============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 30 1.000 215.165 115.541 5.999 -99.200 -91.000 TYR 37 0.840 212.061 113.359 14.014 -99.200 -91.000 TRP 40 1.040 220.446 122.009 20.360 -99.200 -91.000 TRP6 40 1.020 222.672 121.686 21.079 -99.200 -91.000 TYR 41 0.840 215.740 117.416 25.769 -99.200 -91.000 TYR 54 0.840 209.553 121.401 18.989 -99.200 -91.000 TRP 55 1.040 210.253 118.234 14.751 -99.200 -91.000 TRP6 55 1.020 208.105 119.224 14.623 -99.200 -91.000 PHE 67 1.000 218.448 129.996 25.802 -99.200 -91.000 PHE 76 1.000 221.620 118.252 13.722 -99.200 -91.000 TYR 91 0.840 222.657 125.563 27.707 -99.200 -91.000 TYR 92 0.840 223.533 116.984 29.337 -99.200 -91.000 TYR 97 0.840 216.520 108.652 11.286 -99.200 -91.000 PHE 102 1.000 219.220 112.674 26.769 -99.200 -91.000 PHE 122 1.000 232.943 128.782 61.121 -99.200 -91.000 PHE 139 1.000 232.086 126.761 56.018 -99.200 -91.000 PHE 143 1.000 237.128 130.660 45.793 -99.200 -91.000 TYR 144 0.840 235.456 134.302 38.067 -99.200 -91.000 TRP 152 1.040 243.378 122.803 56.793 -99.200 -91.000 TRP6 152 1.020 241.988 123.740 58.462 -99.200 -91.000 TRP 167 1.040 237.159 124.393 44.685 -99.200 -91.000 TRP6 167 1.020 238.877 122.794 44.967 -99.200 -91.000 TYR 177 0.840 233.778 129.001 40.299 -99.200 -91.000 TYR 190 0.840 240.705 120.626 68.757 -99.200 -91.000 HIS 193 0.900 250.009 119.241 67.826 -99.200 -91.000 TYR 196 0.840 244.243 122.803 65.990 -99.200 -91.000 HIS 202 0.900 241.168 133.966 44.195 -99.200 -91.000 PHE 213 1.000 240.464 126.931 66.110 -99.200 -91.000