============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 7 1.040 50.875 -61.972 0.259 -99.200 -91.000 TRP6 7 1.020 50.569 -61.057 -1.895 -99.200 -91.000 TYR 18 0.840 37.027 -64.085 20.660 -99.200 -91.000 TRP 26 1.040 36.138 -75.196 9.991 -99.200 -91.000 TRP6 26 1.020 34.584 -75.115 8.224 -99.200 -91.000 PHE 28 1.000 36.626 -66.671 11.945 -99.200 -91.000 TYR 61 0.840 30.628 -78.687 0.071 -99.200 -91.000 PHE 70 1.000 38.600 -82.078 6.333 -99.200 -91.000 PHE 75 1.000 40.086 -72.261 0.049 -99.200 -91.000 TYR 77 0.840 29.090 -73.143 0.573 -99.200 -91.000 TYR 90 0.840 25.400 -66.474 6.505 -99.200 -91.000 TYR 92 0.840 32.394 -66.657 14.105 -99.200 -91.000 TYR 101 0.840 25.170 -67.678 -1.182 -99.200 -91.000 TYR 105 0.840 22.386 -58.682 1.185 -99.200 -91.000 TYR 113 0.840 40.363 -76.985 -3.402 -99.200 -91.000 TYR 118 0.840 53.223 -84.022 5.197 -99.200 -91.000 HIS 142 0.900 52.490 -79.434 21.074 -99.200 -91.000 PHE 145 1.000 49.565 -71.649 17.773 -99.200 -91.000 PHE 146 1.000 45.888 -69.274 25.789 -99.200 -91.000 TYR 148 0.840 54.270 -65.898 19.079 -99.200 -91.000 TYR 153 0.840 55.217 -71.991 18.822 -99.200 -91.000 TYR 154 0.840 62.317 -75.657 17.088 -99.200 -91.000 HIS 164 0.900 44.268 -72.831 15.232 -99.200 -91.000 TYR 171 0.840 58.531 -65.593 1.924 -99.200 -91.000 TYR 179 0.840 59.392 -63.837 10.334 -99.200 -91.000 TRP 180 1.040 56.647 -70.986 7.203 -99.200 -91.000 TRP6 180 1.020 56.662 -70.569 4.891 -99.200 -91.000 TRP 186 1.040 42.735 -69.031 18.608 -99.200 -91.000 TRP6 186 1.020 44.557 -70.193 19.545 -99.200 -91.000 HIS 188 0.900 42.781 -56.577 19.656 -99.200 -91.000 PHE 190 1.000 48.042 -66.352 19.140 -99.200 -91.000 TYR 195 0.840 48.620 -60.927 11.587 -99.200 -91.000 HIS 205 0.900 58.666 -76.396 14.982 -99.200 -91.000 PHE 211 1.000 44.359 -80.116 4.828 -99.200 -91.000 TYR 214 0.840 47.414 -71.040 -4.637 -99.200 -91.000