Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.400 CA :: 63.860 CB :: 38.260 CG1 :: 29.844 CG2 :: 18.400 CD1 :: 13.900 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>> HA :: 3.897 HB :: 1.795 HG12 :: 1.133 HG13 :: 1.426 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 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) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 175.010 CA :: 62.290 CB :: 67.900 CG2 :: 22.533 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 :: 7.293 HA :: 4.990 HB :: 4.620 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 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 :: 108.950 Ave N Shift Values>> N :: 115.7(5.05) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 D 0.18 K 0.17 F 0.12 C 0.11 Y 0.1 R 0.04 N 0.04 I 0.01 C Shift Assignments>> C :: 176.010 CA :: 55.760 CB :: 41.190 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 :: 7.749 HA :: 4.690 HB2 :: 2.780 HB3 :: 2.850 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 :: 118.685 Ave N Shift Values>> N :: 120.73(4.2) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.21 C Shift Assignments>> C :: 174.200 CA :: 62.550 CB :: 41.380 CG1 :: 28.200 CG2 :: 17.850 CD1 :: 14.460 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 :: 7.456 HA :: 4.076 HB :: 1.668 HG12 :: 1.098 HG13 :: 1.520 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 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 :: 118.090 Ave N Shift Values>> N :: 121.6(4.72) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 A 0.22 G 0.2 C 0.19 R 0.07 C Shift Assignments>> C :: 175.010 CA :: 51.900 CB :: 43.310 CG :: 26.900 CD1 :: 22.200 CD2 :: 26.300 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 :: 7.917 HA :: 4.730 HB2 :: 1.596 HB3 :: 1.686 HG :: 1.690 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 1.153 HD22 :: 1.153 HD23 :: 1.153 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 :: 117.867 Ave N Shift Values>> N :: 121.98(4.07) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.300 CA :: 56.900 CB :: 63.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.669 HA :: 4.560 HB2 :: 3.931 HB3 :: 4.095 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 :: 114.669 Ave N Shift Values>> N :: 116.3(3.95) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 I 0.13 C 0.08 V 0.02 C Shift Assignments>> C :: 180.200 CA :: 55.580 CB :: 18.190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.168 HA :: 4.051 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.537 Ave N Shift Values>> N :: 123.23(3.7) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.23 G 0.01 C Shift Assignments>> C :: 178.700 CA :: 58.800 CB :: 32.040 CG :: 24.420 CD :: 28.900 CE :: 42.158 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 :: 8.278 HA :: 4.118 HB2 :: 1.740 HB3 :: 1.801 HG2 :: 1.420 HG3 :: 1.470 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.930 HE3 :: 2.930 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 :: 117.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.23 C 0.19 D 0.1 L 0.06 I 0.06 N 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 178.500 CA :: 56.990 CB :: 39.500 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 :: 7.239 HA :: 4.395 HB2 :: 3.020 HB3 :: 2.810 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 :: 121.518 Ave N Shift Values>> N :: 120.73(4.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.100 CA :: 66.300 CB :: 38.240 CG1 :: 30.060 CG2 :: 18.200 CD1 :: 14.410 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 :: 8.257 HA :: 3.465 HB :: 1.987 HG12 :: 1.710 HG13 :: 0.810 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 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 :: 121.045 Ave N Shift Values>> N :: 121.6(4.72) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.08 Q 0.03 C Shift Assignments>> C :: 179.900 CA :: 59.810 CB :: 29.200 CG :: 36.090 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 :: 8.111 HA :: 3.947 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.234 HG3 :: 2.368 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 :: 119.151 Ave N Shift Values>> N :: 120.68(3.68) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.010 CA :: 61.400 CB :: 62.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.052 HA :: 4.179 HB2 :: 3.967 HB3 :: 3.813 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 :: 115.424 Ave N Shift Values>> N :: 116.3(3.95) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 I 0.07 C 0.06 V 0.01 C Shift Assignments>> C :: 180.900 CA :: 55.080 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.488 HA :: 3.766 HB1 :: 0.756 HB2 :: 0.756 HB3 :: 0.756 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.024 Ave N Shift Values>> N :: 123.23(3.7) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.37 R 0.14 K 0.06 C Shift Assignments>> C :: 180.700 CA :: 57.460 CB :: 41.280 CG :: 27.300 CD1 :: 27.550 CD2 :: 24.350 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 :: 8.695 HA :: 4.236 HB2 :: 1.989 HB3 :: 1.519 HG :: 1.920 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 1.015 HD22 :: 1.015 HD23 :: 1.015 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 :: 118.322 Ave N Shift Values>> N :: 121.98(4.07) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.400 CA :: 61.550 CB :: 62.580 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.341 HA :: 4.277 HB2 :: 4.036 HB3 :: 4.036 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 :: 115.956 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 174.900 CA :: 60.520 CB :: 63.810 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.593 HA :: 4.463 HB2 :: 4.001 HB3 :: 4.001 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 :: 113.991 Ave N Shift Values>> N :: 116.3(3.95) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 L 0.19 Q 0.18 K 0.16 C 0.14 E 0.08 I 0.02 C Shift Assignments>> C :: 174.700 CA :: 55.430 CB :: 27.780 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.506 HA :: 5.740 HB2 :: 3.128 HB3 :: 2.944 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 :: 114.491 Ave N Shift Values>> N :: 119.95(4.79) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.15 R 0.04 I 0.03 C Shift Assignments>> C :: 176.400 CA :: 59.200 CB :: 29.270 CG :: 33.970 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 :: 7.339 HA :: 4.125 HB2 :: 2.187 HB3 :: 2.187 HG2 :: 2.470 HG3 :: 2.570 HE21 :: 6.910 HE22 :: 7.590 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 :: 122.591 NE2 :: 111.600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 178.500 CA :: 51.810 CB :: 19.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.163 HA :: 4.290 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.740 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 0.91 C 0.04 I 0.03 C Shift Assignments>> C :: 177.600 CA :: 54.150 CB :: 17.920 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.906 HA :: 3.840 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.296 Ave N Shift Values>> N :: 123.23(3.7) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 C 0.22 F 0.22 I 0.16 E 0.07 D 0.01 L 0.01 C Shift Assignments>> C :: 175.200 CA :: 58.550 CB :: 38.420 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 :: 7.072 HA :: 4.517 HB2 :: 2.920 HB3 :: 2.920 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 :: 113.934 Ave N Shift Values>> N :: 120.73(4.2) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.800 CA :: 58.950 CB :: 65.270 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.694 HA :: 4.530 HB2 :: 4.133 HB3 :: 3.591 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 :: 111.400 Ave N Shift Values>> N :: 116.3(3.95) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 I 0.21 C 0.17 K 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.200 CA :: 59.940 CB :: 40.150 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 :: 9.302 HA :: 4.169 HB2 :: 2.876 HB3 :: 2.876 HD1 :: 7.198 HD2 :: 7.198 HE1 :: 6.171 HE2 :: 6.171 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 :: 125.587 Ave N Shift Values>> N :: 120.69(4.18) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 C 0.12 L 0.11 F 0.04 Y 0.03 K 0.03 C Shift Assignments>> C :: 175.010 CA :: 51.600 CB :: 40.720 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 :: 7.483 HA :: 4.463 HB2 :: 2.447 HB3 :: 2.508 HD21 :: 6.742 HD22 :: 7.615 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 :: 126.414 ND2 :: 113.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 I 0.19 E 0.18 Y 0.11 V 0.08 F 0.05 K 0.03 Q 0.01 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 174.400 CA :: 60.400 CB :: 35.980 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 :: 8.321 HA :: 2.926 HB2 :: 1.954 HB3 :: 1.747 HD1 :: 6.777 HD2 :: 6.777 HE1 :: 6.753 HE2 :: 6.753 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 :: 124.423 Ave N Shift Values>> N :: 120.79(4.69) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.22 C Shift Assignments>> C :: 179.800 CA :: 59.080 CB :: 31.750 CG :: 24.950 CD :: 29.181 CE :: 42.050 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 :: 6.140 HA :: 3.702 HB2 :: 1.460 HB3 :: 1.160 HG2 :: 0.969 HG3 :: 1.066 HD2 :: 1.528 HD3 :: 1.528 HE2 :: 2.910 HE3 :: 2.910 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 :: 122.083 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.800 CA :: 60.300 CB :: 62.490 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.313 HA :: 4.145 HB2 :: 3.765 HB3 :: 3.765 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 :: 114.583 Ave N Shift Values>> N :: 116.3(3.95) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.22 Y 0.18 C 0.16 C Shift Assignments>> C :: 177.400 CA :: 61.570 CB :: 39.780 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 :: 8.138 HA :: 3.567 HB2 :: 2.705 HB3 :: 2.557 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.563 HE2 :: 6.563 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 :: 123.437 Ave N Shift Values>> N :: 120.69(4.18) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.21 I 0.18 E 0.16 F 0.13 K 0.01 C Shift Assignments>> C :: 178.600 CA :: 59.170 CB :: 37.310 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 :: 8.921 HA :: 4.567 HB2 :: 3.467 HB3 :: 3.287 HD1 :: 7.509 HD2 :: 7.509 HE1 :: 7.346 HE2 :: 7.346 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 :: 116.125 Ave N Shift Values>> N :: 120.69(4.18) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S73 1.S73 C Shift Assignments>> C :: 178.010 CA :: 60.600 CB :: 62.890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.785 HA :: 4.468 HB2 :: 3.998 HB3 :: 3.998 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 :: 113.661 Ave N Shift Values>> N :: 116.3(3.95) 1.T32 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 :: 178.800 CA :: 66.630 CB :: 68.250 CG2 :: 21.410 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 :: 8.595 HA :: 3.799 HB :: 3.803 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 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 :: 120.336 Ave N Shift Values>> N :: 115.7(5.05) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> C :: 174.600 CA :: 62.220 CB :: 31.800 CG1 :: 24.100 CG2 :: 21.620 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 :: 8.390 HA :: 3.786 HB :: 1.443 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 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 :: 115.700 Ave N Shift Values>> N :: 121.02(4.96) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 175.700 CA :: 45.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.264 HA2 :: 4.225 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.007 Ave N Shift Values>> N :: 109.91(4.29) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.29 R 0.17 G 0.06 C Shift Assignments>> C :: 177.010 CA :: 56.920 CB :: 43.130 CG :: 27.190 CD1 :: 26.080 CD2 :: 24.900 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 :: 4.108 HB2 :: 1.704 HB3 :: 1.540 HG :: 1.788 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 1.060 HD22 :: 1.060 HD23 :: 1.060 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 :: 120.477 Ave N Shift Values>> N :: 121.98(4.07) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.300 CA :: 60.880 CB :: 63.080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.751 HA :: 4.027 HB2 :: 3.927 HB3 :: 3.927 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 :: 109.974 Ave N Shift Values>> N :: 116.3(3.95) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.800 CA :: 57.390 CB :: 63.760 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.273 HA :: 4.621 HB2 :: 4.057 HB3 :: 3.838 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 :: 112.837 Ave N Shift Values>> N :: 116.3(3.95) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.3 K 0.26 G 0.03 C Shift Assignments>> C :: 175.700 CA :: 53.550 CB :: 31.480 CG :: 24.780 CD :: 26.970 CE :: 42.540 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 :: 7.267 HA :: 4.607 HB2 :: 2.168 HB3 :: 2.022 HG2 :: 1.170 HG3 :: 1.996 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.870 HE3 :: 3.090 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 :: 120.732 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.15 S 0.01 C Shift Assignments>> C :: 174.200 CA :: 60.300 CB :: 68.300 CG2 :: 22.010 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 :: 8.539 HA :: 4.609 HB :: 4.740 HG21 :: 1.364 HG22 :: 1.364 HG23 :: 1.364 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 :: 110.259 Ave N Shift Values>> N :: 115.7(5.05) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.600 CA :: 66.240 CB :: 31.780 CG :: 28.300 CD :: 50.340 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 :: 4.267 HB2 :: 2.371 HB3 :: 2.371 HG2 :: 2.209 HG3 :: 1.953 HD2 :: 3.899 HD3 :: 3.944 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.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.12 L 0.11 D 0.09 I 0.05 R 0.02 N 0.01 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 179.010 CA :: 57.500 CB :: 40.700 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 :: 8.380 HA :: 4.340 HB2 :: 2.568 HB3 :: 2.568 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 :: 115.600 Ave N Shift Values>> N :: 120.73(4.2) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.27 K 0.16 Q 0.15 I 0.08 R 0.01 C Shift Assignments>> C :: 178.500 CA :: 59.140 CB :: 29.400 CG :: 35.050 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 :: 7.770 HA :: 3.993 HB2 :: 2.627 HB3 :: 1.740 HG2 :: 2.603 HG3 :: 2.358 HE21 :: 6.960 HE22 :: 7.700 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 :: 120.100 NE2 :: 112.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.200 CA :: 66.050 CB :: 37.300 CG1 :: 30.083 CG2 :: 18.750 CD1 :: 13.750 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 :: 8.600 HA :: 3.544 HB :: 2.008 HG12 :: 1.710 HG13 :: 0.799 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 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 :: 120.700 Ave N Shift Values>> N :: 121.6(4.72) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 G 0.01 C Shift Assignments>> C :: 179.500 CA :: 60.200 CB :: 32.100 CG :: 25.910 CD :: 29.400 CE :: 42.000 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 :: 8.430 HA :: 3.925 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.293 HG3 :: 1.502 HD2 :: 1.626 HD3 :: 1.639 HE2 :: 2.846 HE3 :: 2.846 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 :: 120.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.23 G 0.01 C Shift Assignments>> C :: 179.900 CA :: 59.500 CB :: 32.200 CG :: 25.660 CD :: 29.200 CE :: 42.290 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 :: 7.710 HA :: 4.078 HB2 :: 2.083 HB3 :: 1.845 HG2 :: 1.647 HG3 :: 1.417 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.930 HE3 :: 2.930 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 :: 121.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V46 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 :: 177.100 CA :: 67.250 CB :: 31.020 CG1 :: 23.750 CG2 :: 20.920 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 :: 7.920 HA :: 3.457 HB :: 2.514 HG11 :: 1.114 HG12 :: 1.114 HG13 :: 1.114 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 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 :: 120.000 Ave N Shift Values>> N :: 121.02(4.96) 1.F47 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.15 F 0.13 Y 0.12 C Shift Assignments>> C :: 177.500 CA :: 62.680 CB :: 38.710 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 :: 8.700 HA :: 3.130 HB2 :: 2.830 HB3 :: 3.260 HD1 :: 6.549 HD2 :: 6.549 HE1 :: 6.853 HE2 :: 6.853 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 :: 121.200 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 174.800 CA :: 46.740 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.807 HA2 :: 3.759 HA3 :: 3.759 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.500 Ave N Shift Values>> N :: 109.91(4.29) 1.I49 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 :: 176.600 CA :: 63.770 CB :: 38.430 CG1 :: 28.640 CG2 :: 17.010 CD1 :: 13.580 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 :: 7.164 HA :: 3.537 HB :: 1.784 HG12 :: 1.688 HG13 :: 0.947 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 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 :: 119.916 Ave N Shift Values>> N :: 121.6(4.72) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 R 0.05 A 0.01 C Shift Assignments>> C :: 177.600 CA :: 56.400 CB :: 41.280 CG :: 26.500 CD1 :: 26.620 CD2 :: 23.270 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 :: 7.130 HA :: 3.637 HB2 :: 1.323 HB3 :: 1.049 HG :: 1.795 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 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 :: 117.667 Ave N Shift Values>> N :: 121.98(4.07) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.16 C 0.16 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 176.900 CA :: 52.140 CB :: 38.680 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 :: 7.284 HA :: 4.217 HB2 :: 2.409 HB3 :: 2.409 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 :: 117.036 Ave N Shift Values>> N :: 120.73(4.2) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.24 E 0.13 R 0.05 I 0.03 C Shift Assignments>> C :: 177.700 CA :: 58.860 CB :: 28.700 CG :: 33.950 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 :: 7.666 HA :: 3.810 HB2 :: 2.020 HB3 :: 2.070 HG2 :: 2.382 HG3 :: 2.487 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 :: 125.059 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.15 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 175.900 CA :: 52.600 CB :: 38.760 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 :: 8.601 HA :: 4.493 HB2 :: 2.972 HB3 :: 2.637 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 :: 115.929 Ave N Shift Values>> N :: 120.73(4.2) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.33 L 0.16 K 0.12 G 0.02 C Shift Assignments>> C :: 176.800 CA :: 56.300 CB :: 28.350 CG :: 24.450 CD :: 28.200 CE :: 42.560 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 :: 7.799 HA :: 3.941 HB2 :: 1.964 HB3 :: 1.817 HG2 :: 1.273 HG3 :: 1.342 HD2 :: 1.562 HD3 :: 1.687 HE2 :: 2.985 HE3 :: 2.985 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 :: 117.457 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.400 CA :: 59.050 CB :: 64.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.236 HA :: 4.327 HB2 :: 4.082 HB3 :: 3.807 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 :: 118.163 Ave N Shift Values>> N :: 116.3(3.95) 1.G56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.800 CA :: 44.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.882(S) HA2 :: 4.053 HA3 :: 3.344 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.117 Ave N Shift Values>> N :: 109.91(4.29) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.27 C 0.12 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 173.500 CA :: 56.150 CB :: 43.770 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 :: 7.916 HA :: 5.258 HB2 :: 2.627 HB3 :: 2.627 HD1 :: 6.945 HD2 :: 6.945 HE1 :: 7.384 HE2 :: 7.384 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 :: 115.699 Ave N Shift Values>> N :: 120.69(4.18) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.100 CA :: 60.630 CB :: 38.790 CG1 :: 25.990 CG2 :: 18.082 CD1 :: 14.390 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 :: 9.242 HA :: 4.346 HB :: 1.614 HG12 :: 1.159 HG13 :: 0.366 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.261 HD12 :: 0.261 HD13 :: 0.261 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 :: 120.193 Ave N Shift Values>> N :: 121.6(4.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.43 K 0.05 Q 0.03 I 0.02 C Shift Assignments>> C :: 177.400 CA :: 55.160 CB :: 30.890 CG :: 36.400 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 :: 8.681 HA :: 4.584 HB2 :: 2.410 HB3 :: 1.890 HG2 :: 2.240 HG3 :: 2.370 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 :: 125.766 Ave N Shift Values>> N :: 120.68(3.68) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.32 E 0.2 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.900 CA :: 61.590 CB :: 29.510 CG :: 36.250 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 :: 9.385 HA :: 3.566 HB2 :: 1.986 HB3 :: 2.071 HG2 :: 2.147 HG3 :: 2.051 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 :: 123.309 Ave N Shift Values>> N :: 120.68(3.68) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.800 CA :: 59.750 CB :: 29.260 CG :: 36.600 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 :: 9.085 HA :: 4.024 HB2 :: 1.970 HB3 :: 2.060 HG2 :: 2.293 HG3 :: 2.293 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 :: 115.709 Ave N Shift Values>> N :: 120.68(3.68) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.17 K 0.03 C Shift Assignments>> C :: 180.010 CA :: 58.150 CB :: 30.100 CG :: 37.250 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 :: 7.122 HA :: 4.055 HB2 :: 2.448 HB3 :: 1.988 HG2 :: 2.290 HG3 :: 2.360 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 :: 116.582 Ave N Shift Values>> N :: 120.68(3.68) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 C Shift Assignments>> C :: 178.900 CA :: 56.820 CB :: 41.550 CG :: 25.900 CD1 :: 24.150 CD2 :: 23.820 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 :: 8.335 HA :: 3.938 HB2 :: 1.590 HB3 :: 1.439 HG :: 1.420 HD11 :: 0.267 HD12 :: 0.267 HD13 :: 0.267 HD21 :: 0.149 HD22 :: 0.149 HD23 :: 0.149 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 :: 123.335 Ave N Shift Values>> N :: 121.98(4.07) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 E 0.11 R 0.07 I 0.03 C Shift Assignments>> C :: 178.010 CA :: 58.810 CB :: 28.100 CG :: 34.001 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 :: 7.792 HA :: 4.151 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.550 HG3 :: 2.460 HE21 :: 6.805 HE22 :: 7.499 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 :: 116.942 NE2 :: 110.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.26 A 0.1 R 0.01 C Shift Assignments>> C :: 177.010 CA :: 53.860 CB :: 40.960 CG :: 26.640 CD1 :: 25.370 CD2 :: 22.550 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 :: 7.152 HA :: 4.425 HB2 :: 1.788 HB3 :: 1.788 HG :: 1.773 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 117.250 Ave N Shift Values>> N :: 121.98(4.07) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 F 0.21 C 0.21 Y 0.12 R 0.05 K 0.04 G 0.02 C Shift Assignments>> C :: 178.010 CA :: 62.550 CB :: 42.080 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 :: 7.757 HA :: 3.910 HB2 :: 2.526 HB3 :: 2.526 HD1 :: 6.929 HD2 :: 6.929 HE1 :: 6.901 HE2 :: 6.901 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 :: 119.588 Ave N Shift Values>> N :: 120.69(4.18) 1.L67 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 :: 180.010 CA :: 57.200 CB :: 41.250 CG :: 26.800 CD1 :: 25.570 CD2 :: 22.970 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 :: 9.197 HA :: 3.930 HB2 :: 2.030 HB3 :: 1.290 HG :: 1.490 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.496 HD22 :: 0.496 HD23 :: 0.496 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 :: 114.236 Ave N Shift Values>> N :: 121.98(4.07) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.32 K 0.31 G 0.01 C Shift Assignments>> C :: 177.800 CA :: 56.940 CB :: 31.800 CG :: 26.020 CD :: 29.680 CE :: 42.500 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 :: 7.568 HA :: 4.645 HB2 :: 1.950 HB3 :: 1.600 HG2 :: 1.335 HG3 :: 1.335 HD2 :: 1.674 HD3 :: 1.587 HE2 :: 2.790 HE3 :: 3.070 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 :: 117.421 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.15 N 0.15 Y 0.14 F 0.14 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 174.200 CA :: 55.100 CB :: 39.850 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 :: 7.037 HA :: 4.063 HB2 :: 1.835 HB3 :: 1.790 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 :: 112.696 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 C 0.2 I 0.2 E 0.03 D 0.01 L 0.01 C Shift Assignments>> C :: 175.300 CA :: 59.200 CB :: 38.800 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 :: 7.814 HA :: 4.158 HB2 :: 3.183 HB3 :: 3.108 HD1 :: 7.205 HD2 :: 7.205 HE1 :: 6.298 HE2 :: 6.298 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 :: 116.154 Ave N Shift Values>> N :: 120.69(4.18) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.500 CA :: 57.250 CB :: 64.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.441 HA :: 4.524 HB2 :: 3.868 HB3 :: 3.388 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 :: 111.204 Ave N Shift Values>> N :: 116.3(3.95) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.600 CA :: 61.500 CB :: 62.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.224 HA :: 4.270 HB2 :: 3.968 HB3 :: 3.968 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 :: 124.882 Ave N Shift Values>> N :: 116.3(3.95) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 174.300 CA :: 57.700 CB :: 63.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.723 HA :: 4.504 HB2 :: 3.789 HB3 :: 3.926 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 :: 113.599 Ave N Shift Values>> N :: 116.3(3.95) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.21 C 0.11 C Shift Assignments>> C :: 175.600 CA :: 51.800 CB :: 21.650 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.590 HA :: 4.301 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.800 Ave N Shift Values>> N :: 123.23(3.7) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.32 K 0.15 G 0.04 C Shift Assignments>> C :: 175.500 CA :: 54.650 CB :: 30.770 CG :: 27.100 CD :: 42.900 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 :: 8.210 HA :: 4.431 HB2 :: 1.980 HB3 :: 1.770 HG2 :: 1.450 HG3 :: 1.270 HD2 :: 3.230 HD3 :: 3.070 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 :: 116.400 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.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.010 CA :: 62.100 CB :: 32.800 CG1 :: 21.960 CG2 :: 20.400 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 :: 7.890 HA :: 4.032 HB :: 2.056 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 114.400 Ave N Shift Values>> N :: 121.02(4.96) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.27 R 0.1 A 0.07 G 0.01 HN Overlap>> 1.Y26 1.Y26 C Shift Assignments>> C :: 178.300 CA :: 55.070 CB :: 42.100 CG :: 27.250 CD1 :: 25.520 CD2 :: 22.250 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 :: 8.350 HA :: 4.512 HB2 :: 1.930 HB3 :: 1.580 HG :: 1.740 HD11 :: 0.474 HD12 :: 0.474 HD13 :: 0.474 HD21 :: 0.304 HD22 :: 0.304 HD23 :: 0.304 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 :: 124.400 Ave N Shift Values>> N :: 121.98(4.07) 1.T78 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 :: 176.900 CA :: 60.900 CB :: 71.100 CG2 :: 22.090 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 :: 10.060 HA :: 4.401 HB :: 4.870 HG21 :: 1.400 HG22 :: 1.400 HG23 :: 1.400 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 :: 113.000 Ave N Shift Values>> N :: 115.7(5.05) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.500 CA :: 61.600 CB :: 62.200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.263 HA :: 4.270 HB2 :: 3.950 HB3 :: 3.950 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 :: 118.800 Ave N Shift Values>> N :: 116.3(3.95) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 I 0.09 C 0.08 V 0.02 C Shift Assignments>> C :: 181.800 CA :: 55.400 CB :: 18.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.600 HA :: 4.130 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.700 Ave N Shift Values>> N :: 123.23(3.7) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.24 I 0.15 C Shift Assignments>> C :: 180.100 CA :: 58.770 CB :: 31.800 CG :: 38.150 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 :: 4.185 HB2 :: 2.660 HB3 :: 1.930 HG2 :: 2.550 HG3 :: 2.890 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 :: 119.424 Ave N Shift Values>> N :: 120.68(3.68) 1.T82 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 :: 176.300 CA :: 67.900 CB :: 68.010 CG2 :: 22.474 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 :: 8.798 HA :: 3.635 HB :: 4.323 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 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 :: 116.782 Ave N Shift Values>> N :: 115.7(5.05) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.23 G 0.01 C Shift Assignments>> C :: 179.600 CA :: 59.500 CB :: 32.200 CG :: 25.400 CD :: 29.001 CE :: 42.400 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 :: 8.509 HA :: 3.913 HB2 :: 1.940 HB3 :: 1.840 HG2 :: 1.503 HG3 :: 1.580 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.910 HE3 :: 2.910 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 :: 120.581 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.07 C 0.06 V 0.01 C Shift Assignments>> C :: 180.010 CA :: 55.010 CB :: 18.160 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.789 HA :: 4.263 HB1 :: 1.598 HB2 :: 1.598 HB3 :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 123.23(3.7) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.22 I 0.08 D 0.06 E 0.04 L 0.03 N 0.03 C Shift Assignments>> C :: 177.600 CA :: 57.400 CB :: 38.900 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 :: 8.006 HA :: 4.460 HB2 :: 3.450 HB3 :: 3.450 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.320 HE2 :: 6.320 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 :: 122.534 Ave N Shift Values>> N :: 120.69(4.18) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.07 G 0.01 C Shift Assignments>> C :: 177.900 CA :: 58.100 CB :: 41.950 CG :: 26.600 CD1 :: 25.700 CD2 :: 23.130 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 :: 8.500 HA :: 3.694 HB2 :: 1.810 HB3 :: 1.370 HG :: 1.554 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 HD21 :: 0.634 HD22 :: 0.634 HD23 :: 0.634 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 :: 119.108 Ave N Shift Values>> N :: 121.98(4.07) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 I 0.03 C Shift Assignments>> C :: 179.900 CA :: 54.300 CB :: 18.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.144 HA :: 4.103 HB1 :: 1.460 HB2 :: 1.460 HB3 :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.694 Ave N Shift Values>> N :: 123.23(3.7) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.05 L 0.01 C Shift Assignments>> C :: 179.100 CA :: 53.800 CB :: 19.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.394 HA :: 4.133 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.367 Ave N Shift Values>> N :: 123.23(3.7) 1.G89 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 :: 178.200 CA :: 46.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.782 HA2 :: 4.198 HA3 :: 3.213 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.358 Ave N Shift Values>> N :: 109.91(4.29) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.27 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 177.010 CA :: 53.300 CB :: 39.700 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 :: 8.404 HA :: 4.850 HB2 :: 2.815 HB3 :: 2.320 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 :: 120.040 Ave N Shift Values>> N :: 120.73(4.2) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.800 CA :: 63.400 CB :: 68.970 CG2 :: 22.035 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 :: 8.831 HA :: 4.190 HB :: 4.325 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 119.250 Ave N Shift Values>> N :: 115.7(5.05) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.22 C 0.14 Y 0.11 F 0.11 L 0.1 K 0.02 C Shift Assignments>> C :: 177.400 CA :: 54.380 CB :: 39.800 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 :: 8.865 HA :: 4.680 HB2 :: 2.740 HB3 :: 2.660 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 :: 121.275 Ave N Shift Values>> N :: 120.73(4.2) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 176.800 CA :: 46.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.226 HA2 :: 3.960 HA3 :: 3.845 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.695 Ave N Shift Values>> N :: 109.91(4.29) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.26 C 0.12 L 0.11 F 0.06 Y 0.06 K 0.03 C Shift Assignments>> C :: 177.500 CA :: 53.100 CB :: 40.340 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 :: 8.948 HA :: 4.535 HB2 :: 2.800 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 :: 120.996 Ave N Shift Values>> N :: 120.73(4.2) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 172.700 CA :: 46.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.073 HA2 :: 3.958 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.499 Ave N Shift Values>> N :: 109.91(4.29) 1.K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 K 0.29 A 0.07 R 0.02 C Shift Assignments>> C :: 174.010 CA :: 54.100 CB :: 35.750 CG :: 23.030 CD :: 29.100 CE :: 41.580 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 :: 7.694 HA :: 4.690 HB2 :: 1.610 HB3 :: 1.465 HG2 :: 0.910 HG3 :: 0.910 HD2 :: 0.942 HD3 :: 0.736(S) HE2 :: 3.430 HE3 :: 3.430 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 :: 116.366 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> C :: 176.400 CA :: 60.100 CB :: 40.100 CG1 :: 27.200 CG2 :: 17.600 CD1 :: 13.500 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 :: 8.461 HA :: 4.671 HB :: 1.857 HG12 :: 1.440 HG13 :: 0.733 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 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 :: 118.363 Ave N Shift Values>> N :: 121.6(4.72) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.600 CA :: 44.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.579 HA2 :: 4.880 HA3 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.847 Ave N Shift Values>> N :: 109.91(4.29) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.200 CA :: 65.800 CB :: 30.980 CG1 :: 22.259 CG2 :: 19.700 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 :: 8.143 HA :: 2.455 HB :: 1.254 HG11 :: 0.476 HG12 :: 0.476 HG13 :: 0.476 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 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 :: 120.169 Ave N Shift Values>> N :: 121.02(4.96) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.33 E 0.23 K 0.05 Q 0.01 C Shift Assignments>> C :: 180.300 CA :: 59.700 CB :: 28.150 CG :: 36.600 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 :: 8.298 HA :: 4.059 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 2.270 HG3 :: 2.270 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 :: 121.589 Ave N Shift Values>> N :: 120.68(3.68) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 I 0.27 K 0.01 C Shift Assignments>> C :: 180.200 CA :: 59.050 CB :: 30.300 CG :: 37.850 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 :: 7.996 HA :: 4.103 HB2 :: 2.460 HB3 :: 2.460 HG2 :: 2.670 HG3 :: 2.450 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 :: 121.301 Ave N Shift Values>> N :: 120.68(3.68) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 F 0.22 Y 0.16 C 0.15 K 0.01 C Shift Assignments>> C :: 176.100 CA :: 62.130 CB :: 40.240 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 :: 8.945 HA :: 4.058 HB2 :: 3.155 HB3 :: 3.155 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 7.307 HE2 :: 7.307 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 :: 122.386 Ave N Shift Values>> N :: 120.69(4.18) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.21 Q 0.2 E 0.12 I 0.06 R 0.05 P 0.02 C Shift Assignments>> C :: 178.100 CA :: 59.850 CB :: 28.450 CG :: 34.100 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 :: 8.357 HA :: 3.652 HB2 :: 2.090 HB3 :: 2.230 HG2 :: 2.260 HG3 :: 2.380 HE21 :: 6.480 HE22 :: 7.521 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 :: 116.956 NE2 :: 112.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.100 CA :: 61.550 CB :: 62.860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.820 HA :: 4.125 HB2 :: 3.910 HB3 :: 3.910 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 :: 112.672 Ave N Shift Values>> N :: 116.3(3.95) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.04 G 0.04 C Shift Assignments>> C :: 178.300 CA :: 57.200 CB :: 42.800 CG :: 26.300 CD1 :: 24.340 CD2 :: 24.800 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 :: 7.759 HA :: 4.159 HB2 :: 1.750 HB3 :: 1.670 HG :: 1.641 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 HD21 :: 0.560 HD22 :: 0.560 HD23 :: 0.560 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 :: 122.074 Ave N Shift Values>> N :: 121.98(4.07) 1.V106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.600 CA :: 64.700 CB :: 31.600 CG1 :: 22.850 CG2 :: 21.950 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 :: 7.506 HA :: 3.250 HB :: 1.619 HG11 :: 0.315 HG12 :: 0.315 HG13 :: 0.315 HG21 :: -0.234(S) HG22 :: -0.234(S) HG23 :: -0.234(S) 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 :: 115.531 Ave N Shift Values>> N :: 121.02(4.96) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.33 R 0.26 C Shift Assignments>> C :: 175.500 CA :: 55.600 CB :: 32.300 CG :: 24.400 CD :: 28.400 CE :: 42.100 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 :: 7.240 HA :: 4.290 HB2 :: 1.740 HB3 :: 1.950 HG2 :: 1.440 HG3 :: 1.485 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.960 HE3 :: 2.960 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 :: 116.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 C 0.08 L 0.05 V 0.02 I 0.01 T 0.01 C Shift Assignments>> C :: 183.100 CA :: 54.700 CB :: 19.700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.560 HA :: 4.054 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.800 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 1 C Shift Results: #Consistent: 428 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 724 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F47 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.G56 H = 10.882(S), Expected = 8.34, Std = 0.7400, ChiSquare = 5.9226e-04 1.K96 HD3 = 0.736(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.7229e-04 1.V106 HG21 = -0.234(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4353e-04 1.V106 HG22 = -0.234(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4353e-04 1.V106 HG23 = -0.234(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4353e-04