============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 5 1.040 5.263 68.128 3.879 -99.200 -91.000 TRP6 5 1.020 7.344 69.183 4.272 -99.200 -91.000 PHE 16 1.000 8.954 71.431 22.704 -99.200 -91.000 HIS 18 0.900 17.461 64.244 23.835 -99.200 -91.000 PHE 24 1.000 7.041 73.443 32.334 -99.200 -91.000 PHE 52 1.000 10.097 72.159 9.225 -99.200 -91.000 TYR 73 0.840 6.312 70.997 -1.143 -99.200 -91.000 TYR 84 0.840 6.134 85.631 31.740 -99.200 -91.000 PHE 86 1.000 9.919 75.435 28.428 -99.200 -91.000 PHE 92 1.000 -2.730 77.347 29.545 -99.200 -91.000 PHE 93 1.000 5.366 74.372 27.488 -99.200 -91.000 PHE 100 1.000 1.237 78.315 4.141 -99.200 -91.000 HIS 101 0.900 2.710 72.111 -4.207 -99.200 -91.000 TYR 107 0.840 0.948 68.058 8.560 -99.200 -91.000 PHE 109 1.000 4.105 69.966 13.688 -99.200 -91.000 TYR 111 0.840 4.628 67.970 21.236 -99.200 -91.000 TYR 119 0.840 -4.598 70.708 19.595 -99.200 -91.000 TYR 128 0.840 -8.096 64.226 10.872 -99.200 -91.000 PHE 147 1.000 -10.866 91.362 24.361 -99.200 -91.000 TYR 148 0.840 -3.773 87.034 23.757 -99.200 -91.000 TYR 175 0.840 -6.435 75.137 24.497 -99.200 -91.000 TYR 190 0.840 3.153 90.833 20.802 -99.200 -91.000 PHE 222 1.000 4.565 81.713 1.827 -99.200 -91.000