Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.25 K 0.21 D 0.21 F 0.12 Y 0.08 R 0.05 N 0.03 C Shift Assignments>> CA :: 55.5900 CB :: 41.6930 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.5300 HB2 :: 2.6230 HB3 :: 2.6570 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.23 K 0.06 C Shift Assignments>> CA :: 57.6700 CB :: 30.5100 CG :: 28.1300 CD :: 43.9070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3820 HA :: 4.2410 HB2 :: 1.8900 HB3 :: 1.8050 HG2 :: 1.5800 HG3 :: 1.6400 HD2 :: 3.1480 HD3 :: 3.1480 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4980 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.44 G 0.03 C Shift Assignments>> CA :: 59.7100 CB :: 33.2760 CG :: 25.7800 CD :: 30.1000 CE :: 42.5520 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2260 HA :: 4.0580 HB2 :: 1.8640 HB3 :: 1.8640 HG2 :: 1.4510 HG3 :: 1.3380 HD2 :: 1.6540 HD3 :: 1.6540 HE2 :: 2.9450 HE3 :: 2.9450 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.6500 CB :: 32.0740 CG1 :: 23.1900 CG2 :: 22.2800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1090 HA :: 3.7210 HB :: 2.0520 HG11 :: 0.9880 HG12 :: 0.9880 HG13 :: 0.9880 HG21 :: 0.8730 HG22 :: 0.8730 HG23 :: 0.8730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4940 Ave N Shift Values>> N :: 121.14(4.54) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.43 I 0.05 V 0.03 L 0.02 C Shift Assignments>> CA :: 55.8900 CB :: 19.2600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3740 HA :: 4.0350 HB1 :: 1.4380 HB2 :: 1.4380 HB3 :: 1.4380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1490 Ave N Shift Values>> N :: 123.23(3.54) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 G 0.33 K 0.04 C Shift Assignments>> CA :: 59.7700 CB :: 30.7700 CG :: 28.1200 CD :: 43.9410 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9920 HA :: 4.0010 HB2 :: 1.9060 HB3 :: 1.8550 HG2 :: 1.6300 HG3 :: 1.5140 HD2 :: 3.1920 HD3 :: 3.1920 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.5870 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.46 K 0.02 M 0.02 C Shift Assignments>> CA :: 59.7700 CB :: 29.9500 CG :: 37.3920 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1650 HA :: 4.0580 HB2 :: 2.0780 HB3 :: 2.1660 HG2 :: 2.4370 HG3 :: 2.3020 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.7450 Ave N Shift Values>> N :: 120.67(3.48) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 F 0.14 Y 0.13 C Shift Assignments>> CA :: 63.0200 CB :: 39.6230 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.1800 HA :: 4.1270 HB2 :: 3.1850 HB3 :: 3.1850 HD1 :: 7.1110 HD2 :: 7.1110 HE1 :: 6.7210 HE2 :: 6.7210 HZ :: 6.4900 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4360 Ave N Shift Values>> N :: 120.45(4.18) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.3 K 0.03 C Shift Assignments>> CA :: 59.5800 CB :: 30.3200 CG :: 27.8500 CD :: 43.9410 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9100 HA :: 3.8610 HB2 :: 2.0640 HB3 :: 1.9700 HG2 :: 1.7880 HG3 :: 1.7880 HD2 :: 3.3480 HD3 :: 3.2490 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.0280 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.17 H 0.16 Q 0.13 K 0.11 I 0.08 V 0.05 M 0.05 HN Overlap>> 1.Y27 1.Y27 C Shift Assignments>> CA :: 59.1800 CB :: 30.0300 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0010 HA :: 4.4560 HB2 :: 3.2710 HB3 :: 3.1900 HD2 :: 7.0770 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.5630 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.43 G 0.04 C Shift Assignments>> CA :: 59.9800 CB :: 32.6930 CG :: 26.1700 CD :: 29.9700 CE :: 42.6230 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7960 HA :: 4.0080 HB2 :: 1.5750 HB3 :: 1.8710 HG2 :: 1.6430 HG3 :: 1.4180 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9470 HE3 :: 2.9470 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.1800 CB :: 32.1400 CG1 :: 24.3400 CG2 :: 22.5300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8210 HA :: 3.1110 HB :: 1.9720 HG11 :: 0.1660 HG12 :: 0.1660 HG13 :: 0.1660 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.1250 Ave N Shift Values>> N :: 121.14(4.54) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.22 Y 0.18 L 0.17 D 0.11 I 0.03 R 0.03 N 0.01 C Shift Assignments>> CA :: 57.4000 CB :: 41.3140 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2760 HA :: 4.2620 HB2 :: 2.7350 HB3 :: 2.6040 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.4620 Ave N Shift Values>> N :: 120.65(3.86) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.29 I 0.25 K 0.05 L 0.03 D 0.01 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> CA :: 60.1900 CB :: 40.6980 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.6640 HA :: 4.3620 HB2 :: 3.0260 HB3 :: 3.1730 HD1 :: 7.1470 HD2 :: 7.1470 HE1 :: 7.1920 HE2 :: 7.1920 HZ :: 7.3280 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.9140 Ave N Shift Values>> N :: 120.45(4.18) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.3 R 0.08 C Shift Assignments>> CA :: 56.4200 CB :: 45.0780 CG :: 27.9700 CD1 :: 26.5400 CD2 :: 23.6600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6580 HA :: 4.2340 HB2 :: 1.3050 HB3 :: 1.7250 HG :: 1.9500 HD11 :: 0.8230 HD12 :: 0.8230 HD13 :: 0.8230 HD21 :: 0.9270 HD22 :: 0.9270 HD23 :: 0.9270 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.7370 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.5400 CB :: 38.3570 CG1 :: 27.5800 CG2 :: 20.0400 CD1 :: 13.2600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3360 HA :: 4.1080 HB :: 1.9380 HG12 :: 1.3140 HG13 :: 0.9240 HG21 :: 0.8090 HG22 :: 0.8090 HG23 :: 0.8090 HD11 :: 0.6040 HD12 :: 0.6040 HD13 :: 0.6040 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.5330 Ave N Shift Values>> N :: 121.46(4.28) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.15 I 0.12 K 0.01 Q 0.01 C Shift Assignments>> CA :: 58.6000 CB :: 31.0100 CG :: 37.0870 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2760 HA :: 4.2100 HB2 :: 2.0150 HB3 :: 1.9250 HG2 :: 2.1760 HG3 :: 2.1760 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.5310 Ave N Shift Values>> N :: 120.67(3.48) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.09 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> CA :: 53.7380 CB :: 41.1780 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7000 HA :: 4.8050 HB2 :: 2.8520 HB3 :: 2.8520 HD21 :: 7.8230 HD22 :: 7.2780 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6300 ND2 :: 115.1760 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.23 K 0.2 L 0.1 I 0.09 D 0.04 R 0.02 C Shift Assignments>> CA :: 58.8500 CB :: 41.3140 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9980 HA :: 4.2490 HB2 :: 2.5950 HB3 :: 2.7730 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.4280 Ave N Shift Values>> N :: 120.65(3.86) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.07 V 0.01 C Shift Assignments>> CA :: 56.0000 CB :: 18.6500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3460 HA :: 4.2600 HB1 :: 1.4610 HB2 :: 1.4610 HB3 :: 1.4610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2710 Ave N Shift Values>> N :: 123.23(3.54) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 E 0.11 M 0.06 K 0.04 HN Overlap>> 2.R13 2.E6 2.R13 2.E6 C Shift Assignments>> CA :: 60.3600 CB :: 31.7720 CG :: 39.3230 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7240 HA :: 4.1140 HB2 :: 1.8930 HB3 :: 2.1680 HG2 :: 2.0960 HG3 :: 2.4090 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.7160 Ave N Shift Values>> N :: 120.67(3.48) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.18 K 0.04 C Shift Assignments>> CA :: 61.6700 CB :: 33.0700 CG :: 27.4200 CD :: 30.4900 CE :: 43.0080 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6180 HA :: 3.8110 HB2 :: 1.8650 HB3 :: 2.1120 HG2 :: 1.5830 HG3 :: 1.2630 HD2 :: 1.8430 HD3 :: 1.9850 HE2 :: 2.9740 HE3 :: 2.9740 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.27 K 0.12 L 0.1 I 0.1 D 0.06 C Shift Assignments>> CA :: 58.5100 CB :: 40.8370 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4240 HA :: 4.4890 HB2 :: 2.8460 HB3 :: 2.7790 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.0100 Ave N Shift Values>> N :: 120.65(3.86) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 Y 0.17 F 0.14 C Shift Assignments>> CA :: 62.1900 CB :: 38.4990 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6760 HA :: 4.2430 HB2 :: 3.1610 HB3 :: 3.1610 HD1 :: 6.9920 HD2 :: 6.9920 HE1 :: 6.6800 HE2 :: 6.6800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.4170 Ave N Shift Values>> N :: 120.52(4.2) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 L 0.23 K 0.09 G 0.03 C Shift Assignments>> CA :: 59.4400 CB :: 42.1510 CG :: 28.1000 CD1 :: 27.4200 CD2 :: 26.0000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9650 HA :: 3.6010 HB2 :: 2.0740 HB3 :: 1.4570 HG :: 1.2200 HD11 :: 0.5700 HD12 :: 0.5700 HD13 :: 0.5700 HD21 :: 0.6410 HD22 :: 0.6410 HD23 :: 0.6410 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9600 Ave N Shift Values>> N :: 121.86(3.9) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 Y 0.06 F 0.05 HN Overlap>> 1.H11 1.H11 C Shift Assignments>> CA :: 64.4100 CB :: 38.4030 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0970 HA :: 3.7760 HB2 :: 2.3740 HB3 :: 2.3000 HD1 :: 6.4930 HD2 :: 6.4930 HE1 :: 6.7840 HE2 :: 6.7840 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.5210 Ave N Shift Values>> N :: 120.52(4.2) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 K 0.22 Y 0.21 L 0.12 I 0.07 D 0.05 R 0.03 C Shift Assignments>> CA :: 58.5400 CB :: 41.3940 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3550 HA :: 4.4760 HB2 :: 2.8740 HB3 :: 2.5670 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.3840 Ave N Shift Values>> N :: 120.65(3.86) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.6500 CB :: 31.9180 CG1 :: 23.4400 CG2 :: 23.3300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2520 HA :: 3.7130 HB :: 2.1810 HG11 :: 0.7840 HG12 :: 0.7840 HG13 :: 0.7840 HG21 :: 0.5430 HG22 :: 0.5430 HG23 :: 0.5430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2720 Ave N Shift Values>> N :: 121.14(4.54) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.24 G 0.02 C Shift Assignments>> CA :: 58.8800 CB :: 42.2810 CG :: 27.2600 CD1 :: 26.1200 CD2 :: 22.6300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9870 HA :: 4.0430 HB2 :: 1.2210 HB3 :: 1.9930 HG :: 1.7140 HD11 :: 0.4020 HD12 :: 0.4020 HD13 :: 0.4020 HD21 :: 0.6320 HD22 :: 0.6320 HD23 :: 0.6320 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.4430 Ave N Shift Values>> N :: 121.86(3.9) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 G 0.4 K 0.03 C Shift Assignments>> CA :: 60.3800 CB :: 30.4000 CG :: 28.1900 CD :: 43.9640 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6370 HA :: 4.0160 HB2 :: 2.0130 HB3 :: 2.2400 HG2 :: 1.6310 HG3 :: 1.7640 HD2 :: 3.3470 HD3 :: 3.2490 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.3860 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 C Shift Assignments>> CA :: 58.4900 CB :: 31.6770 CG :: 32.8380 CE :: 17.270 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3270 HA :: 4.3590 HB2 :: 2.2090 HB3 :: 2.2090 HG2 :: 2.6400 HG3 :: 2.7060 HE1 :: 2.0480 HE2 :: 2.0480 HE3 :: 2.0480 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.0060 Ave N Shift Values>> N :: 120.09(3.57) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 F 0.27 Y 0.26 C Shift Assignments>> CA :: 61.0000 CB :: 39.6870 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0540 HA :: 4.7240 HB2 :: 3.2280 HB3 :: 3.0030 HD1 :: 6.8360 HD2 :: 6.8360 HE1 :: 6.4170 HE2 :: 6.4170 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.2200 Ave N Shift Values>> N :: 120.52(4.2) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 R 0.11 P 0.11 E 0.1 K 0.09 H 0.08 M 0.05 I 0.04 Q 0.04 C Shift Assignments>> CA :: 60.7100 CB :: 31.3920 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.5480 HA :: 3.7760 HB2 :: 2.9450 HB3 :: 3.3330 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.8600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Q 0.26 M 0.18 K 0.13 I 0.03 C Shift Assignments>> CA :: 58.6800 CB :: 30.5500 CG :: 34.8880 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5420 HA :: 4.0000 HB2 :: 2.2790 HB3 :: 2.2000 HG2 :: 2.5170 HG3 :: 2.3670 HE21 :: 7.3710 HE22 :: 6.8330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.5820 NE2 :: 111.9330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.9800 CB :: 71.6700 CG2 :: 22.1800 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5690 HA :: 4.2140 HB :: 4.2500 HG21 :: 1.3220 HG22 :: 1.3220 HG23 :: 1.3220 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.1170 Ave N Shift Values>> N :: 115.42(4.75) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.36 C Shift Assignments>> CA :: 56.4300 CB :: 31.3990 CG :: 33.7240 CE :: 18.9400 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.5420 HA :: 3.7400 HB2 :: 2.1310 HB3 :: 2.1310 HG2 :: 1.9590 HG3 :: 2.6010 HE1 :: 1.6800 HE2 :: 1.6800 HE3 :: 1.6800 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.4440 Ave N Shift Values>> N :: 120.09(3.57) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.29 K 0.13 R 0.07 N 0.06 F 0.06 Y 0.03 C Shift Assignments>> CA :: 53.4760 CB :: 42.0400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4560 HA :: 4.9440 HB2 :: 3.0420 HB3 :: 2.2510 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.0200 Ave N Shift Values>> N :: 120.65(3.86) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.8400 CB :: 32.7000 CG1 :: 23.9100 CG2 :: 20.8200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4250 HA :: 3.8310 HB :: 1.8080 HG11 :: 0.9690 HG12 :: 0.9690 HG13 :: 0.9690 HG21 :: 0.7420 HG22 :: 0.7420 HG23 :: 0.7420 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.5070 Ave N Shift Values>> N :: 121.14(4.54) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.06 V 0.01 C Shift Assignments>> CA :: 55.8600 CB :: 18.4700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9980 HA :: 3.9870 HB1 :: 1.4280 HB2 :: 1.4280 HB3 :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6210 Ave N Shift Values>> N :: 123.23(3.54) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> CA :: 66.6800 CB :: 32.7020 CG1 :: 24.1600 CG2 :: 22.2600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.6630 HA :: 3.5710 HB :: 1.7660 HG11 :: 0.9230 HG12 :: 0.9230 HG13 :: 0.9230 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1320 Ave N Shift Values>> N :: 121.14(4.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> CA :: 58.9900 CB :: 40.7050 CG :: 28.0200 CD1 :: 25.8100 CD2 :: 23.9700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3610 HA :: 4.2600 HB2 :: 1.3170 HB3 :: 1.9430 HG :: 1.2150 HD11 :: 0.1260 HD12 :: 0.1260 HD13 :: 0.1260 HD21 :: 0.6540 HD22 :: 0.6540 HD23 :: 0.6540 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.1900 Ave N Shift Values>> N :: 121.86(3.9) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.7800 CB :: 31.9800 CG1 :: 22.6700 CG2 :: 24.8200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0620 HA :: 3.4170 HB :: 1.9260 HG11 :: 0.7330 HG12 :: 0.7330 HG13 :: 0.7330 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.8020 Ave N Shift Values>> N :: 121.14(4.54) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 G 0.28 A 0.15 N 0.05 D 0.01 L 0.01 C Shift Assignments>> CA :: 48.3160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9010 HA2 :: 3.9460 HA3 :: 3.7280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2420 Ave N Shift Values>> N :: 109.67(3.87) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.14 K 0.13 D 0.1 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.7600 CB :: 40.8680 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6800 HA :: 4.6650 HB2 :: 2.6550 HB3 :: 2.8640 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.3590 Ave N Shift Values>> N :: 120.65(3.86) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 L 0.37 G 0.09 C Shift Assignments>> CA :: 58.1200 CB :: 42.9990 CG :: 26.8700 CD1 :: 23.3800 CD2 :: 27.3400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0180 HA :: 4.0660 HB2 :: 1.2110 HB3 :: 2.3230 HG :: 2.1110 HD11 :: 0.6050 HD12 :: 0.6050 HD13 :: 0.6050 HD21 :: 0.9040 HD22 :: 0.9040 HD23 :: 0.9040 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2010 Ave N Shift Values>> N :: 121.86(3.9) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 K 0.1 G 0.05 C Shift Assignments>> CA :: 60.2900 CB :: 33.1410 CG :: 27.5300 CD :: 30.4100 CE :: 42.5120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0170 HA :: 3.9700 HB2 :: 2.0010 HB3 :: 2.0010 HG2 :: 2.0230 HG3 :: 1.5500 HD2 :: 1.7280 HD3 :: 1.7280 HE2 :: 2.9000 HE3 :: 2.8220 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.1960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.24 G 0.01 C Shift Assignments>> CA :: 57.6700 CB :: 42.1600 CG :: 28.1500 CD1 :: 23.8900 CD2 :: 25.3500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1430 HA :: 4.1610 HB2 :: 1.8370 HB3 :: 1.4900 HG :: 1.7420 HD11 :: 0.7050 HD12 :: 0.7050 HD13 :: 0.7050 HD21 :: 0.9530 HD22 :: 0.9530 HD23 :: 0.9530 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3580 Ave N Shift Values>> N :: 121.86(3.9) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.0600 CB :: 35.1660 CG1 :: 21.6900 CG2 :: 22.6800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.2660 HA :: 4.4730 HB :: 2.0210 HG11 :: 1.0100 HG12 :: 1.0100 HG13 :: 1.0100 HG21 :: 1.0460 HG22 :: 1.0460 HG23 :: 1.0460 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.6620 Ave N Shift Values>> N :: 121.14(4.54) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> CA :: 61.5900 CB :: 35.1610 CG1 :: 27.6200 CG2 :: 20.3000 CD1 :: 14.1800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4750 HA :: 3.8450 HB :: 1.5130 HG12 :: 1.3480 HG13 :: 0.4920 HG21 :: 0.4890 HG22 :: 0.4890 HG23 :: 0.4890 HD11 :: -0.1180 HD12 :: -0.1180 HD13 :: -0.1180 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.6310 Ave N Shift Values>> N :: 121.46(4.28) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.21 F 0.09 Y 0.09 L 0.06 C Shift Assignments>> CA :: 53.4480 CB :: 38.9610 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.3470 HA :: 4.7070 HB2 :: 3.1100 HB3 :: 2.5200 HD21 :: 6.7500 HD22 :: 7.1070 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0270 ND2 :: 109.7160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 M 0.36 Q 0.16 K 0.05 C Shift Assignments>> CA :: 54.7850 CB :: 31.0200 CG :: 35.5740 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4380 HA :: 4.8880 HB2 :: 2.2230 HB3 :: 2.0020 HG2 :: 2.2220 HG3 :: 2.1640 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.8890 Ave N Shift Values>> N :: 120.67(3.48) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.9600 CB :: 32.9480 CG :: 28.3200 CD :: 51.5840 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2100 HB2 :: 2.4350 HB3 :: 2.0200 HG2 :: 2.0400 HG3 :: 2.2140 HD2 :: 3.9120 HD3 :: 3.9120 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.6500 CB :: 62.9300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9460 HA :: 4.1730 HB2 :: 3.9430 HB3 :: 3.9430 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7110 Ave N Shift Values>> N :: 116.28(3.52) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.98 R 0.01 C Shift Assignments>> CA :: 57.3100 CB :: 33.6120 CG :: 29.0100 CD :: 45.7730 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7590 HA :: 4.4040 HB2 :: 1.7740 HB3 :: 1.9770 HG2 :: 1.5770 HG3 :: 1.9740 HD2 :: 3.2010 HD3 :: 3.2470 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.4550 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 C Shift Assignments>> CA :: 59.9000 CB :: 40.9970 CG :: 27.8600 CD1 :: 23.8200 CD2 :: 26.0400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4720 HA :: 4.1350 HB2 :: 1.5760 HB3 :: 2.1110 HG :: 1.9380 HD11 :: 0.9870 HD12 :: 0.9870 HD13 :: 0.9870 HD21 :: 1.0250 HD22 :: 1.0250 HD23 :: 1.0250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.4680 Ave N Shift Values>> N :: 121.86(3.9) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 S 0.21 C Shift Assignments>> CA :: 66.1800 CB :: 32.3900 CG :: 29.2500 CD :: 52.6020 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6960 HB2 :: 2.6330 HB3 :: 1.5340 HG2 :: 2.1430 HG3 :: 2.0000 HD2 :: 3.7410 HD3 :: 3.3830 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.28 G 0.01 K 0.01 C Shift Assignments>> CA :: 58.3200 CB :: 42.0280 CG :: 27.9100 CD1 :: 26.0300 CD2 :: 24.9600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7340 HA :: 4.0500 HB2 :: 1.7430 HB3 :: 1.2480 HG :: 1.6910 HD11 :: 0.7960 HD12 :: 0.7960 HD13 :: 0.7960 HD21 :: 0.6150 HD22 :: 0.6150 HD23 :: 0.6150 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9230 Ave N Shift Values>> N :: 121.86(3.9) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 Y 0.12 F 0.11 C Shift Assignments>> CA :: 63.0800 CB :: 38.8520 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.3120 HA :: 4.4790 HB2 :: 3.1960 HB3 :: 2.9810 HD1 :: 7.5600 HD2 :: 7.5600 HE1 :: 7.2100 HE2 :: 7.2100 HZ :: 7.0790 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.6320 Ave N Shift Values>> N :: 120.45(4.18) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.22 Y 0.17 L 0.15 D 0.08 R 0.04 I 0.04 C Shift Assignments>> CA :: 57.8700 CB :: 41.5410 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4620 HA :: 4.6710 HB2 :: 2.9100 HB3 :: 2.7700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.6030 Ave N Shift Values>> N :: 120.65(3.86) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 I 0.01 C Shift Assignments>> CA :: 54.5460 CB :: 18.8800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6640 HA :: 4.2610 HB1 :: 1.5350 HB2 :: 1.5350 HB3 :: 1.5350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4700 Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 V 0.08 C Shift Assignments>> CA :: 63.4200 CB :: 40.1550 CG1 :: 32.3350 CG2 :: 18.3900 CD1 :: 16.2300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6530 HA :: 3.6820 HB :: 1.9120 HG12 :: 2.0330 HG13 :: 0.9250 HG21 :: 0.6610 HG22 :: 0.6610 HG23 :: 0.6610 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.5250 Ave N Shift Values>> N :: 121.46(4.28) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.25 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 C Shift Assignments>> CA :: 62.3700 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.9170 HA :: 3.4740 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.0160 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.7400 CB :: 32.1870 CG :: 28.8400 CD :: 50.8650 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3110 HB2 :: 1.5110 HB3 :: 2.2780 HG2 :: 1.8820 HG3 :: 1.8820 HD2 :: 3.6880 HD3 :: 3.5520 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.31 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.6600 CB :: 42.1080 CG :: 28.1000 CD1 :: 23.9500 CD2 :: 26.0400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0740 HA :: 3.9200 HB2 :: 1.3110 HB3 :: 1.8240 HG :: 1.4280 HD11 :: 0.2930 HD12 :: 0.2930 HD13 :: 0.2930 HD21 :: 0.1580 HD22 :: 0.1580 HD23 :: 0.1580 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.7130 Ave N Shift Values>> N :: 121.86(3.9) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 A 0.46 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> CA :: 56.7600 CB :: 36.6440 CG1 :: 26.1900 CG2 :: 17.1500 CD1 :: 10.3600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3980 HA :: 4.3050 HB :: 2.1100 HG12 :: 0.0360 HG13 :: 1.3540 HG21 :: 0.8490 HG22 :: 0.8490 HG23 :: 0.8490 HD11 :: 0.0880 HD12 :: 0.0880 HD13 :: 0.0880 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.1290 Ave N Shift Values>> N :: 121.46(4.28) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> CA :: 63.6400 CB :: 33.2890 CG :: 28.8900 CD :: 51.8450 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3050 HB2 :: 2.2950 HB3 :: 1.6210 HG2 :: 1.7890 HG3 :: 1.8510 HD2 :: 4.4250 HD3 :: 4.0090 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.17 G 0.05 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> CA :: 59.6200 CB :: 42.4670 CG :: 27.8900 CD1 :: 25.0400 CD2 :: 24.9000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4710 HA :: 3.8500 HB2 :: 1.6020 HB3 :: 1.6660 HG :: 1.6610 HD11 :: 0.9110 HD12 :: 0.9110 HD13 :: 0.9110 HD21 :: 0.8720 HD22 :: 0.8720 HD23 :: 0.8720 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.6730 Ave N Shift Values>> N :: 121.86(3.9) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.15 G 0.02 C Shift Assignments>> CA :: 59.0200 CB :: 32.5060 CG :: 24.6000 CD :: 29.9700 CE :: 42.3990 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5360 HA :: 4.1690 HB2 :: 1.8370 HB3 :: 1.6730 HG2 :: 1.1270 HG3 :: 0.8490 HD2 :: 1.5300 HD3 :: 1.5300 HE2 :: 2.7500 HE3 :: 2.6970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.2470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.2 E 0.18 K 0.15 N 0.04 Y 0.03 H 0.02 R 0.02 F 0.01 C Shift Assignments>> CA :: 54.8890 CB :: 35.0380 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0600 HA :: 5.2250 HB2 :: 3.3390 HB3 :: 2.9060 HD2 :: 6.9530 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.8490 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 E 0.24 K 0.03 Q 0.01 HN Overlap>> 1.V41 1.V41 C Shift Assignments>> CA :: 61.6900 CB :: 29.2500 CG :: 36.4410 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7320 HA :: 3.6990 HB2 :: 2.0000 HB3 :: 2.1400 HG2 :: 1.9460 HG3 :: 2.5630 HE21 :: 6.6490 HE22 :: 7.4870 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.1300 NE2 :: 112.1480 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.2200 CB :: 31.8140 CG1 :: 23.5800 CG2 :: 21.6200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2030 HA :: 3.8080 HB :: 2.0420 HG11 :: 1.0510 HG12 :: 1.0510 HG13 :: 1.0510 HG21 :: 0.8970 HG22 :: 0.8970 HG23 :: 0.8970 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1820 Ave N Shift Values>> N :: 121.14(4.54) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.37 M 0.05 K 0.01 C Shift Assignments>> CA :: 60.1000 CB :: 30.6600 CG :: 37.2760 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1360 HA :: 3.9780 HB2 :: 2.0200 HB3 :: 1.8690 HG2 :: 2.2400 HG3 :: 2.1900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8780 Ave N Shift Values>> N :: 120.67(3.48) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 F 0.14 Y 0.12 C Shift Assignments>> CA :: 63.3100 CB :: 40.0200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4910 HA :: 3.6770 HB2 :: 3.1480 HB3 :: 2.8000 HD1 :: 6.7980 HD2 :: 6.7980 HE1 :: 6.4640 HE2 :: 6.4640 HH :: 8.9810 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.7800 Ave N Shift Values>> N :: 120.52(4.2) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 D 0.11 K 0.08 I 0.06 N 0.01 HN Overlap>> 2.E9 2.E9 C Shift Assignments>> CA :: 57.5600 CB :: 40.5780 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5660 HA :: 4.1430 HB2 :: 2.9040 HB3 :: 2.5600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2310 Ave N Shift Values>> N :: 120.65(3.86) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 E 0.27 M 0.05 I 0.04 R 0.01 C Shift Assignments>> CA :: 58.4300 CB :: 29.4300 CG :: 34.6690 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8440 HA :: 4.0560 HB2 :: 2.2200 HB3 :: 2.0600 HG2 :: 2.5230 HG3 :: 2.3920 HE21 :: 6.7250 HE22 :: 7.2970 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.3240 NE2 :: 111.8660 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.3 A 0.02 R 0.01 HN Overlap>> 1.F15 1.F15 C Shift Assignments>> CA :: 55.9100 CB :: 45.4040 CG :: 27.2000 CD1 :: 26.4500 CD2 :: 22.7800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6650 HA :: 4.1970 HB2 :: 1.6040 HB3 :: 1.3910 HG :: 1.8680 HD11 :: 0.7730 HD12 :: 0.7730 HD13 :: 0.7730 HD21 :: 0.7910 HD22 :: 0.7910 HD23 :: 0.7910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9320 Ave N Shift Values>> N :: 121.86(3.9) 1.T78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.7500 CB :: 69.1100 CG2 :: 22.9800 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.1300 HA :: 3.7090 HB :: 3.1420 HG21 :: 0.1400(S) HG22 :: 0.1400(S) HG23 :: 0.1400(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.3230 Ave N Shift Values>> N :: 115.42(4.75) 1.P79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.6800 CB :: 32.3910 CG :: 28.6500 CD :: 50.8500 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2460 HB2 :: 2.1990 HB3 :: 1.6920 HG2 :: 1.8680 HG3 :: 1.8680 HD2 :: 2.4020(S) HD3 :: 2.8880 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.5700 CB :: 63.85 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4200 HB2 :: 3.8860 HB3 :: 3.9860 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.26 G 0.04 C Shift Assignments>> CA :: 58.5000 CB :: 42.6620 CG :: 27.8600 CD1 :: 25.4400 CD2 :: 25.0600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2160 HA :: 4.1220 HB2 :: 1.6470 HB3 :: 1.4080 HG :: 1.5610 HD11 :: 0.8520 HD12 :: 0.8520 HD13 :: 0.8520 HD21 :: 0.7800 HD22 :: 0.7800 HD23 :: 0.7800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.1870 Ave N Shift Values>> N :: 121.86(3.9) 2.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 L 0.34 K 0.14 G 0.01 C Shift Assignments>> CA :: 58.7400 CB :: 41.7950 CG :: 28.1400 CD1 :: 24.8100 CD2 :: 27.3200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2370 HA :: 3.8110 HB2 :: 1.7100 HB3 :: 1.8470 HG :: 1.4260 HD11 :: 0.8960 HD12 :: 0.8960 HD13 :: 0.8960 HD21 :: 1.0130 HD22 :: 1.0130 HD23 :: 1.0130 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.1710 Ave N Shift Values>> N :: 121.86(3.9) 2.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 G 0.06 C Shift Assignments>> CA :: 60.4200 CB :: 33.1830 CG :: 25.6100 CE :: 42.6090 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7300 HA :: 3.4480 HB2 :: 1.9140 HB3 :: 1.7360 HG2 :: 1.3300 HG3 :: 1.3300 HE2 :: 2.9450 HE3 :: 2.9450 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.38 M 0.04 K 0.02 Q 0.01 HN Overlap>> 1.E22 2.R13 1.E22 2.R13 C Shift Assignments>> CA :: 60.2900 CB :: 30.3300 CG :: 36.9280 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6600 HA :: 4.0020 HB2 :: 2.0190 HB3 :: 2.1780 HG2 :: 2.1720 HG3 :: 2.3310 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.6990 Ave N Shift Values>> N :: 120.67(3.48) 2.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.0600 CB :: 32.5770 CG1 :: 22.5800 CG2 :: 23.7000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1870 HA :: 3.8180 HB :: 2.3070 HG11 :: 0.9010 HG12 :: 0.9010 HG13 :: 0.9010 HG21 :: 0.9260 HG22 :: 0.9260 HG23 :: 0.9260 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3510 Ave N Shift Values>> N :: 121.14(4.54) 2.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.28 G 0.01 K 0.01 C Shift Assignments>> CA :: 58.6200 CB :: 42.0580 CG :: 27.2500 CD1 :: 27.0300 CD2 :: 23.8500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0630 HA :: 4.1610 HB2 :: 1.8830 HB3 :: 1.4170 HG :: 1.8040 HD11 :: 0.6290 HD12 :: 0.6290 HD13 :: 0.6290 HD21 :: 0.9000 HD22 :: 0.9000 HD23 :: 0.9000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.5050 Ave N Shift Values>> N :: 121.86(3.9) 2.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.41 M 0.02 K 0.01 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> CA :: 60.0100 CB :: 30.0700 CG :: 37.6080 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4640 HA :: 3.9680 HB2 :: 2.0950 HB3 :: 1.9700 HG2 :: 2.4300 HG3 :: 2.2350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.2790 Ave N Shift Values>> N :: 120.67(3.48) 2.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.2 L 0.19 F 0.14 Y 0.1 D 0.05 I 0.01 G 0.01 C Shift Assignments>> CA :: 57.8200 CB :: 42.6560 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0350 HA :: 4.3510 HB2 :: 2.7470 HB3 :: 2.6450 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.9710 Ave N Shift Values>> N :: 120.65(3.86) 2.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 F 0.26 Y 0.24 C Shift Assignments>> CA :: 61.4400 CB :: 40.0350 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.5390 HA :: 3.9800 HB2 :: 2.7090 HB3 :: 2.6780 HD1 :: 6.4690 HD2 :: 6.4690 HE1 :: 6.7880 HE2 :: 6.7880 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.5930 Ave N Shift Values>> N :: 120.52(4.2) 2.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.29 G 0.02 C Shift Assignments>> CA :: 57.4000 CB :: 42.4590 CG :: 27.6800 CD1 :: 23.8300 CD2 :: 25.8600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8580 HA :: 3.7950 HB2 :: 1.7430 HB3 :: 1.4900 HG :: 1.7920 HD11 :: 0.8360 HD12 :: 0.8360 HD13 :: 0.8360 HD21 :: 0.8680 HD22 :: 0.8680 HD23 :: 0.8680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4540 Ave N Shift Values>> N :: 121.86(3.9) 2.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.27 K 0.08 HN Overlap>> 1.E22 1.E22 2.E6 2.E6 C Shift Assignments>> CA :: 58.6700 CB :: 30.9300 CG :: 28.4200 CD :: 43.9070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6700 HA :: 4.0170 HB2 :: 1.8620 HB3 :: 1.8620 HG2 :: 1.6500 HG3 :: 1.5810 HD2 :: 3.1750 HD3 :: 3.1750 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.6990 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.26 G 0.05 C Shift Assignments>> CA :: 55.9700 CB :: 42.8900 CG :: 27.6200 CD1 :: 23.7800 CD2 :: 25.7000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4770 HA :: 4.1640 HB2 :: 1.5880 HB3 :: 1.4710 HG :: 1.5900 HD11 :: 0.7730 HD12 :: 0.7730 HD13 :: 0.7730 HD21 :: 0.7890 HD22 :: 0.7890 HD23 :: 0.7890 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8070 Ave N Shift Values>> N :: 121.86(3.9) 2.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.26 G 0.02 C Shift Assignments>> CA :: 56.7900 CB :: 33.0680 CG :: 25.0000 CD :: 29.4600 CE :: 42.5250 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.5100 HA :: 4.1120 HB2 :: 1.6710 HB3 :: 1.5320 HG2 :: 1.2040 HG3 :: 1.2040 HD2 :: 1.4530 HD3 :: 1.4530 HE2 :: 2.8620 HE3 :: 2.7910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.7490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.19 G 0.04 C Shift Assignments>> CA :: 58.3400 CB :: 34.3070 CG :: 25.6400 CE :: 42.6090 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6940 HA :: 4.0750 HB2 :: 1.7610 HB3 :: 1.6610 HG2 :: 1.3440 HG3 :: 1.3440 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.5250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 93 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 96 #Suspicious: 0 C Shift Results: #Consistent: 322 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 715 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T78 HG21 = 0.1400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.3749e-05 1.T78 HG22 = 0.1400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.3749e-05 1.T78 HG23 = 0.1400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.3749e-05 1.P79 HD2 = 2.4020(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.6287e-04