============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 4 1.000 27.169 -4.602 -7.654 -99.200 -91.000 TYR 5 0.840 27.258 -10.675 -8.541 -99.200 -91.000 HIS 12 0.900 21.327 -11.441 3.476 -99.200 -91.000 TYR 25 0.840 32.076 1.711 3.910 -99.200 -91.000 TRP 26 1.040 29.618 -3.190 4.167 -99.200 -91.000 TRP6 26 1.020 31.708 -3.141 3.059 -99.200 -91.000 TYR 27 0.840 21.510 2.282 -0.396 -99.200 -91.000 TYR 39 0.840 21.352 -6.738 -7.736 -99.200 -91.000 TRP 67 1.040 9.950 -0.942 -6.473 -99.200 -91.000 TRP6 67 1.020 10.878 -3.101 -6.683 -99.200 -91.000 PHE 70 1.000 14.179 3.704 -8.355 -99.200 -91.000 TYR 76 0.840 20.074 11.479 -7.903 -99.200 -91.000 TYR 88 0.840 10.793 -0.743 9.914 -99.200 -91.000 TYR 99 0.840 14.637 -18.499 3.990 -99.200 -91.000 PHE 102 1.000 7.342 -21.877 1.130 -99.200 -91.000 TYR 115 0.840 1.927 -39.164 3.651 -99.200 -91.000 HIS 120 0.900 -11.014 -33.904 8.766 -99.200 -91.000 TYR 133 0.840 -7.276 -28.169 11.034 -99.200 -91.000 PHE 134 1.000 0.832 -31.187 9.642 -99.200 -91.000 TYR 143 0.840 5.997 -28.551 8.205 -99.200 -91.000 TYR 144 0.840 5.654 -19.410 12.896 -99.200 -91.000 PHE 145 1.000 9.806 -25.667 15.812 -99.200 -91.000