============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 91.112 138.732 260.885 -99.200 -91.000 PHE 29 1.000 96.334 141.931 257.655 -99.200 -91.000 PHE 32 1.000 93.259 136.472 265.131 -99.200 -91.000 HIS 35 0.900 99.538 128.696 258.259 -99.200 -91.000 TRP 36 1.040 100.234 133.871 251.735 -99.200 -91.000 TRP6 36 1.020 98.655 134.740 250.212 -99.200 -91.000 PHE 45 1.000 93.705 122.086 249.570 -99.200 -91.000 TRP 47 1.040 102.484 126.239 255.351 -99.200 -91.000 TRP6 47 1.020 104.762 126.157 255.986 -99.200 -91.000 TRP 50 1.040 103.905 130.329 259.753 -99.200 -91.000 TRP6 50 1.020 105.092 131.889 261.074 -99.200 -91.000 TYR 54 0.840 102.057 142.198 267.831 -99.200 -91.000 PHE 60 1.000 109.917 132.752 253.761 -99.200 -91.000 PHE 64 1.000 106.101 126.036 246.987 -99.200 -91.000 PHE 70 1.000 104.967 133.490 252.378 -99.200 -91.000 TYR 80 0.840 99.669 143.179 249.357 -99.200 -91.000 TYR 94 0.840 99.701 129.652 243.685 -99.200 -91.000 TYR 95 0.840 92.426 127.364 247.874 -99.200 -91.000 TYR 102 0.840 98.261 131.137 272.789 -99.200 -91.000 TRP 104 1.040 96.973 130.773 280.784 -99.200 -91.000 TRP6 104 1.020 98.894 132.147 280.713 -99.200 -91.000 TYR 111 0.840 101.117 129.703 264.194 -99.200 -91.000 TRP 115 1.040 90.913 126.940 254.595 -99.200 -91.000 TRP6 115 1.020 92.620 125.936 253.301 -99.200 -91.000 PHE 134 1.000 85.847 123.093 214.608 -99.200 -91.000 TYR 157 0.840 88.637 127.199 225.877 -99.200 -91.000 PHE 158 1.000 96.458 130.303 227.967 -99.200 -91.000 TRP 166 1.040 73.428 123.835 224.422 -99.200 -91.000 TRP6 166 1.020 73.734 123.091 222.199 -99.200 -91.000 HIS 176 0.900 74.921 116.093 231.650 -99.200 -91.000 PHE 178 1.000 80.864 116.191 229.096 -99.200 -91.000 TYR 188 0.840 92.896 125.688 229.593 -99.200 -91.000 TYR 206 0.840 67.374 121.132 219.475 -99.200 -91.000 HIS 212 0.900 88.360 132.620 225.297 -99.200 -91.000