Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.048 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.028 CA :: 45.372 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.480 HA2 :: 3.970 HA3 :: 3.970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.776 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.35 A 0.19 C Shift Assignments>> C :: 175.885 CA :: 55.111 CB :: 33.386 CG :: 31.944 CE :: 17.246 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.133 HA :: 4.514 HB2 :: 2.072 HB3 :: 2.004 HG2 :: 2.561 HG3 :: 2.561 HE1 :: 2.107 HE2 :: 2.107 HE3 :: 2.107 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.586 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.997 CA :: 52.572 CB :: 19.525 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.553 HA :: 4.356 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.998 Ave N Shift Values>> N :: 123.23(3.7) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.11 K 0.1 Q 0.03 M 0.01 HN Overlap>> 1.L58 1.L94 1.N78 1.L58 1.L94 1.N78 C Shift Assignments>> CA :: 57.245 CB :: 28.852 CG :: 36.562 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.757 HA :: 4.485 HB2 :: 2.179 HB3 :: 2.052 HG2 :: 2.398 HG3 :: 2.334 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.437 Ave N Shift Values>> N :: 120.68(3.68) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.965 CA :: 65.318 CB :: 31.945 CG :: 27.944 CD :: 50.680 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.435 HB2 :: 2.408 HB3 :: 1.908 HG2 :: 2.127 HG3 :: 2.066 HD2 :: 3.837 HD3 :: 3.837 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 177.001 CA :: 65.735 CB :: 31.733 CG1 :: 21.260 CG2 :: 23.415 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.152 HA :: 4.062 HB :: 2.357 HG11 :: 1.137 HG12 :: 1.137 HG13 :: 1.137 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.744 Ave N Shift Values>> N :: 121.02(4.96) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.12 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 178.944 CA :: 58.762 CB :: 28.458 CG :: 33.990 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.036 HA :: 4.066 HB2 :: 2.189 HB3 :: 2.189 HG2 :: 2.425 HG3 :: 2.425 HE21 :: 7.574 HE22 :: 6.924 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.291 NE2 :: 112.748 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.15 K 0.09 Q 0.04 M 0.02 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 178.143 CA :: 59.002 CB :: 29.366 CG :: 36.071 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.232 HA :: 4.107 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.304 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.520 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.29 I 0.27 K 0.06 Q 0.01 M 0.01 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> C :: 178.215 CA :: 60.070 CB :: 29.254 CG :: 36.344 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.005 HA :: 4.009 HB2 :: 2.395 HB3 :: 2.096 HG2 :: 2.253 HG3 :: 2.190 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.225 Ave N Shift Values>> N :: 120.68(3.68) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.4 R 0.08 C Shift Assignments>> C :: 179.405 CA :: 58.510 CB :: 41.246 CG :: 27.319 CD1 :: 26.021 CD2 :: 23.692 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.415 HA :: 3.800 HB2 :: 1.944 HB3 :: 1.517 HG :: 1.958 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.086 Ave N Shift Values>> N :: 121.98(4.07) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.977 CA :: 61.575 CB :: 62.753 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.793 HA :: 4.032 HB2 :: 3.968 HB3 :: 3.919 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.963 Ave N Shift Values>> N :: 116.3(3.95) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.628 CA :: 66.185 CB :: 31.723 CG1 :: 21.010 CG2 :: 22.811 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.885 HA :: 3.529 HB :: 2.136 HG11 :: 0.779 HG12 :: 0.779 HG13 :: 0.779 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.549 Ave N Shift Values>> N :: 121.02(4.96) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.35 R 0.12 G 0.02 A 0.01 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 177.960 CA :: 57.488 CB :: 42.275 CG :: 26.512 CD1 :: 26.548 CD2 :: 22.303 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.251 HA :: 3.600 HB2 :: 1.295 HB3 :: 0.834 HG :: 1.893 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.563 Ave N Shift Values>> N :: 121.98(4.07) 1.A20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.01 C Shift Assignments>> C :: 178.470 CA :: 54.002 CB :: 17.521 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.013 HA :: 2.552(S) HB1 :: 0.779 HB2 :: 0.779 HB3 :: 0.779 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.875 Ave N Shift Values>> N :: 123.23(3.7) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 179.696 CA :: 53.367 CB :: 18.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.775 HA :: 3.981 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.594 Ave N Shift Values>> N :: 123.23(3.7) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.997 CA :: 63.939 CB :: 39.085 CG1 :: 27.776 CG2 :: 15.960 CD1 :: 12.868 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.461 HA :: 3.511 HB :: 1.182 HG12 :: 1.373 HG13 :: 0.663 HG21 :: -0.134 HG22 :: -0.134 HG23 :: -0.134 HD11 :: 0.160 HD12 :: 0.160 HD13 :: 0.160 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.278 Ave N Shift Values>> N :: 121.6(4.72) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 F 0.45 C Shift Assignments>> C :: 175.375 CA :: 57.885 CB :: 36.844 CD1 :: 132.260 CD2 :: 132.260 CE1 :: 130.491 CE2 :: 130.491 CZ :: 128.654 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.214 HA :: 4.739 HB2 :: 3.359 HB3 :: 2.881 HD1 :: 7.375 HD2 :: 7.375 HE1 :: 7.247 HE2 :: 7.247 HZ :: 7.239 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.052 Ave N Shift Values>> N :: 120.69(4.18) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 176.383 CA :: 57.081 CB :: 28.851 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.017 HA :: 4.767 HB2 :: 3.273 HB3 :: 2.802 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 110.161 Ave N Shift Values>> N :: 119.95(4.79) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.25 L 0.23 K 0.09 G 0.07 C Shift Assignments>> C :: 174.756 CA :: 55.656 CB :: 27.469 CG :: 28.113 CD :: 43.200 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.737 HA :: 4.623 HB2 :: 1.984 HB3 :: 1.665 HG2 :: 1.857 HG3 :: 1.787 HD2 :: 3.325 HD3 :: 3.246 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.591 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.208 CA :: 65.209 CB :: 31.489 CG :: 27.963 CD :: 50.308 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.217 HB2 :: 2.095 HB3 :: 1.772 HG2 :: 2.175 HG3 :: 2.029 HD2 :: 3.902 HD3 :: 3.645 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.34 C 0.29 C Shift Assignments>> C :: 175.557 CA :: 57.749 CB :: 28.045 CD2 :: 120.440 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.766 HA :: 4.359 HB2 :: 3.441 HB3 :: 3.276 HD2 :: 6.931 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.497 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.22 E 0.15 M 0.02 C Shift Assignments>> C :: 175.048 CA :: 59.781 CB :: 31.880 CG :: 38.388 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.030 HA :: 4.496 HB2 :: 2.426 HB3 :: 2.318 HG2 :: 2.573 HG3 :: 2.383 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.290 Ave N Shift Values>> N :: 120.68(3.68) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.42 C Shift Assignments>> C :: 175.703 CA :: 56.118 CB :: 33.501 CD1 :: 125.814 CE3 :: 119.128 CZ2 :: 113.185 CZ3 :: 122.472 CH2 :: 123.968 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.778 HA :: 5.478 HB2 :: 3.713 HB3 :: 3.238 HD1 :: 7.087 HE1 :: 9.561 HE3 :: 7.360 HZ2 :: 6.798 HZ3 :: 6.361 HH2 :: 5.763 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.977 NE1 :: 127.765 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.25 E 0.14 Q 0.01 C Shift Assignments>> C :: 174.076 CA :: 55.904 CB :: 33.689 CG :: 35.794 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.684 HA :: 4.064 HB2 :: 1.881 HB3 :: 1.712 HG2 :: 2.152 HG3 :: 1.878 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.490 Ave N Shift Values>> N :: 120.68(3.68) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 175.910 CA :: 63.273 CB :: 31.465 CG1 :: 21.612 CG2 :: 21.390 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.775 HA :: 3.812 HB :: 1.946 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.844 Ave N Shift Values>> N :: 121.02(4.96) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 R 0.11 A 0.03 G 0.01 C Shift Assignments>> C :: 177.451 CA :: 56.202 CB :: 41.979 CG :: 27.667 CD1 :: 25.023 CD2 :: 22.432 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.147 HA :: 4.286 HB2 :: 1.434 HB3 :: 1.345 HG :: 1.411 HD11 :: 0.669 HD12 :: 0.669 HD13 :: 0.669 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.003 Ave N Shift Values>> N :: 121.98(4.07) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.378 CA :: 58.242 CB :: 64.131 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.897 HA :: 4.496 HB2 :: 3.717 HB3 :: 3.717 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.964 Ave N Shift Values>> N :: 116.3(3.95) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.33 G 0.13 K 0.1 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 174.684 CA :: 56.093 CB :: 32.906 CG :: 27.195 CD :: 43.788 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.434 HA :: 4.789 HB2 :: 1.772 HB3 :: 1.639 HG2 :: 1.621 HG3 :: 1.543 HD2 :: 3.148 HD3 :: 3.148 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.424 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C87 1.L72 1.C87 1.L72 C Shift Assignments>> C :: 175.873 CA :: 56.256 CB :: 64.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.166 HA :: 4.831 HB2 :: 4.138 HB3 :: 3.783 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.534 Ave N Shift Values>> N :: 116.3(3.95) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.36 C 0.34 I 0.15 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.334 CA :: 58.615 CB :: 29.828 CG :: 36.539 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.192 HB2 :: 2.155 HB3 :: 2.093 HG2 :: 2.398 HG3 :: 2.337 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.213 CA :: 62.639 CB :: 69.380 CG2 :: 22.015 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.868 HA :: 4.438 HB :: 4.129 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.107 Ave N Shift Values>> N :: 115.7(5.05) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.17 K 0.16 R 0.14 C 0.1 F 0.06 Y 0.04 N 0.02 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 176.107 CA :: 54.761 CB :: 42.277 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.178 HA :: 4.940 HB2 :: 2.777 HB3 :: 2.380 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.828 Ave N Shift Values>> N :: 120.73(4.2) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.023 CA :: 44.683 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.722 HA2 :: 4.925 HA3 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.643 Ave N Shift Values>> N :: 109.91(4.29) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.F51 1.F51 C Shift Assignments>> C :: 172.523 CA :: 62.612 CB :: 71.945 CG2 :: 21.780 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.239 HA :: 5.122 HB :: 3.901 HG21 :: 1.440 HG22 :: 1.440 HG23 :: 1.440 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 115.7(5.05) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.655 CA :: 60.336 CB :: 33.492 CG1 :: 21.475 CG2 :: 21.133 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.885 HA :: 5.382 HB :: 1.847 HG11 :: 0.629 HG12 :: 0.629 HG13 :: 0.629 HG21 :: 0.560 HG22 :: 0.560 HG23 :: 0.560 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.516 Ave N Shift Values>> N :: 121.02(4.96) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.41 G 0.03 C Shift Assignments>> C :: 170.557 CA :: 55.343 CB :: 42.341 CD1 :: 132.951 CD2 :: 132.951 CE1 :: 130.185 CE2 :: 130.185 CZ :: 128.908 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.733 HA :: 5.098 HB2 :: 2.535 HB3 :: 2.317 HD1 :: 6.708 HD2 :: 6.708 HE1 :: 7.018 HE2 :: 7.018 HZ :: 6.800 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.328 Ave N Shift Values>> N :: 120.69(4.18) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.28 R 0.07 K 0.06 C Shift Assignments>> C :: 174.259 CA :: 53.552 CB :: 35.121 CG :: 26.539 CD :: 43.701 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.032 HA :: 5.514 HB2 :: 1.604 HB3 :: 1.418 HG2 :: 1.331 HG3 :: 1.192 HD2 :: 3.056 HD3 :: 2.912 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.695 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 G 0.17 I 0.1 C Shift Assignments>> C :: 175.533 CA :: 59.324 CB :: 43.287 CG1 :: 28.632 CG2 :: 15.718 CD1 :: 16.475 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.195 HA :: 5.169 HB :: 1.539 HG12 :: 1.159 HG13 :: 1.919 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.348 HD12 :: 0.348 HD13 :: 0.348 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.867 Ave N Shift Values>> N :: 121.6(4.72) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.31 C 0.31 HN Overlap>> 1.F62 1.F62 C Shift Assignments>> C :: 174.501 CA :: 55.176 CB :: 31.382 CD2 :: 120.115 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.676 HA :: 5.429 HB2 :: 3.288 HB3 :: 3.201 HD2 :: 7.094 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.325 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 T 0.28 A 0.2 S 0.02 C Shift Assignments>> C :: 172.292 CA :: 58.730 CB :: 69.333 CG2 :: 17.629 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.760 HA :: 4.965 HB :: 4.057 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.826 Ave N Shift Values>> N :: 115.7(5.05) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.31 R 0.16 M 0.03 G 0.02 C Shift Assignments>> C :: 174.538 CA :: 54.637 CB :: 35.936 CG :: 24.249 CD :: 29.552 CE :: 42.255 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.880 HA :: 5.324 HB2 :: 1.690 HB3 :: 1.583 HG2 :: 1.341 HG3 :: 1.280 HD2 :: 1.594 HD3 :: 1.538 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 L 0.26 C 0.23 K 0.05 A 0.03 M 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 175.642 CA :: 49.880 CB :: 24.227 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.839 HA :: 4.789 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.874 Ave N Shift Values>> N :: 123.23(3.7) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.04 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> C :: 176.893 CA :: 57.200 CB :: 30.158 CG :: 36.329 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.446 HA :: 4.279 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 2.260 HG3 :: 2.260 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.505 Ave N Shift Values>> N :: 120.68(3.68) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.530 CA :: 44.143 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.583 HA2 :: 4.059 HA3 :: 3.615 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.214 Ave N Shift Values>> N :: 109.91(4.29) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 HN Overlap>> 1.T40 1.T40 C Shift Assignments>> C :: 176.164 CA :: 57.927 CB :: 39.621 CD1 :: 131.745 CD2 :: 131.745 CE1 :: 131.703 CE2 :: 131.703 CZ :: 129.940 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.140 HA :: 4.561 HB2 :: 3.109 HB3 :: 2.977 HD1 :: 7.236 HD2 :: 7.236 HE1 :: 7.314 HE2 :: 7.314 HZ :: 7.234 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.252 Ave N Shift Values>> N :: 120.69(4.18) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.42 A 0.1 C Shift Assignments>> C :: 175.230 CA :: 55.883 CB :: 31.011 CG :: 32.090 CE :: 16.776 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.750 HA :: 4.217 HB2 :: 2.134 HB3 :: 1.921 HG2 :: 2.318 HG3 :: 2.245 HE1 :: 2.047 HE2 :: 2.047 HE3 :: 2.047 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.607 Ave N Shift Values>> N :: 120.1(3.88) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.14 C 0.14 F 0.13 Y 0.12 N 0.11 K 0.06 I 0.01 C Shift Assignments>> C :: 174.889 CA :: 55.185 CB :: 40.321 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.241 HA :: 4.352 HB2 :: 2.790 HB3 :: 2.726 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.932 Ave N Shift Values>> N :: 120.73(4.2) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.14 C 0.04 L 0.02 C Shift Assignments>> C :: 176.516 CA :: 51.669 CB :: 20.350 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.647 HA :: 4.451 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.189 Ave N Shift Values>> N :: 123.23(3.7) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.22 K 0.15 R 0.1 C 0.1 F 0.06 N 0.04 Y 0.04 C Shift Assignments>> C :: 176.018 CA :: 54.156 CB :: 42.038 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.326 HA :: 4.702 HB2 :: 2.439 HB3 :: 2.390 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.173 Ave N Shift Values>> N :: 120.73(4.2) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.45 A 0.03 HN Overlap>> 1.N78 1.N78 C Shift Assignments>> C :: 173.882 CA :: 57.771 CB :: 39.848 CG1 :: 27.093 CG2 :: 16.989 CD1 :: 12.843 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.823 HA :: 4.505 HB :: 1.706 HG12 :: 1.369 HG13 :: 1.108 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.546 Ave N Shift Values>> N :: 121.6(4.72) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.606 CA :: 62.436 CB :: 32.198 CG :: 27.543 CD :: 51.367 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.769 HB2 :: 2.306 HB3 :: 2.115 HG2 :: 2.199 HG3 :: 2.031 HD2 :: 3.940 HD3 :: 3.562 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.35 L 0.19 HN Overlap>> 1.L94 1.N78 1.E10 1.L94 1.N78 1.E10 C Shift Assignments>> C :: 173.922 CA :: 54.349 CB :: 46.819 CG :: 26.223 CD1 :: 26.775 CD2 :: 24.744 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.754 HA :: 4.768 HB2 :: 1.440 HB3 :: 1.225 HG :: 1.624 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.442 Ave N Shift Values>> N :: 121.98(4.07) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.29 M 0.21 K 0.01 I 0.01 C Shift Assignments>> C :: 174.708 CA :: 54.506 CB :: 31.732 CG :: 36.853 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.695 HA :: 4.987 HB2 :: 1.970 HB3 :: 1.845 HG2 :: 1.727 HG3 :: 1.727 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 120.68(3.68) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.25 L 0.18 R 0.12 C Shift Assignments>> C :: 174.684 CA :: 53.552 CB :: 44.481 CG :: 27.598 CD1 :: 27.561 CD2 :: 26.163 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.094 HA :: 4.954 HB2 :: 1.825 HB3 :: 1.156 HG :: 1.515 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.052 Ave N Shift Values>> N :: 121.98(4.07) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.897 CA :: 61.113 CB :: 32.577 CG1 :: 21.242 CG2 :: 20.875 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.588 HA :: 4.626 HB :: 1.725 HG11 :: 0.517 HG12 :: 0.517 HG13 :: 0.517 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.139 Ave N Shift Values>> N :: 121.02(4.96) 1.F62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.56 C 0.35 G 0.07 HN Overlap>> 1.H45 1.H45 C Shift Assignments>> C :: 173.324 CA :: 56.029 CB :: 42.875 CD1 :: 132.229 CD2 :: 132.229 CE1 :: 130.713 CE2 :: 130.713 CZ :: 127.681 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.656 HA :: 4.965 HB2 :: 1.990 HB3 :: 1.430(S) HD1 :: 6.815 HD2 :: 6.815 HE1 :: 7.020 HE2 :: 7.020 HZ :: 6.956 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.424 Ave N Shift Values>> N :: 120.69(4.18) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 H 0.26 W 0.04 C Shift Assignments>> C :: 174.380 CA :: 52.481 CB :: 33.771 CD2 :: 116.582 CE1 :: 137.933 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.912 HA :: 5.270 HB2 :: 2.857 HB3 :: 2.796 HD2 :: 6.515 HE1 :: 7.729 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.975 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.24 L 0.21 C Shift Assignments>> C :: 173.737 CA :: 50.404 CB :: 39.991 CG :: 26.294 CD1 :: 25.446 CD2 :: 21.269 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.636 HA :: 4.563 HB2 :: 1.952 HB3 :: 0.911 HG :: 1.356 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.048 HD22 :: 0.048 HD23 :: 0.048 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.229 Ave N Shift Values>> N :: 121.98(4.07) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> CA :: 61.857 CB :: 32.709 CG :: 27.332 CD :: 51.605 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.445 HB2 :: 2.271 HB3 :: 1.990 HG2 :: 1.767 HG3 :: 1.656 HD2 :: 3.977 HD3 :: 3.344 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 65.930 CB :: 31.400 CG1 :: 20.873 CG2 :: 21.124 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.720 HA :: 3.931 HB :: 2.141 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.371 Ave N Shift Values>> N :: 121.02(4.96) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.23 Y 0.07 D 0.06 E 0.05 F 0.04 M 0.03 C Shift Assignments>> CA :: 52.926 CB :: 37.355 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.250 HA :: 4.844 HB2 :: 2.842 HB3 :: 2.842 HD21 :: 7.552 HD22 :: 6.803 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.149 ND2 :: 112.023 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> CA :: 57.210 CB :: 38.562 CD1 :: 133.160 CD2 :: 134.938 CE1 :: 118.109 CE2 :: 120.172 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.953 HA :: 4.708 HB2 :: 3.240 HB3 :: 2.829 HD1 :: 7.272 HD2 :: 7.031 HE1 :: 6.950 HE2 :: 7.311 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.198 Ave N Shift Values>> N :: 120.79(4.69) 1.P69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.71 P 0.22 G 0.03 A 0.02 C Shift Assignments>> C :: 175.169 CA :: 64.176 CB :: 31.588 CG :: 23.703 CD :: 49.157 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.150 HB2 :: 1.945 HB3 :: 0.382(S) HG2 :: 1.007 HG3 :: 1.242 HD2 :: 3.298 HD3 :: 3.157 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.621 CA :: 60.739 CB :: 62.712 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.876 HA :: 4.347 HB2 :: 3.996 HB3 :: 3.996 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.071 Ave N Shift Values>> N :: 116.3(3.95) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.16 H 0.15 R 0.13 K 0.1 W 0.1 Q 0.08 E 0.07 C Shift Assignments>> C :: 171.127 CA :: 54.337 CB :: 31.324 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.311 HA :: 4.698 HB2 :: 3.128 HB3 :: 2.591 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.986 Ave N Shift Values>> N :: 119.95(4.79) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.22 R 0.04 A 0.01 HN Overlap>> 1.S35 1.S35 C Shift Assignments>> C :: 175.339 CA :: 53.175 CB :: 41.484 CG :: 27.055 CD1 :: 26.118 CD2 :: 24.218 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.137 HA :: 4.277 HB2 :: 1.669 HB3 :: 1.477 HG :: 1.839 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.548 Ave N Shift Values>> N :: 121.98(4.07) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.723 CA :: 62.070 CB :: 32.203 CG :: 25.746 CD :: 50.262 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.837 HB2 :: 2.092 HB3 :: 2.025 HG2 :: 1.946 HG3 :: 2.107 HD2 :: 4.169 HD3 :: 3.609 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.846 CA :: 45.424 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.432 HA2 :: 4.449 HA3 :: 3.701 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.279 Ave N Shift Values>> N :: 109.91(4.29) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.4 G 0.05 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 174.489 CA :: 60.502 CB :: 42.545 CG1 :: 26.797 CG2 :: 16.843 CD1 :: 14.671 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.028 HA :: 4.614 HB :: 1.264 HG12 :: 1.338 HG13 :: 0.605 HG21 :: 0.343 HG22 :: 0.343 HG23 :: 0.343 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.181 Ave N Shift Values>> N :: 121.6(4.72) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.038 CA :: 57.040 CB :: 64.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.481 HA :: 4.651 HB2 :: 3.674 HB3 :: 3.525 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.750 Ave N Shift Values>> N :: 116.3(3.95) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 C Shift Assignments>> C :: 173.749 CA :: 58.495 CB :: 39.779 CG1 :: 27.055 CG2 :: 17.154 CD1 :: 12.883 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.445 HA :: 4.935 HB :: 1.740 HG12 :: 1.290 HG13 :: 1.114 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.204 Ave N Shift Values>> N :: 121.6(4.72) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.12 R 0.1 K 0.07 N 0.07 G 0.04 F 0.03 Y 0.02 HN Overlap>> 1.L58 1.L94 1.I56 1.L58 1.L94 1.I56 1.E10 1.E10 C Shift Assignments>> C :: 173.775 CA :: 52.032 CB :: 42.526 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.764 HA :: 5.221 HB2 :: 2.630 HB3 :: 2.630 HD21 :: 7.689 HD22 :: 6.823 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.472 ND2 :: 114.206 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.109 CA :: 58.386 CB :: 65.218 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.064 HA :: 4.469 HB2 :: 4.290 HB3 :: 3.123 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.957 Ave N Shift Values>> N :: 116.3(3.95) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.13 K 0.07 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.893 CA :: 58.188 CB :: 29.742 CG :: 36.514 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.321 HA :: 4.325 HB2 :: 2.146 HB3 :: 2.016 HG2 :: 2.371 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.466 Ave N Shift Values>> N :: 120.68(3.68) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 E 0.18 M 0.17 K 0.14 R 0.01 C Shift Assignments>> C :: 174.356 CA :: 55.537 CB :: 30.407 CG :: 34.525 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.050 HA :: 4.454 HB2 :: 2.472 HB3 :: 1.651 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.607 HE22 :: 6.811 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.590 NE2 :: 111.279 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.28 C 0.19 A 0.01 C Shift Assignments>> C :: 177.196 CA :: 53.111 CB :: 46.006 CG :: 26.970 CD1 :: 25.512 CD2 :: 24.104 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.989 HA :: 4.990 HB2 :: 1.695 HB3 :: 1.532 HG :: 1.587 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.745 Ave N Shift Values>> N :: 121.98(4.07) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 176.213 CA :: 60.566 CB :: 70.928 CG2 :: 21.763 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.989 HA :: 4.489 HB :: 4.777 HG21 :: 1.302 HG22 :: 1.302 HG23 :: 1.302 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.275 Ave N Shift Values>> N :: 115.7(5.05) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.33 K 0.2 L 0.04 G 0.04 C Shift Assignments>> C :: 178.956 CA :: 59.751 CB :: 29.149 CG :: 26.443 CD :: 42.870 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.021 HA :: 4.086 HB2 :: 2.007 HB3 :: 1.916 HG2 :: 1.787 HG3 :: 1.787 HD2 :: 3.285 HD3 :: 3.285 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.416 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 181.189 CA :: 55.225 CB :: 18.282 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.437 HA :: 4.101 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.977 Ave N Shift Values>> N :: 123.23(3.7) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.26 K 0.16 Q 0.14 I 0.08 M 0.02 R 0.01 C Shift Assignments>> C :: 178.555 CA :: 58.972 CB :: 29.116 CG :: 35.153 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.878 HA :: 4.101 HB2 :: 2.610 HB3 :: 1.736 HG2 :: 2.611 HG3 :: 2.438 HE21 :: 7.885 HE22 :: 6.811 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.063 NE2 :: 111.273 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.42 C 0.04 HN Overlap>> 1.S35 1.S35 C Shift Assignments>> C :: 177.463 CA :: 65.232 CB :: 27.098 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.256 HA :: 3.832 HB2 :: 3.377 HB3 :: 2.778 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.532 Ave N Shift Values>> N :: 119.95(4.79) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.657 CA :: 67.284 CB :: 31.382 CG1 :: 22.861 CG2 :: 21.515 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.035 HA :: 3.612 HB :: 2.271 HG11 :: 1.085 HG12 :: 1.085 HG13 :: 1.085 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 121.02(4.96) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.383 CA :: 67.120 CB :: 68.663 CG2 :: 22.062 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.999 HA :: 3.981 HB :: 4.253 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.506 Ave N Shift Values>> N :: 115.7(5.05) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 176.710 CA :: 67.615 CB :: 31.294 CG1 :: 22.491 CG2 :: 23.707 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.399 HA :: 3.452 HB :: 2.143 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.526 Ave N Shift Values>> N :: 121.02(4.96) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.31 R 0.19 G 0.03 M 0.02 C Shift Assignments>> C :: 177.536 CA :: 60.829 CB :: 31.959 CG :: 24.743 CD :: 30.162 CE :: 42.547 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.969 HA :: 3.637 HB2 :: 2.171 HB3 :: 1.858 HG2 :: 1.406 HG3 :: 1.244 HD2 :: 1.817 HD3 :: 1.736 HE2 :: 3.120 HE3 :: 3.056 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 180.545 CA :: 59.821 CB :: 29.445 CG :: 36.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.443 HA :: 3.930 HB2 :: 2.320 HB3 :: 2.083 HG2 :: 2.572 HG3 :: 2.236 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.576 Ave N Shift Values>> N :: 120.68(3.68) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.32 K 0.32 G 0.01 C Shift Assignments>> C :: 179.854 CA :: 57.639 CB :: 31.547 CG :: 24.931 CD :: 27.710 CE :: 42.298 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.376 HA :: 4.202 HB2 :: 2.237 HB3 :: 2.096 HG2 :: 1.906 HG3 :: 1.595 HD2 :: 1.820 HD3 :: 1.740 HE2 :: 3.080 HE3 :: 2.955 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.385 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.3 R 0.24 G 0.07 HN Overlap>> 1.L58 1.L58 1.N78 1.E10 1.N78 1.E10 C Shift Assignments>> C :: 178.968 CA :: 57.963 CB :: 43.051 CG :: 27.113 CD1 :: 26.932 CD2 :: 26.393 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.709 HA :: 3.793 HB2 :: 1.987 HB3 :: 1.550 HG :: 1.787 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.382 Ave N Shift Values>> N :: 121.98(4.07) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.37 R 0.12 K 0.01 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 179.477 CA :: 57.730 CB :: 41.474 CG :: 27.504 CD1 :: 26.200 CD2 :: 23.176 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.444 HA :: 4.026 HB2 :: 1.936 HB3 :: 1.484 HG :: 1.765 HD11 :: 0.958 HD12 :: 0.958 HD13 :: 0.958 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.574 Ave N Shift Values>> N :: 121.98(4.07) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.17 K 0.06 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.672 CA :: 59.275 CB :: 29.775 CG :: 36.262 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.609 HA :: 4.058 HB2 :: 2.137 HB3 :: 2.092 HG2 :: 2.426 HG3 :: 2.113 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.784 Ave N Shift Values>> N :: 120.68(3.68) 1.Q97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.17 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.725 CA :: 57.379 CB :: 26.522 CG :: 30.675 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.321 HA :: 3.752 HB2 :: 1.397 HB3 :: 1.314 HG2 :: 1.070(S) HG3 :: 0.585(S) HE21 :: 7.067 HE22 :: 6.559 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.897 NE2 :: 111.531 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.45 C 0.03 I 0.01 V 0.01 C Shift Assignments>> C :: 178.191 CA :: 54.799 CB :: 18.968 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.461 HA :: 3.974 HB1 :: 1.600 HB2 :: 1.600 HB3 :: 1.600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.340 Ave N Shift Values>> N :: 123.23(3.7) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.737 CA :: 59.605 CB :: 29.628 CG :: 36.440 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.506 HA :: 3.858 HB2 :: 2.131 HB3 :: 2.096 HG2 :: 2.504 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.907 Ave N Shift Values>> N :: 120.68(3.68) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.331 CA :: 60.329 CB :: 63.698 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.371 HA :: 4.369 HB2 :: 3.965 HB3 :: 3.965 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.401 Ave N Shift Values>> N :: 116.3(3.95) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.22 A 0.1 G 0.07 R 0.06 C Shift Assignments>> C :: 175.375 CA :: 54.120 CB :: 43.011 CG :: 26.271 CD1 :: 26.290 CD2 :: 22.382 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.570 HA :: 4.439 HB2 :: 1.925 HB3 :: 1.870 HG :: 1.597 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.359 Ave N Shift Values>> N :: 121.98(4.07) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 R 0.12 G 0.05 C Shift Assignments>> C :: 177.742 CA :: 57.276 CB :: 42.957 CG :: 26.982 CD1 :: 25.414 CD2 :: 23.802 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.724 HA :: 3.833 HB2 :: 1.697 HB3 :: 1.481 HG :: 1.828 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.694 HD22 :: 0.694 HD23 :: 0.694 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.734 Ave N Shift Values>> N :: 121.98(4.07) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.139 CB :: 62.416 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.188 HA :: 3.551 HB2 :: 4.215 HB3 :: 3.957 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.929 Ave N Shift Values>> N :: 116.3(3.95) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.29 E 0.21 Q 0.07 K 0.03 C Shift Assignments>> CA :: 53.503 CB :: 31.341 CG :: 35.564 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.095 HA :: 4.764 HB2 :: 2.000 HB3 :: 1.867 HG2 :: 2.154 HG3 :: 2.154 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.718 Ave N Shift Values>> N :: 120.68(3.68) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.567 CA :: 64.043 CB :: 31.044 CG :: 28.263 CD :: 49.998 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.268 HB2 :: 2.302 HB3 :: 1.944 HG2 :: 2.217 HG3 :: 1.844 HD2 :: 3.710 HD3 :: 3.710 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.19 I 0.14 A 0.09 C Shift Assignments>> C :: 176.419 CA :: 56.626 CB :: 37.600 CG :: 31.086 CE :: 16.998 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.372 HA :: 4.976 HB2 :: 2.219 HB3 :: 2.219 HG2 :: 3.059 HG3 :: 2.427 HE1 :: 2.176 HE2 :: 2.176 HE3 :: 2.176 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.028 Ave N Shift Values>> N :: 120.1(3.88) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C 0.01 C Shift Assignments>> C :: 177.511 CA :: 69.022 CB :: 30.352 CG1 :: 21.391 CG2 :: 22.465 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.205 HA :: 3.192 HB :: 2.107 HG11 :: 0.316 HG12 :: 0.316 HG13 :: 0.316 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.008 Ave N Shift Values>> N :: 121.02(4.96) 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 H 0.32 W 0.32 C Shift Assignments>> C :: 177.087 CA :: 59.645 CB :: 30.470 CD2 :: 118.336 CE1 :: 138.038 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.617 HA :: 4.234 HB2 :: 3.107 HB3 :: 3.107 HD2 :: 6.862 HE1 :: 7.724 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.543 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.27 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.011 CA :: 59.897 CB :: 28.934 CG :: 36.329 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.296 HA :: 3.856 HB2 :: 2.107 HB3 :: 2.004 HG2 :: 2.393 HG3 :: 2.355 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.430 Ave N Shift Values>> N :: 120.68(3.68) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.44 R 0.08 A 0.01 C Shift Assignments>> C :: 178.761 CA :: 58.138 CB :: 41.753 CG :: 26.010 CD1 :: 26.570 CD2 :: 22.121 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.343 HA :: 4.213 HB2 :: 2.382 HB3 :: 1.457 HG :: 2.122 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 121.98(4.07) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.058 CA :: 67.270 CB :: 31.505 CG1 :: 21.907 CG2 :: 23.618 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.570 HA :: 3.679 HB :: 2.479 HG11 :: 1.134 HG12 :: 1.134 HG13 :: 1.134 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.269 Ave N Shift Values>> N :: 121.02(4.96) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 C Shift Assignments>> C :: 180.011 CA :: 57.989 CB :: 41.725 CG :: 26.767 CD1 :: 24.965 CD2 :: 22.680 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.643 HA :: 4.181 HB2 :: 1.775 HB3 :: 1.391 HG :: 1.468 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.908 Ave N Shift Values>> N :: 121.98(4.07) 1.W113 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.35 C Shift Assignments>> C :: 180.982(A) CA :: 63.273 CB :: 28.581 CD1 :: 127.835 CE3 :: 119.419 CZ2 :: 115.066 CZ3 :: 120.030 CH2 :: 124.116 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.520 HA :: 4.063 HB2 :: 3.592 HB3 :: 3.457 HD1 :: 7.307 HE1 :: 10.252 HE3 :: 7.273 HZ2 :: 7.381 HZ3 :: 6.647 HH2 :: 6.975 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.837 NE1 :: 132.277 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 M 0.01 C Shift Assignments>> C :: 176.540 CA :: 61.323 CB :: 37.937 CG1 :: 30.158 CG2 :: 19.223 CD1 :: 15.685 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.914 HA :: 4.068 HB :: 2.238 HG12 :: 1.514 HG13 :: 1.314 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.178 Ave N Shift Values>> N :: 121.6(4.72) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.2 Q 0.19 E 0.1 I 0.06 R 0.06 P 0.02 M 0.01 C Shift Assignments>> C :: 179.344 CA :: 59.794 CB :: 28.127 CG :: 34.069 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.439 HA :: 3.962 HB2 :: 2.635 HB3 :: 2.121 HG2 :: 2.938 HG3 :: 2.629 HE21 :: 7.148 HE22 :: 6.673 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.863 NE2 :: 109.014 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.19 E 0.15 M 0.12 R 0.02 C Shift Assignments>> C :: 177.305 CA :: 56.998 CB :: 30.023 CG :: 34.025 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.548 HA :: 4.254 HB2 :: 2.001 HB3 :: 1.898 HG2 :: 2.511 HG3 :: 2.380 HE21 :: 7.491 HE22 :: 6.893 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.572 NE2 :: 112.159 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 N 0.2 C 0.15 Y 0.13 F 0.12 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.776 CA :: 54.687 CB :: 39.703 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.791 HA :: 4.692 HB2 :: 1.865 HB3 :: 0.871(S) HD21 :: 6.882 HD22 :: 6.164 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.739 ND2 :: 116.118 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.21 R 0.02 K 0.01 C Shift Assignments>> C :: 177.718 CA :: 59.955 CB :: 40.219 CG :: 26.653 CD1 :: 27.303 CD2 :: 25.625 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.234 HA :: 3.787 HB2 :: 1.912 HB3 :: 1.663 HG :: 1.485 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.267 Ave N Shift Values>> N :: 121.98(4.07) 1.R119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 L 0.22 K 0.21 R 0.19 G 0.07 C Shift Assignments>> C :: 176.820 CA :: 58.514 CB :: 28.169 CG :: 25.356 CD :: 43.381 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.616 HA :: 3.741 HB2 :: 1.480 HB3 :: 1.441 HG2 :: 1.058 HG3 :: 0.592(S) HD2 :: 2.747 HD3 :: 2.663 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.981 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.31 C Shift Assignments>> C :: 178.361 CA :: 57.664 CB :: 30.723 CD2 :: 119.584 CE1 :: 137.392 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.132 HA :: 4.608 HB2 :: 3.184 HB3 :: 3.125 HD2 :: 7.137 HE1 :: 7.927 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.652 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.972 CA :: 64.103 CB :: 38.885 CG1 :: 27.880 CG2 :: 17.720 CD1 :: 14.991 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.884 HA :: 3.939 HB :: 1.969 HG12 :: 1.752 HG13 :: 1.239 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.164 Ave N Shift Values>> N :: 121.6(4.72) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.3 A 0.15 R 0.07 C Shift Assignments>> C :: 177.026 CA :: 55.169 CB :: 41.804 CG :: 26.404 CD1 :: 26.481 CD2 :: 21.567 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.727 HA :: 4.356 HB2 :: 1.695 HB3 :: 1.582 HG :: 1.780 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.467 Ave N Shift Values>> N :: 121.98(4.07) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.882 CA :: 58.630 CB :: 63.934 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.514 HA :: 4.358 HB2 :: 3.938 HB3 :: 3.938 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.509 Ave N Shift Values>> N :: 116.3(3.95) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.07 M 0.06 E 0.05 C Shift Assignments>> C :: 173.955 CA :: 53.859 CB :: 28.704 CG :: 33.512 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.809 HA :: 4.541 HB2 :: 2.108 HB3 :: 1.966 HG2 :: 2.409 HG3 :: 2.409 HE21 :: 7.480 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.516 NE2 :: 112.565 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.087 CA :: 63.235 CB :: 32.165 CG :: 27.389 CD :: 50.616 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.439 HB2 :: 2.309 HB3 :: 1.921 HG2 :: 2.009 HG3 :: 2.009 HD2 :: 3.775 HD3 :: 3.636 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.953 CA :: 56.877 CB :: 30.146 CG :: 36.447 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.674 HA :: 4.326 HB2 :: 2.083 HB3 :: 1.971 HG2 :: 2.296 HG3 :: 2.296 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 120.68(3.68) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.307 CA :: 61.717 CB :: 69.994 CG2 :: 21.474 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.163 HA :: 4.357 HB :: 4.293 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.202 Ave N Shift Values>> N :: 115.7(5.05) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.053 CA :: 46.209 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.044 HA2 :: 3.768 HA3 :: 3.768 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.308 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 554 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 890 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A20 HA = 2.552(S), Expected = 4.26, Std = 0.4200, ChiSquare = 4.7690e-05 1.F62 HB3 = 1.430(S), Expected = 2.97, Std = 0.3800, ChiSquare = 5.0645e-05 1.P69 HB3 = 0.382(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.8949e-05 1.Q97 HG2 = 1.070(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.6300e-05 1.Q97 HG3 = 0.585(S), Expected = 2.32, Std = 0.2900, ChiSquare = 2.1939e-09 1.W113 C = 180.982(A), Expected = 176.10, Std = 1.8900, ChiSquare = 9.7926e-03 1.N117 HB3 = 0.871(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.9690e-08 1.R119 HG3 = 0.592(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.5295e-04