 1.31 1.96 !peak 1136 #SUP 0.99 #QF 0.52 assign (resid 46 and name HD1* ) (resid 63 and name HD2* ) 3.29 1.00 1.49 !peak 1152 #SUP 0.59 #QF 0.59 assign (resid 44 and name HG2* ) (resid 63 and name HD2* ) 3.45 1.10 1.65 !peak 1153 #SUP 1.00 #QF 0.99 assign (resid 56 and name HG1* ) (resid 63 and name HD1* ) 3.54 1.16 1.74 !peak 1157 #SUP 1.00 #QF 0.99 assign (resid 56 and name HG1* ) (resid 63 and name HD2* ) 3.91 1.40 2.11 !peak 1157 #SUP 1.00 #QF 0.99 assign (resid 44 and name HB ) (resid 56 and name HG2* ) 3.50 1.13 1.70 !peak 1169 #SUP 0.79 #QF 0.34 assign (resid 46 and name HB ) (resid 56 and name HG2* ) 3.76 1.31 1.97 !peak 1170 #SUP 1.00 #QF 0.58 assign (resid 46 and name HG2* ) (resid 48 and name HG2* ) 3.19 0.92 1.39 !peak 1174 #SUP 0.89 #QF 0.89 assign (resid 18 and name HG2* ) (resid 18 and name HD1* ) 2.76 0.64 0.96 !peak 1177 #SUP 0.98 #QF 0.98 assign (resid 18 and name HG11 ) (resid 54 and name HG2* ) 3.53 1.15 1.73 !peak 1180 #SUP 1.00 #QF 0.98 assign (resid 26 and name HG2* ) (resid 50 and name HB2 ) 4.21 1.61 2.41 !peak 1183 #SUP 0.45 #QF 0.45 assign (resid 26 and name HG2* ) (resid 26 and name HG11 ) 3.41 1.07 1.61 !peak 1185 #SUP 0.95 #QF 0.88 assign (resid 67 and name HB2 ) (resid 67 and name HD1* ) 3.42 1.08 1.62 !peak 1192 #SUP 1.00 assign (resid 66 and name HD2* ) (resid 67 and name HD2* ) 4.22 1.62 2.42 !peak 1222 #SUP 0.77 #QF 0.53 assign (resid 48 and name HG2* ) (resid 52 and name HB1 ) 3.25 0.96 1.45 !peak 1223 #SUP 0.69 #QF 0.69 assign (resid 42 and name HG2* ) (resid 58 and name HB2 ) 3.81 1.34 2.01 !peak 1229 #SUP 0.94 #QF 0.52 assign (resid 26 and name HG2* ) (resid 50 and name HE* ) 3.12 0.88 1.32 !peak 1245 #SUP 0.59 #QF 0.59 assign (resid 1 and name HE* ) (resid 27 and name HG2* ) 3.22 0.94 1.42 !peak 1247 #SUP 0.85 #QF 0.57 assign (resid 1 and name HE* ) (resid 27 and name HD1* ) 3.57 1.18 1.77 !peak 1247 #SUP 0.85 #QF 0.57 assign (resid 66 and name HD1* ) (resid 67 and name HD2* ) 4.22 1.62 2.42 !peak 1248 #SUP 0.69 #QF 0.69 assign (resid 30 and name HD1* ) (resid 67 and name HD2* ) 3.43 1.09 1.64 !peak 1249 #SUP 0.88 #QF 0.65 assign (resid 63 and name HD1* ) (resid 67 and name HD2* ) 3.29 1.00 1.49 !peak 1250 #SUP 0.96 #QF 0.79 assign (resid 44 and name HG1* ) (resid 63 and name HD1* ) 3.17 0.92 1.37 !peak 1251 #SUP 1.00 #QF 0.43 assign (resid 30 and name HD1* ) (resid 66 and name HD2* ) 3.47 1.12 1.67 !peak 1255 #SUP 0.95 #QF 0.49 assign (resid 63 and name HD2* ) (resid 67 and name HD1* ) 3.37 1.05 1.57 !peak 1261 #SUP 1.00 #QF 0.98 assign (resid 63 and name HD1* ) (resid 66 and name HG ) 4.48 1.79 2.68 !peak 1264 #SUP 0.79 #QF 0.36 assign (resid 63 and name HD1* ) (resid 67 and name HG ) 4.57 1.85 2.78 !peak 1264 #SUP 0.79 #QF 0.36 assign (resid 56 and name HB ) (resid 63 and name HD1* ) 4.57 1.85 2.78 !peak 1265 #SUP 0.97 #QF 0.61 assign (resid 54 and name HG2* ) (resid 56 and name HG1* ) 3.07 0.85 1.28 !peak 1269 #SUP 0.99 #QF 0.43 assign (resid 42 and name HG2* ) (resid 58 and name HG1 ) 3.54 1.16 1.74 !peak 1273 #SUP 1.00 #QF 0.99 assign (resid 56 and name HG2* ) (resid 63 and name HD1* ) 3.51 1.14 1.71 !peak 1280 #SUP 1.00 #QF 0.55 assign (resid 56 and name HG2* ) (resid 63 and name HD2* ) 3.60 1.20 1.80 !peak 1280 #SUP 1.00 #QF 0.55 assign (resid 44 and name HG1* ) (resid 63 and name HD2* ) 3.64 1.23 1.84 !peak 1283 #SUP 1.00 #QF 0.93 assign (resid 44 and name HG1* ) (resid 46 and name HD1* ) 3.34 1.02 1.54 !peak 1285 #SUP 0.91 #QF 0.43 assign (resid 3 and name HG ) (resid 5 and name HB* ) 4.07 1.51 2.27 !peak 1296 #SUP 0.33 #QF 0.33 assign (resid 60 and name HB* ) (resid 63 and name HD2* ) 3.88 1.38 2.08 !peak 1299 #SUP 1.00 #QF 0.98 assign (resid 27 and name HG12 ) (resid 46 and name HG2* ) 3.19 0.92 1.39 !peak 1303 #SUP 0.98 #QF 0.82 assign (resid 30 and name HG2* ) (resid 46 and name HD1* ) 3.41 1.08 1.61 !peak 1306 #SUP 0.95 #QF 0.66 assign (resid 46 and name HD1* ) (resid 63 and name HD1* ) 3.70 1.27 1.91 !peak 1310 #SUP 1.00 #QF 0.99 assign (resid 32 and name HA ) (resid 44 and name HG1* ) 3.74 1.29 1.93 !peak 1326 #SUP 0.54 #QF 0.24 assign (resid 44 and name HG2* ) (resid 58 and name HB2 ) 3.70 1.27 1.90 !peak 1331 #SUP 0.67 #QF 0.67 assign (resid 4 and name HB1 ) (resid 31 and name HA ) 3.96 1.44 2.16 !peak 1335 #SUP 0.73 #QF 0.63 assign (resid 30 and name HG2* ) (resid 46 and name HB ) 4.12 1.55 2.33 !peak 1338 #SUP 0.94 #QF 0.77 assign (resid 24 and name HA ) (resid 27 and name HG11 ) 3.47 1.11 1.66 !peak 1354 #SUP 0.79 #QF 0.30 assign (resid 46 and name HB ) (resid 54 and name HG2* ) 4.11 1.54 2.31 !peak 1360 #SUP 0.95 #QF 0.48 assign (resid 30 and name HD1* ) (resid 46 and name HA ) 3.80 1.33 2.00 !peak 1361 #SUP 0.79 #QF 0.79 assign (resid 47 and name CA ) (resid 53 and name HG1* ) 4.54 1.83 2.74 !peak 3 #SUP 1.00 #QF 0.99 assign (resid 47 and name CA ) (resid 53 and name HG2* ) 4.54 1.83 2.74 !peak 3 #SUP 1.00 #QF 0.99 assign (resid 46 and name HD1* ) (resid 56 and name CA ) 4.46 1.77 2.66 !peak 6 #SUP 0.99 #QF 0.96 assign (resid 46 and name HD1* ) (resid 63 and name CA ) 4.28 1.65 2.47 !peak 7 #SUP 0.88 #QF 0.88 assign (resid 22 and name CG1 ) (resid 46 and name HD1* ) 3.03 0.82 1.23 !peak 10 #SUP 0.29 #QF 0.29 assign (resid 46 and name CG2 ) (resid 46 and name HD1* ) 3.26 0.97 1.45 !peak 11 #SUP 0.62 #QF 0.62 assign (resid 22 and name CB ) (resid 26 and name HD1* ) 4.10 1.53 2.30 !peak 15 #SUP 0.91 #QF 0.81 assign (resid 22 and name CB ) (resid 27 and name HD1* ) 4.38 1.72 2.58 !peak 15 #SUP 0.91 #QF 0.81 assign (resid 22 and name CG1 ) (resid 26 and name HD1* ) 3.85 1.37 2.05 !peak 17 #SUP 0.87 #QF 0.32 assign (resid 22 and name CG2 ) (resid 26 and name HD1* ) 4.14 1.56 2.34 !peak 17 #SUP 0.87 #QF 0.32 assign (resid 26 and name CG2 ) (resid 26 and name HD1* ) 3.13 0.88 1.33 !peak 18 #SUP 0.93 #QF 0.77 assign (resid 27 and name CG2 ) (resid 27 and name HD1* ) 3.27 0.98 1.47 !peak 18 #SUP 0.93 #QF 0.77 assign (resid 30 and name HD1* ) (resid 66 and name CB ) 3.66 1.24 1.86 !peak 21 #SUP 0.71 #QF 0.71 assign (resid 30 and name HD1* ) (resid 46 and name CB ) 3.67 1.25 1.87 !peak 22 #SUP 0.99 #QF 0.99 assign (resid 30 and name HD1* ) (resid 66 and name CD1 ) 3.62 1.21 1.82 !peak 24 #SUP 0.71 #QF 0.71 assign (resid 30 and name HD1* ) (resid 70 and name CG1 ) 3.84 1.36 2.04 !peak 26 #SUP 0.71 #QF 0.71 assign (resid 30 and name HD1* ) (resid 66 and name CA ) 4.27 1.65 2.47 !peak 28 #SUP 0.50 #QF 0.50 assign (resid 24 and name CB ) (resid 27 and name HD1* ) 4.04 1.50 2.24 !peak 32 #SUP 1.00 assign (resid 27 and name CG1 ) (resid 54 and name HD1* ) 4.57 1.85 2.78 !peak 35 #SUP 0.40 #QF 0.40 assign (resid 22 and name CB ) (resid 54 and name HD1* ) 3.88 1.39 2.09 !peak 37 #SUP 0.91 #QF 0.81 assign (resid 22 and name CG1 ) (resid 54 and name HD1* ) 3.22 0.94 1.42 !peak 39 #SUP 0.90 #QF 0.33 assign (resid 22 and name CG2 ) (resid 54 and name HD1* ) 3.31 1.00 1.51 !peak 39 #SUP 0.90 #QF 0.33 assign (resid 18 and name CA ) (resid 18 and name HD1* ) 3.67 1.25 1.87 !peak 41 #SUP 0.99 #QF 0.93 assign (resid 18 and name HD1* ) (resid 54 and name CA ) 3.96 1.44 2.16 !peak 41 #SUP 0.99 #QF 0.93 assign (resid 18 and name CG2 ) (resid 18 and name HD1* ) 2.95 0.77 1.15 !peak 45 #SUP 0.98 #QF 0.69 assign (resid 18 and name HD1* ) (resid 54 and name CG2 ) 3.20 0.94 1.40 !peak 45 #SUP 0.98 #QF 0.69 assign (resid 44 and name CB ) (resid 63 and name HD2* ) 4.17 1.58 2.37 !peak 49 #SUP 0.98 #QF 0.93 assign (resid 44 and name CG1 ) (resid 63 and name HD1* ) 3.63 1.22 1.83 !peak 54 #SUP 0.93 #QF 0.90 assign (resid 56 and name CG2 ) (resid 63 and name HD1* ) 3.87 1.38 2.07 !peak 54 #SUP 0.93 #QF 0.90 assign (resid 55 and name CB ) (resid 56 and name HG1* ) 4.30 1.67 2.51 !peak 62 #SUP 0.83 #QF 0.83 assign (resid 18 and name CG1 ) (resid 56 and name HG1* ) 3.83 1.36 2.03 !peak 65 #SUP 0.58 #QF 0.58 assign (resid 54 and name CG2 ) (resid 56 and name HG1* ) 3.40 1.07 1.60 !peak 66 #SUP 0.71 #QF 0.71 assign (resid 56 and name HG1* ) (resid 63 and name CA ) 4.57 1.85 2.78 !peak 68 #SUP 0.26 #QF 0.26 assign (resid 44 and name CB ) (resid 56 and name HG1* ) 4.57 1.85 2.78 !peak 69 #SUP 0.82 #QF 0.82 assign (resid 17 and name HG1* ) (resid 57 and name CA ) 3.66 1.24 1.86 !peak 72 #SUP 0.63 #QF 0.63 assign (resid 17 and name HG1* ) (resid 57 and name CB ) 3.97 1.44 2.17 !peak 76 #SUP 0.92 #QF 0.92 assign (resid 45 and name HG2* ) (resid 55 and name CA ) 3.97 1.45 2.17 !peak 82 #SUP 0.75 #QF 0.75 assign (resid 22 and name HG1* ) (resid 27 and name CG1 ) 4.07 1.51 2.27 !peak 83 #SUP 0.80 #QF 0.72 assign (resid 22 and name HG2* ) (resid 27 and name CG1 ) 4.07 1.51 2.27 !peak 83 #SUP 0.80 #QF 0.72 assign (resid 44 and name HG2* ) (resid 58 and name CA ) 3.34 1.02 1.54 !peak 84 #SUP 0.76 #QF 0.76 assign (resid 44 and name HG2* ) (resid 63 and name CD2 ) 3.57 1.18 1.77 !peak 90 #SUP 0.97 #QF 0.78 assign (resid 56 and name HG2* ) (resid 63 and name CD2 ) 3.76 1.31 1.97 !peak 90 #SUP 0.97 #QF 0.78 assign (resid 55 and name CB ) (resid 56 and name HG2* ) 4.36 1.71 2.57 !peak 94 #SUP 0.87 #QF 0.87 assign (resid 54 and name CG2 ) (resid 56 and name HG2* ) 4.02 1.48 2.22 !peak 96 #SUP 0.82 #QF 0.82 assign (resid 17 and name HG2* ) (resid 57 and name CB ) 3.97 1.44 2.17 !peak 109 #SUP 0.89 #QF 0.89 assign (resid 27 and name CG1 ) (resid 46 and name HG2* ) 3.56 1.17 1.76 !peak 115 #SUP 0.98 #QF 0.93 assign (resid 30 and name CG1 ) (resid 46 and name HG2* ) 3.68 1.25 1.88 !peak 115 #SUP 0.98 #QF 0.93 assign (resid 22 and name CG1 ) (resid 46 and name HG2* ) 3.25 0.96 1.45 !peak 116 #SUP 0.98 #QF 0.86 assign (resid 22 and name CG2 ) (resid 46 and name HG2* ) 3.61 1.21 1.81 !peak 116 #SUP 0.98 #QF 0.86 assign (resid 30 and name CD1 ) (resid 46 and name HG2* ) 3.00 0.80 1.20 !peak 117 #SUP 0.55 #QF 0.55 assign (resid 60 and name HB* ) (resid 61 and name CA ) 3.69 1.26 1.89 !peak 124 #SUP 0.73 #QF 0.73 assign (resid 57 and name CB ) (resid 60 and name HB* ) 3.47 1.12 1.67 !peak 128 #SUP 0.91 #QF 0.91 assign (resid 22 and name CG2 ) (resid 54 and name HG2* ) 3.06 0.84 1.26 !peak 134 #SUP 0.24 #QF 0.24 assign (resid 2 and name HG2* ) (resid 4 and name CG ) 4.16 1.57 2.36 !peak 139 #SUP 0.74 #QF 0.74 assign (resid 30 and name HG2* ) (resid 46 and name CB ) 3.48 1.12 1.68 !peak 141 #SUP 0.92 #QF 0.92 assign (resid 30 and name HG2* ) (resid 44 and name CG1 ) 3.14 0.89 1.34 !peak 143 #SUP 0.45 #QF 0.45 assign (resid 30 and name HG2* ) (resid 30 and name CD1 ) 3.24 0.96 1.44 !peak 144 #SUP 0.92 #QF 0.79 assign (resid 3 and name CD1 ) (resid 30 and name HG2* ) 4.18 1.59 2.39 !peak 145 #SUP 0.90 #QF 0.90 assign (resid 27 and name HG2* ) (resid 46 and name CB ) 4.12 1.54 2.32 !peak 151 #SUP 0.85 #QF 0.85 assign (resid 22 and name CB ) (resid 27 and name HG2* ) 4.57 1.85 2.78 !peak 153 #SUP 0.84 #QF 0.84 assign (resid 42 and name HG2* ) (resid 58 and name CG ) 4.11 1.54 2.31 !peak 168 #SUP 0.98 #QF 0.49 assign (resid 48 and name HG2* ) (resid 54 and name CB ) 4.04 1.50 2.24 !peak 174 #SUP 0.88 #QF 0.88 assign (resid 48 and name HG2* ) (resid 52 and name CD ) 3.98 1.46 2.18 !peak 176 #SUP 0.81 #QF 0.81 assign (resid 26 and name CG1 ) (resid 48 and name HG2* ) 3.47 1.11 1.66 !peak 177 #SUP 1.00 #QF 0.99 assign (resid 48 and name HG2* ) (resid 54 and name CG1 ) 3.74 1.29 1.94 !peak 177 #SUP 1.00 #QF 0.99 assign (resid 46 and name CG2 ) (resid 48 and name HG2* ) 3.85 1.37 2.05 !peak 178 #SUP 0.86 #QF 0.86 assign (resid 78 and name HG2* ) (resid 79 and name CD ) 3.99 1.46 2.19 !peak 182 #SUP 0.92 #QF 0.92 assign (resid 24 and name CA ) (resid 24 and name HD2* ) 3.67 1.25 1.87 !peak 194 #SUP 0.39 #QF 0.39 assign (resid 24 and name CA ) (resid 24 and name HD1* ) 3.67 1.25 1.87 !peak 197 #SUP 0.90 #QF 0.69 assign (resid 66 and name CA ) (resid 66 and name HD2* ) 3.88 1.39 2.09 !peak 197 #SUP 0.90 #QF 0.69 assign (resid 27 and name CD1 ) (resid 66 and name HD2* ) 3.96 1.44 2.16 !peak 200 #SUP 0.99 #QF 0.79 assign (resid 30 and name CD1 ) (resid 66 and name HD2* ) 4.46 1.77 2.66 !peak 200 #SUP 0.99 #QF 0.79 assign (resid 27 and name CD1 ) (resid 66 and name HD1* ) 3.96 1.44 2.16 !peak 218 #SUP 0.90 #QF 0.79 assign (resid 30 and name CD1 ) (resid 66 and name HD1* ) 4.46 1.77 2.66 !peak 218 #SUP 0.90 #QF 0.79 assign (resid 66 and name CA ) (resid 66 and name HD1* ) 3.88 1.39 2.09 !peak 219 #SUP 0.57 #QF 0.57 assign (resid 44 and name CG1 ) (resid 67 and name HD2* ) 3.53 1.15 1.72 !peak 226 #SUP 0.55 #QF 0.22 assign (resid 67 and name HD2* ) (resid 70 and name CG2 ) 3.86 1.37 2.05 !peak 226 #SUP 0.55 #QF 0.22 assign (resid 21 and name HG2* ) (resid 62 and name CB ) 4.34 1.69 2.54 !peak 242 #SUP 0.73 #QF 0.73 assign (resid 44 and name HG2* ) (resid 58 and name CD ) 4.16 1.57 2.36 !peak 254 #SUP 0.89 #QF 0.89 assign (resid 21 and name HG1* ) (resid 62 and name CB ) 4.34 1.69 2.54 !peak 260 #SUP 0.79 #QF 0.79 assign (resid 30 and name HG2* ) (resid 46 and name CG1 ) 3.90 1.40 2.10 !peak 269 #SUP 0.94 #QF 0.94 assign (resid 22 and name CG2 ) (resid 26 and name HG2* ) 4.57 1.85 2.78 !peak 297 #SUP 0.92 #QF 0.61 assign (resid 26 and name HG2* ) (resid 48 and name CG2 ) 4.57 1.85 2.78 !peak 297 #SUP 0.92 #QF 0.61 assign (resid 56 and name HG2* ) (resid 63 and name CD1 ) 3.59 1.19 1.79 !peak 298 #SUP 0.57 #QF 0.57 assign (resid 3 and name CD1 ) (resid 32 and name HG2* ) 4.14 1.56 2.34 !peak 300 #SUP 0.60 #QF 0.60 assign (resid 1 and name HE* ) (resid 27 and name CD1 ) 3.70 1.27 1.90 !peak 303 #SUP 0.71 #QF 0.71 assign (resid 2 and name HD1* ) (resid 29 and name CG ) 3.25 0.96 1.45 !peak 305 #SUP 0.41 #QF 0.41 assign (resid 22 and name CB ) (resid 46 and name HD1* ) 4.11 1.54 2.31 !peak 306 #SUP 0.87 #QF 0.54 assign (resid 44 and name CB ) (resid 46 and name HD1* ) 4.57 1.85 2.78 !peak 306 #SUP 0.87 #QF 0.54 assign (resid 1 and name HE* ) (resid 24 and name HD* ) 3.38 1.05 1.58 !peak 1246 assign (resid 1 and name HE* ) (resid 66 and name HD* ) 3.64 1.23 1.84 !peak 1317 assign (resid 1 and name CE ) (resid 24 and name HD* ) 3.88 1.39 2.09 !peak 199 assign (resid 1 and name CE ) (resid 66 and name HD* ) 3.90 1.40 2.10 !peak 20100 assign (resid 2 and name HB ) (resid 29 and name HD* ) 4.29 1.66 2.49 !peak 178 assign (resid 2 and name HG2* ) (resid 4 and name HG* ) 3.76 1.31 1.96 !peak 216 assign (resid 2 and name HG2* ) (resid 29 and name HG* ) 3.72 1.28 1.92 !peak 1185 assign (resid 2 and name HG1* ) (resid 3 and name HN ) 4.38 1.72 2.58 !peak 15 assign (resid 3 and name HN ) (resid 3 and name HB* ) 2.83 0.69 1.03 !peak 20003 assign (resid 3 and name HA ) (resid 3 and name HD* ) 3.64 1.23 1.84 !peak 20247 assign (resid 3 and name CG ) (resid 70 and name HG* ) 3.85 1.37 2.05 !peak 168 assign (resid 3 and name HD* ) (resid 4 and name HN ) 3.56 1.17 1.76 !peak 23 assign (resid 3 and name HD* ) (resid 5 and name HB* ) 3.72 1.28 1.92 !peak 1297 assign (resid 3 and name HD* ) (resid 30 and name HG2* ) 3.20 0.93 1.39 !peak 1256 assign (resid 3 and name HD* ) (resid 30 and name CG2 ) 3.70 1.27 1.91 !peak 185 assign (resid 3 and name HD* ) (resid 67 and name HD2* ) 3.05 0.84 1.25 !peak 1249 assign (resid 3 and name HD* ) (resid 70 and name HG* ) 2.76 0.64 0.96 !peak 1230 assign (resid 3 and name HD* ) (resid 70 and name CG2 ) 3.76 1.31 1.97 !peak 183 assign (resid 3 and name HD* ) (resid 71 and name HN ) 3.94 1.42 2.14 !peak 431 assign (resid 3 and name HD* ) (resid 71 and name HE* ) 3.79 1.33 1.99 !peak 589 assign (resid 3 and name CD1 ) (resid 32 and name HG* ) 3.41 1.07 1.61 !peak 300 assign (resid 3 and name CD1 ) (resid 70 and name HG* ) 3.89 1.40 2.09 !peak 169 assign (resid 3 and name CD2 ) (resid 70 and name HG* ) 4.05 1.50 2.25 !peak 169 assign (resid 4 and name HB* ) (resid 5 and name HN ) 3.36 1.04 1.56 !peak 20006 assign (resid 4 and name HB* ) (resid 31 and name HN ) 3.38 1.06 1.58 !peak 20107 assign (resid 4 and name HB* ) (resid 31 and name HA ) 3.47 1.12 1.67 !peak 20424 assign (resid 4 and name HB* ) (resid 31 and name HG1 ) 3.37 1.05 1.57 !peak 20438 assign (resid 4 and name HB* ) (resid 31 and name HE* ) 3.14 0.89 1.34 !peak 20333 assign (resid 4 and name HG* ) (resid 31 and name HE* ) 3.32 1.02 1.52 !peak 590 assign (resid 5 and name HB* ) (resid 32 and name HG* ) 4.07 1.52 2.27 !peak 1297 assign (resid 9 and name HN ) (resid 10 and name HB* ) 4.45 1.77 2.66 !peak 43 assign (resid 9 and name HB* ) (resid 9 and name HD2* ) 2.83 0.69 1.03 !peak 574 assign (resid 9 and name HB* ) (resid 10 and name HN ) 3.77 1.31 1.97 !peak 32 assign (resid 10 and name HN ) (resid 10 and name HB* ) 2.81 0.67 1.01 !peak 30 assign (resid 10 and name HN ) (resid 10 and name HD* ) 3.80 1.33 2.00 !peak 31 assign (resid 10 and name CA ) (resid 10 and name HD* ) 3.13 0.89 1.34 !peak 256 assign (resid 10 and name HA ) (resid 10 and name HD* ) 2.89 0.73 1.10 !peak 709 assign (resid 10 and name HB* ) (resid 11 and name HN ) 2.99 0.79 1.18 !peak 47 assign (resid 10 and name HD* ) (resid 11 and name HN ) 3.66 1.24 1.86 !peak 48 assign (resid 11 and name HN ) (resid 11 and name HG* ) 3.20 0.93 1.39 !peak 46 assign (resid 11 and name HB* ) (resid 12 and name HN ) 3.39 1.06 1.59 !peak 51 assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.05 0.84 1.25 !peak 20015 assign (resid 12 and name HB* ) (resid 13 and name HN ) 3.35 1.04 1.55 !peak 20018 assign (resid 12 and name HB* ) (resid 14 and name HN ) 3.20 0.94 1.40 !peak 20022 assign (resid 13 and name HN ) (resid 13 and name HB* ) 3.02 0.82 1.22 !peak 20020 assign (resid 13 and name HN ) (resid 13 and name HG* ) 3.51 1.14 1.71 !peak 60 assign (resid 13 and name HN ) (resid 13 and name HD* ) 4.33 1.69 2.53 !peak 57 assign (resid 13 and name HN ) (resid 14 and name HB* ) 4.45 1.77 2.66 !peak 57 assign (resid 13 and name HB* ) (resid 13 and name HD* ) 2.87 0.71 1.07 !peak 20263 assign (resid 13 and name HB* ) (resid 14 and name HN ) 3.27 0.98 1.47 !peak 20026 assign (resid 14 and name HN ) (resid 14 and name HB* ) 2.96 0.77 1.16 !peak 20023 assign (resid 14 and name HB* ) (resid 45 and name HG2* ) 3.80 1.33 1.99 !peak 27 assign (resid 16 and name HA* ) (resid 17 and name HN ) 2.53 0.48 0.73 !peak 20029 assign (resid 16 and name HA* ) (resid 17 and name HG* ) 3.47 1.12 1.67 !peak 20299 assign (resid 17 and name HN ) (resid 17 and name HG* ) 2.52 0.48 0.72 !peak 20032 assign (resid 17 and name HA ) (resid 55 and name HB* ) 3.35 1.04 1.55 !peak 20347 assign (resid 17 and name HG* ) (resid 18 and name HN ) 3.05 0.84 1.25 !peak 78 assign (resid 17 and name HG* ) (resid 18 and name HA ) 3.68 1.25 1.88 !peak 913 assign (resid 17 and name HG* ) (resid 55 and name CB ) 3.34 1.03 1.55 !peak 20031 assign (resid 17 and name HG* ) (resid 55 and name HB* ) 3.14 0.89 1.34 !peak 20016 assign (resid 17 and name HG* ) (resid 56 and name HA ) 3.22 0.94 1.42 !peak 926 assign (resid 17 and name HG* ) (resid 57 and name HN ) 3.41 1.08 1.61 !peak 331 assign (resid 17 and name HG* ) (resid 57 and name CA ) 3.21 0.94 1.41 !peak 20046 assign (resid 17 and name HG* ) (resid 57 and name HA ) 3.25 0.96 1.45 !peak 1064 assign (resid 17 and name HG* ) (resid 57 and name CB ) 3.32 1.01 1.51 !peak 109 assign (resid 17 and name HG* ) (resid 57 and name HB2 ) 3.56 1.17 1.76 !peak 20026 assign (resid 17 and name HG* ) (resid 57 and name HB1 ) 3.52 1.15 1.72 !peak 20027 assign (resid 17 and name HG* ) (resid 57 and name HD21 ) 3.49 1.13 1.69 !peak 20323 assign (resid 17 and name HG* ) (resid 57 and name HD22 ) 4.09 1.52 2.29 !peak 603 assign (resid 17 and name HG* ) (resid 58 and name HD* ) 3.57 1.18 1.77 !peak 20014 assign (resid 18 and name HN ) (resid 55 and name HB* ) 3.99 1.46 2.19 !peak 495 assign (resid 18 and name HD1* ) (resid 55 and name HB* ) 4.45 1.77 2.66 !peak 781 assign (resid 21 and name HN ) (resid 21 and name HG* ) 2.68 0.59 0.88 !peak 20048 assign (resid 21 and name HG* ) (resid 23 and name HN ) 3.61 1.21 1.81 !peak 20056 assign (resid 21 and name HG* ) (resid 62 and name CB ) 3.84 1.36 2.04 !peak 242 assign (resid 21 and name HG* ) (resid 62 and name HB* ) 3.85 1.37 2.05 !peak 20260 assign (resid 21 and name HG* ) (resid 62 and name HE1 ) 3.28 0.98 1.48 !peak 20225 assign (resid 22 and name HG* ) (resid 23 and name HN ) 2.77 0.64 0.97 !peak 20054 assign (resid 22 and name HG* ) (resid 24 and name HN ) 4.09 1.52 2.29 !peak 109 assign (resid 22 and name HG* ) (resid 26 and name CG1 ) 3.37 1.05 1.57 !peak 20044 assign (resid 22 and name HG* ) (resid 26 and name HG1* ) 3.29 1.00 1.49 !peak 1281 assign (resid 22 and name HG* ) (resid 26 and name CD1 ) 3.04 0.83 1.24 !peak 103 assign (resid 22 and name HG* ) (resid 27 and name HN ) 3.11 0.88 1.31 !peak 148 assign (resid 22 and name HG* ) (resid 27 and name CA ) 4.04 1.50 2.24 !peak 20043 assign (resid 22 and name HG* ) (resid 27 and name CG1 ) 3.48 1.12 1.68 !peak 83 assign (resid 22 and name HG* ) (resid 46 and name HA ) 4.41 1.74 2.61 !peak 38 assign (resid 22 and name HG* ) (resid 46 and name HB ) 3.94 1.43 2.14 !peak 1360 assign (resid 22 and name HG* ) (resid 46 and name HG2* ) 2.97 0.78 1.17 !peak 1302 assign (resid 22 and name HG* ) (resid 46 and name CG2 ) 3.26 0.97 1.45 !peak 102 assign (resid 22 and name HG* ) (resid 48 and name HB ) 3.72 1.28 1.92 !peak 39 assign (resid 22 and name HG* ) (resid 48 and name HG2* ) 3.03 0.82 1.23 !peak 20481 assign (resid 22 and name HG* ) (resid 54 and name HD1* ) 3.01 0.81 1.21 !peak 1146 assign (resid 22 and name HG* ) (resid 62 and name HE1 ) 4.44 1.76 2.64 !peak 548 assign (resid 22 and name HG* ) (resid 62 and name HZ2 ) 3.82 1.35 2.03 !peak 36 assign (resid 22 and name HG* ) (resid 62 and name HH2 ) 3.45 1.10 1.65 !peak 37 assign (resid 23 and name HN ) (resid 26 and name HG1* ) 3.47 1.12 1.67 !peak 20052 assign (resid 23 and name HA* ) (resid 24 and name HN ) 2.40 0.40 0.60 !peak 112 assign (resid 23 and name HA* ) (resid 25 and name HN ) 3.22 0.95 1.43 !peak 20064 assign (resid 23 and name HA* ) (resid 26 and name HN ) 3.64 1.23 1.85 !peak 20072 assign (resid 23 and name HA* ) (resid 26 and name HD1* ) 4.40 1.73 2.60 !peak 12 assign (resid 24 and name HN ) (resid 24 and name HD* ) 3.28 0.98 1.48 !peak 108 assign (resid 24 and name HA ) (resid 24 and name HD* ) 3.17 0.92 1.37 !peak 20248 assign (resid 24 and name HA ) (resid 26 and name HG1* ) 3.48 1.12 1.68 !peak 20377 assign (resid 24 and name HB* ) (resid 24 and name HG ) 2.41 0.40 0.61 !peak 511 assign (resid 24 and name HB* ) (resid 26 and name HN ) 3.68 1.25 1.88 !peak 20076 assign (resid 24 and name HB* ) (resid 27 and name HD1* ) 3.52 1.15 1.72 !peak 1136 assign (resid 24 and name HB* ) (resid 66 and name HD* ) 3.61 1.21 1.81 !peak 20522 assign (resid 24 and name HD* ) (resid 25 and name HN ) 3.23 0.96 1.43 !peak 20070 assign (resid 24 and name HD* ) (resid 27 and name CD1 ) 3.84 1.36 2.04 !peak 20090 assign (resid 24 and name HD* ) (resid 66 and name HD* ) 2.93 0.75 1.12 !peak 1254 assign (resid 25 and name HB* ) (resid 25 and name HD2* ) 2.62 0.55 0.83 !peak 20325 assign (resid 26 and name HN ) (resid 26 and name HG1* ) 2.82 0.68 1.02 !peak 20077 assign (resid 26 and name HA ) (resid 49 and name HG* ) 4.15 1.56 2.35 !peak 891 assign (resid 26 and name HA ) (resid 49 and name HE* ) 3.90 1.40 2.10 !peak 888 assign (resid 26 and name HG1* ) (resid 27 and name HN ) 3.35 1.04 1.55 !peak 20086 assign (resid 27 and name HG2* ) (resid 30 and name HG1* ) 3.25 0.96 1.45 !peak 20506 assign (resid 27 and name HD1* ) (resid 66 and name HD* ) 2.96 0.77 1.16 !peak 1204 assign (resid 27 and name CD1 ) (resid 66 and name HD* ) 3.44 1.10 1.64 !peak 200 assign (resid 28 and name HN ) (resid 47 and name HB* ) 3.64 1.23 1.85 !peak 20284 assign (resid 28 and name HN ) (resid 49 and name HG* ) 3.75 1.30 1.95 !peak 160 assign (resid 28 and name HB* ) (resid 29 and name HN ) 2.87 0.71 1.07 !peak 20100 assign (resid 28 and name HB* ) (resid 49 and name HN ) 3.49 1.13 1.69 !peak 263 assign (resid 28 and name HB* ) (resid 49 and name HA ) 3.33 1.02 1.53 !peak 20362 assign (resid 28 and name HB* ) (resid 49 and name HG* ) 3.80 1.33 1.99 !peak 20088 assign (resid 28 and name HB* ) (resid 51 and name HN ) 4.45 1.77 2.66 !peak 285 assign (resid 29 and name HN ) (resid 29 and name HB* ) 3.16 0.90 1.36 !peak 168 assign (resid 29 and name HN ) (resid 29 and name HG* ) 3.83 1.36 2.03 !peak 169 assign (resid 29 and name HN ) (resid 47 and name HB* ) 3.14 0.89 1.34 !peak 20099 assign (resid 29 and name HB* ) (resid 30 and name HN ) 3.03 0.82 1.23 !peak 172 assign (resid 29 and name HG* ) (resid 30 and name HN ) 3.45 1.10 1.65 !peak 20104 assign (resid 30 and name HN ) (resid 30 and name HG1* ) 3.50 1.13 1.70 !peak 20105 assign (resid 30 and name HB ) (resid 70 and name HG* ) 3.70 1.27 1.90 !peak 1274 assign (resid 30 and name HG2* ) (resid 32 and name HG* ) 3.11 0.88 1.31 !peak 1306 assign (resid 30 and name HG2* ) (resid 46 and name HG1* ) 3.87 1.38 2.07 !peak 445 assign (resid 30 and name HG2* ) (resid 66 and name HB* ) 4.28 1.65 2.48 !peak 1338 assign (resid 30 and name CG2 ) (resid 32 and name HG* ) 3.50 1.13 1.70 !peak 206 assign (resid 30 and name CG2 ) (resid 70 and name HG* ) 4.43 1.75 2.62 !peak 83 assign (resid 30 and name HG1* ) (resid 46 and name HA ) 3.94 1.42 2.14 !peak 921 assign (resid 30 and name HG1* ) (resid 46 and name HG2* ) 3.38 1.06 1.58 !peak 1173 assign (resid 30 and name HD1* ) (resid 66 and name HB* ) 3.55 1.17 1.76 !peak 20509 assign (resid 30 and name HD1* ) (resid 66 and name HD* ) 2.88 0.72 1.08 !peak 1255 assign (resid 30 and name HD1* ) (resid 70 and name HG* ) 3.01 0.81 1.22 !peak 1233 assign (resid 30 and name CD1 ) (resid 66 and name HD* ) 3.39 1.06 1.59 !peak 200 assign (resid 30 and name CD1 ) (resid 70 and name HG* ) 4.24 1.63 2.45 !peak 81 assign (resid 31 and name HN ) (resid 32 and name HG* ) 3.97 1.44 2.17 !peak 179 assign (resid 31 and name HG1 ) (resid 31 and name HE* ) 3.11 0.88 1.31 !peak 20316 assign (resid 32 and name HN ) (resid 32 and name HG* ) 3.10 0.87 1.30 !peak 500 assign (resid 32 and name HG* ) (resid 33 and name HN ) 3.09 0.86 1.29 !peak 20112 assign (resid 32 and name HG* ) (resid 34 and name HD* ) 3.74 1.29 1.93 !peak 48 assign (resid 32 and name HG* ) (resid 44 and name HG1* ) 3.20 0.94 1.40 !peak 1285 assign (resid 32 and name HG* ) (resid 67 and name HD1* ) 2.93 0.75 1.12 !peak 20490 assign (resid 32 and name HG* ) (resid 67 and name HD2* ) 3.05 0.84 1.25 !peak 1235 assign (resid 32 and name HG* ) (resid 67 and name CD1 ) 3.46 1.11 1.66 !peak 20092 assign (resid 32 and name HG* ) (resid 67 and name CD2 ) 3.81 1.34 2.01 !peak 20144 assign (resid 33 and name HA ) (resid 34 and name HD* ) 3.11 0.88 1.31 !peak 1079 assign (resid 33 and name HG2* ) (resid 34 and name HD* ) 3.47 1.12 1.67 !peak 20252 assign (resid 36 and name HN ) (resid 39 and name HB* ) 4.45 1.77 2.66 !peak 502 assign (resid 36 and name HA* ) (resid 37 and name HA ) 3.80 1.33 2.00 !peak 789 assign (resid 36 and name HA* ) (resid 38 and name HN ) 3.88 1.38 2.08 !peak 200 assign (resid 37 and name HB* ) (resid 37 and name HD2* ) 2.80 0.67 1.00 !peak 595 assign (resid 39 and name HA ) (resid 40 and name HD* ) 3.05 0.84 1.25 !peak 1085 assign (resid 39 and name HB* ) (resid 41 and name HN ) 3.91 1.41 2.11 !peak 504 assign (resid 40 and name HD* ) (resid 41 and name HN ) 3.14 0.89 1.34 !peak 20271 assign (resid 41 and name HN ) (resid 41 and name HB* ) 2.82 0.68 1.02 !peak 20122 assign (resid 41 and name HN ) (resid 41 and name HG* ) 2.79 0.66 0.99 !peak 20123 assign (resid 41 and name HB* ) (resid 41 and name HE* ) 3.88 1.38 2.08 !peak 652 assign (resid 41 and name HB* ) (resid 42 and name HN ) 2.83 0.69 1.03 !peak 20126 assign (resid 41 and name HG* ) (resid 42 and name HN ) 4.10 1.54 2.30 !peak 466 assign (resid 42 and name HG2* ) (resid 58 and name HB* ) 3.22 0.94 1.42 !peak 1229 assign (resid 43 and name HN ) (resid 43 and name HG* ) 3.70 1.27 1.90 !peak 20129 assign (resid 43 and name HB* ) (resid 44 and name HN ) 3.38 1.05 1.58 !peak 20132 assign (resid 44 and name HG2* ) (resid 58 and name HB* ) 3.14 0.89 1.34 !peak 1331 assign (resid 44 and name HG2* ) (resid 58 and name HD* ) 3.53 1.15 1.73 !peak 20288 assign (resid 45 and name HB ) (resid 53 and name HG* ) 3.88 1.39 2.09 !peak 20125 assign (resid 45 and name HG1* ) (resid 53 and name HG* ) 2.67 0.58 0.87 !peak 20497 assign (resid 45 and name HG2* ) (resid 53 and name HG* ) 3.34 1.03 1.55 !peak 20460 assign (resid 46 and name HN ) (resid 46 and name HG1* ) 3.62 1.21 1.82 !peak 20138 assign (resid 46 and name HN ) (resid 53 and name HG* ) 3.74 1.29 1.93 !peak 20288 assign (resid 47 and name HN ) (resid 47 and name HB* ) 3.00 0.80 1.20 !peak 20141 assign (resid 47 and name CA ) (resid 53 and name HG* ) 3.98 1.46 2.18 !peak 3 assign (resid 47 and name HA ) (resid 53 and name HG* ) 3.85 1.37 2.05 !peak 7 assign (resid 47 and name HB* ) (resid 48 and name HN ) 3.20 0.93 1.39 !peak 20146 assign (resid 47 and name HD1 ) (resid 53 and name HG* ) 3.93 1.42 2.13 !peak 6 assign (resid 47 and name HE1 ) (resid 53 and name HG* ) 3.13 0.89 1.34 !peak 246 assign (resid 48 and name HN ) (resid 53 and name HG* ) 3.59 1.19 1.78 !peak 20148 assign (resid 49 and name HN ) (resid 49 and name HG* ) 2.90 0.73 1.10 !peak 20156 assign (resid 49 and name HA ) (resid 49 and name HG* ) 3.11 0.88 1.31 !peak 20365 assign (resid 49 and name HG* ) (resid 49 and name HE* ) 2.93 0.75 1.13 !peak 650 assign (resid 49 and name HG* ) (resid 50 and name HN ) 4.04 1.50 2.24 !peak 279 assign (resid 50 and name HN ) (resid 50 and name HG* ) 3.13 0.89 1.34 !peak 20163 assign (resid 50 and name HN ) (resid 52 and name HD* ) 3.70 1.27 1.90 !peak 549 assign (resid 50 and name HA ) (resid 51 and name HG* ) 3.61 1.21 1.82 !peak 20403 assign (resid 50 and name HG* ) (resid 51 and name HN ) 3.68 1.25 1.88 !peak 20170 assign (resid 51 and name HN ) (resid 51 and name HB* ) 2.86 0.71 1.06 !peak 20173 assign (resid 51 and name HN ) (resid 51 and name HG* ) 2.93 0.75 1.12 !peak 292 assign (resid 51 and name HN ) (resid 52 and name HD* ) 3.41 1.08 1.61 !peak 290 assign (resid 51 and name HA ) (resid 51 and name HG* ) 3.14 0.89 1.34 !peak 984 assign (resid 51 and name HA ) (resid 52 and name HD* ) 3.70 1.27 1.91 !peak 20381 assign (resid 51 and name HB* ) (resid 52 and name HN ) 3.35 1.04 1.55 !peak 20178 assign (resid 51 and name HB* ) (resid 52 and name HD* ) 3.98 1.46 2.18 !peak 432 assign (resid 52 and name HN ) (resid 52 and name HD* ) 2.68 0.59 0.89 !peak 300 assign (resid 52 and name HN ) (resid 53 and name HG* ) 4.08 1.52 2.28 !peak 20180 assign (resid 52 and name HA ) (resid 52 and name HD* ) 3.42 1.08 1.62 !peak 1041 assign (resid 52 and name HG1 ) (resid 52 and name HE* ) 3.17 0.92 1.37 !peak 651 assign (resid 53 and name HN ) (resid 53 and name HG* ) 2.82 0.68 1.02 !peak 20183 assign (resid 53 and name HG* ) (resid 54 and name HN ) 3.00 0.80 1.20 !peak 20187 assign (resid 53 and name HG* ) (resid 55 and name HN ) 4.24 1.63 2.44 !peak 321 assign (resid 54 and name HG2* ) (resid 55 and name HB* ) 4.45 1.77 2.66 !peak 781 assign (resid 55 and name HN ) (resid 55 and name HB* ) 2.81 0.67 1.01 !peak 20189 assign (resid 55 and name HB* ) (resid 56 and name HN ) 3.61 1.21 1.81 !peak 20195 assign (resid 57 and name HN ) (resid 58 and name HD* ) 3.88 1.39 2.09 !peak 20199 assign (resid 57 and name HD21 ) (resid 59 and name HD* ) 3.89 1.40 2.09 !peak 577 assign (resid 57 and name HD22 ) (resid 59 and name HB* ) 3.35 1.04 1.55 !peak 20330 assign (resid 58 and name HB* ) (resid 59 and name HN ) 3.42 1.08 1.62 !peak 339 assign (resid 58 and name HB* ) (resid 60 and name HN ) 4.45 1.77 2.66 !peak 479 assign (resid 58 and name HD* ) (resid 59 and name HN ) 3.43 1.09 1.64 !peak 335 assign (resid 59 and name HN ) (resid 59 and name HB* ) 2.78 0.65 0.97 !peak 20206 assign (resid 59 and name HN ) (resid 59 and name HD* ) 3.91 1.41 2.11 !peak 336 assign (resid 59 and name HA ) (resid 59 and name HG* ) 3.26 0.97 1.45 !peak 729 assign (resid 59 and name HA ) (resid 59 and name HD* ) 3.91 1.41 2.11 !peak 727 assign (resid 59 and name HB* ) (resid 60 and name HA ) 3.88 1.39 2.09 !peak 413 assign (resid 61 and name HA ) (resid 61 and name HD* ) 3.94 1.43 2.14 !peak 896 assign (resid 61 and name HA ) (resid 64 and name HG* ) 3.84 1.36 2.04 !peak 20334 assign (resid 61 and name HB* ) (resid 62 and name HA ) 3.55 1.17 1.75 !peak 20370 assign (resid 62 and name HN ) (resid 62 and name HB* ) 3.02 0.82 1.22 !peak 20010 assign (resid 62 and name HE3 ) (resid 66 and name HD* ) 3.75 1.30 1.95 !peak 20242 assign (resid 62 and name HZ3 ) (resid 66 and name HD* ) 3.22 0.95 1.43 !peak 20243 assign (resid 63 and name CA ) (resid 66 and name HD* ) 4.47 1.78 2.67 !peak 220 assign (resid 63 and name HA ) (resid 66 and name HB* ) 3.68 1.25 1.88 !peak 20387 assign (resid 63 and name HA ) (resid 66 and name HD* ) 3.87 1.38 2.07 !peak 20245 assign (resid 63 and name HD1* ) (resid 66 and name HB* ) 4.45 1.77 2.66 !peak 1265 assign (resid 63 and name HD1* ) (resid 66 and name HD* ) 3.89 1.40 2.09 !peak 1155 assign (resid 63 and name CD1 ) (resid 66 and name HD* ) 3.49 1.13 1.70 !peak 280 assign (resid 64 and name HN ) (resid 64 and name HG* ) 2.78 0.65 0.98 !peak 20233 assign (resid 64 and name HA ) (resid 67 and name HB* ) 3.82 1.35 2.02 !peak 20359 assign (resid 64 and name HB* ) (resid 65 and name HN ) 2.81 0.67 1.01 !peak 20243 assign (resid 64 and name HB* ) (resid 67 and name HG ) 3.97 1.44 2.17 !peak 20233 assign (resid 64 and name HB* ) (resid 67 and name HD1* ) 4.12 1.54 2.32 !peak 456 assign (resid 64 and name HG* ) (resid 64 and name HE21 ) 2.78 0.65 0.97 !peak 20074 assign (resid 64 and name HG* ) (resid 64 and name HE22 ) 3.07 0.85 1.28 !peak 20319 assign (resid 64 and name HE21 ) (resid 67 and name HB* ) 3.79 1.33 1.99 !peak 132 assign (resid 65 and name HN ) (resid 65 and name HB* ) 2.62 0.55 0.83 !peak 20242 assign (resid 65 and name HN ) (resid 65 and name HG* ) 2.94 0.76 1.14 !peak 20244 assign (resid 65 and name HN ) (resid 65 and name HD* ) 3.99 1.46 2.19 !peak 385 assign (resid 65 and name HA ) (resid 68 and name HB* ) 3.86 1.38 2.06 !peak 409 assign (resid 65 and name HB* ) (resid 66 and name HN ) 2.84 0.69 1.04 !peak 395 assign (resid 66 and name HN ) (resid 66 and name HB* ) 2.84 0.69 1.04 !peak 395 assign (resid 66 and name HN ) (resid 66 and name HD* ) 3.20 0.94 1.40 !peak 20248 assign (resid 66 and name HA ) (resid 66 and name HD* ) 3.13 0.88 1.33 !peak 20244 assign (resid 66 and name HA ) (resid 70 and name HG* ) 3.98 1.46 2.18 !peak 974 assign (resid 66 and name HB* ) (resid 67 and name HN ) 3.28 0.98 1.48 !peak 20253 assign (resid 66 and name HD* ) (resid 67 and name HN ) 3.84 1.36 2.04 !peak 20256 assign (resid 66 and name HD* ) (resid 67 and name HD2* ) 3.58 1.19 1.78 !peak 1222 assign (resid 66 and name HD* ) (resid 70 and name CG1 ) 4.43 1.75 2.63 !peak 217 assign (resid 67 and name HN ) (resid 67 and name HB* ) 3.13 0.88 1.33 !peak 20254 assign (resid 67 and name CA ) (resid 70 and name HG* ) 3.86 1.38 2.06 !peak 165 assign (resid 67 and name HA ) (resid 70 and name HG* ) 3.17 0.92 1.37 !peak 622 assign (resid 67 and name HB* ) (resid 68 and name HN ) 2.86 0.71 1.06 !peak 413 assign (resid 67 and name HB* ) (resid 70 and name HG* ) 3.99 1.46 2.19 !peak 1274 assign (resid 67 and name HB* ) (resid 71 and name HE* ) 4.02 1.48 2.22 !peak 561 assign (resid 67 and name HD1* ) (resid 71 and name HE* ) 3.62 1.21 1.82 !peak 562 assign (resid 67 and name HD2* ) (resid 70 and name HG* ) 3.19 0.92 1.39 !peak 1276 assign (resid 67 and name HD2* ) (resid 71 and name HE* ) 4.45 1.77 2.66 !peak 588 assign (resid 67 and name CD2 ) (resid 70 and name HG* ) 3.55 1.17 1.76 !peak 273 assign (resid 68 and name HN ) (resid 68 and name HB* ) 2.66 0.58 0.86 !peak 412 assign (resid 68 and name HN ) (resid 68 and name HG* ) 3.41 1.07 1.61 !peak 20260 assign (resid 68 and name HA ) (resid 68 and name HD* ) 4.02 1.48 2.22 !peak 953 assign (resid 68 and name HA ) (resid 71 and name HB* ) 3.72 1.28 1.92 !peak 954 assign (resid 68 and name HA ) (resid 71 and name HE* ) 4.00 1.46 2.20 !peak 558 assign (resid 68 and name HB* ) (resid 69 and name HN ) 3.35 1.04 1.55 !peak 508 assign (resid 69 and name HN ) (resid 69 and name HB* ) 3.05 0.84 1.25 !peak 20264 assign (resid 69 and name HB* ) (resid 70 and name HN ) 3.43 1.09 1.64 !peak 266 assign (resid 70 and name HN ) (resid 70 and name HG* ) 2.93 0.75 1.12 !peak 425 assign (resid 70 and name HG* ) (resid 71 and name HN ) 3.72 1.28 1.92 !peak 270 assign (resid 71 and name HN ) (resid 71 and name HG* ) 3.32 1.02 1.52 !peak 428 assign (resid 71 and name HB* ) (resid 71 and name HE* ) 3.20 0.94 1.40 !peak 585 assign (resid 71 and name HG* ) (resid 71 and name HE* ) 2.86 0.71 1.06 !peak 584 assign (resid 75 and name CA ) (resid 75 and name HD* ) 3.12 0.88 1.32 !peak 186 assign (resid 75 and name HA ) (resid 75 and name HD* ) 3.01 0.81 1.22 !peak 719 assign (resid 78 and name HA ) (resid 79 and name HD* ) 2.66 0.58 0.86 !peak 906 assign (resid 78 and name HB ) (resid 79 and name HD* ) 3.70 1.27 1.90 !peak 756 assign (resid 80 and name HN ) (resid 80 and name HB* ) 3.17 0.92 1.37 !peak 487 assign (resid 81 and name HB* ) (resid 82 and name HD* ) 3.33 1.02 1.53 !peak 60 assign (resid 12 and name SG ) (resid 39 and name SG ) 2.10 0.20 0.30 ! assign (resid 12 and name SG ) (resid 39 and name CB ) 2.85 0.70 1.05 ! assign (resid 12 and name CB ) (resid 39 and name SG ) 2.85 0.70 1.05 ! assign (resid 14 and name SG ) (resid 55 and name SG ) 2.10 0.20 0.30 ! assign (resid 14 and name SG ) (resid 55 and name CB ) 2.85 0.70 1.05 ! assign (resid 14 and name CB ) (resid 55 and name SG ) 2.85 0.70 1.05 !
Contact the webmaster for help, if required. Friday, May 17, 2024 9:50:21 PM GMT (wattos1)