============================================================================= 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 21 1.000 -13.382 23.093 35.297 -99.200 -91.000 HIS 34 0.900 -15.574 16.768 20.489 -99.200 -91.000 TRP 35 1.040 -12.886 19.885 27.680 -99.200 -91.000 TRP6 35 1.020 -12.831 19.023 29.890 -99.200 -91.000 TYR 36 0.840 -20.611 18.839 24.952 -99.200 -91.000 TYR 50 0.840 -12.825 17.284 16.369 -99.200 -91.000 PHE 62 1.000 -15.435 29.153 29.900 -99.200 -91.000 PHE 71 1.000 -7.717 14.508 25.496 -99.200 -91.000 TYR 86 0.840 -17.359 24.137 33.725 -99.200 -91.000 TYR 87 0.840 -21.637 16.687 32.972 -99.200 -91.000 TRP 94 1.040 -21.349 3.921 17.890 -99.200 -91.000 TRP6 94 1.020 -22.386 2.181 19.108 -99.200 -91.000 PHE 96 1.000 -19.931 10.193 18.825 -99.200 -91.000 PHE 98 1.000 -22.088 13.081 26.933 -99.200 -91.000 PHE 118 1.000 -41.868 37.773 51.955 -99.200 -91.000 PHE 135 1.000 -38.504 33.804 49.780 -99.200 -91.000 PHE 139 1.000 -27.435 31.222 53.262 -99.200 -91.000 TYR 140 0.840 -18.980 31.510 50.443 -99.200 -91.000 TRP 148 1.040 -39.992 28.373 60.703 -99.200 -91.000 TRP6 148 1.020 -41.213 30.205 59.839 -99.200 -91.000 TRP 163 1.040 -30.687 24.447 52.808 -99.200 -91.000 TRP6 163 1.020 -32.105 22.594 53.275 -99.200 -91.000 TYR 173 0.840 -23.568 28.188 48.607 -99.200 -91.000 TYR 186 0.840 -51.939 32.778 60.111 -99.200 -91.000 HIS 189 0.900 -50.447 29.016 68.336 -99.200 -91.000 TYR 192 0.840 -48.058 32.233 63.083 -99.200 -91.000 HIS 198 0.900 -23.901 32.691 57.385 -99.200 -91.000 PHE 209 1.000 -46.512 36.910 60.193 -99.200 -91.000