Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> CA :: 51.8620 CB :: 18.4780 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3660 HA :: 4.3420 HB1 :: 1.4050 HB2 :: 1.4050 HB3 :: 1.4050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9800 Ave N Shift Values>> N :: 123.23(3.54) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.26 R 0.14 D 0.02 C Shift Assignments>> CA :: 44.4740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4440 HA2 :: 3.9380 HA3 :: 3.9380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5200 Ave N Shift Values>> N :: 109.67(3.87) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> CA :: 51.8610 CB :: 18.3260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1950 HA :: 4.3360 HB1 :: 1.3930 HB2 :: 1.3930 HB3 :: 1.3930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7320 Ave N Shift Values>> N :: 123.23(3.54) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.28 R 0.17 D 0.03 C Shift Assignments>> CA :: 44.3870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4540 HA2 :: 3.9540 HA3 :: 3.9540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3650 Ave N Shift Values>> N :: 109.67(3.87) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.09 A 0.02 C Shift Assignments>> CA :: 54.9610 CB :: 32.9110 CG :: 23.9270 CD :: 28.2800 CE :: 41.0600 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 :: 8.1170 HA :: 4.3290 HB2 :: 1.7130 HB3 :: 1.7970 HG2 :: 1.4130 HG3 :: 1.4130 HD2 :: 1.6640 HD3 :: 1.6640 HE2 :: 2.9970 HE3 :: 2.9970 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 :: 120.6460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> CA :: 51.9000 CB :: 18.3490 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3010 HA :: 4.2460 HB1 :: 1.3380 HB2 :: 1.3380 HB3 :: 1.3380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3780 Ave N Shift Values>> N :: 123.23(3.54) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 L 0.33 G 0.1 D 0.06 K 0.03 I 0.01 C Shift Assignments>> CA :: 43.4920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4600 HA2 :: 3.7240 HA3 :: 4.2030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6610 Ave N Shift Values>> N :: 109.67(3.87) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 K 0.25 Q 0.25 I 0.05 M 0.02 R 0.01 C Shift Assignments>> CA :: 57.0650 CB :: 28.9100 CG :: 35.3650 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 :: 8.4050 HA :: 4.1250 HB2 :: 2.0040 HB3 :: 2.0040 HG2 :: 2.2890 HG3 :: 2.2890 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 :: 121.2780 Ave N Shift Values>> N :: 120.67(3.48) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.14 R 0.03 C Shift Assignments>> CA :: 45.0540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9210 HA2 :: 3.7980 HA3 :: 4.2900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3540 Ave N Shift Values>> N :: 109.67(3.87) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.14 Q 0.13 M 0.13 I 0.01 C Shift Assignments>> CA :: 54.1010 CB :: 29.8170 CG :: 36.0870 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 :: 7.9030 HA :: 5.0210 HB2 :: 2.0980 HB3 :: 1.4860 HG2 :: 1.7680 HG3 :: 2.0500 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 :: 119.9300 Ave N Shift Values>> N :: 120.67(3.48) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 58.4160 CB :: 39.2170 CG1 :: 26.7000 CG2 :: 15.7640 CD1 :: 13.5690 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 :: 8.7810 HA :: 4.3430 HB :: 1.7130 HG12 :: 1.8310 HG13 :: 1.0510 HG21 :: 0.8930 HG22 :: 0.8930 HG23 :: 0.8930 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 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 :: 125.1510 Ave N Shift Values>> N :: 121.46(4.28) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> CA :: 59.6530 CB :: 31.6840 CG :: 25.4910 CD :: 50.2600 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 :: 5.0000 HB2 :: 1.6200 HB3 :: 1.9500 HG2 :: 2.0000 HG3 :: 2.0000 HD2 :: 3.8000 HD3 :: 4.2100 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.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.1 G 0.03 C Shift Assignments>> CA :: 49.3180 CB :: 16.8590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7500 HA :: 4.4100 HB1 :: 1.5360 HB2 :: 1.5360 HB3 :: 1.5360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2960 Ave N Shift Values>> N :: 123.23(3.54) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.0980 CB :: 30.7880 CG :: 26.0620 CD :: 50.2700 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 :: 4.4980 HB2 :: 2.0650 HB3 :: 2.3200 HG2 :: 2.2110 HG3 :: 1.9000 HD2 :: 3.5340 HD3 :: 4.0050 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.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 G 0.04 A 0.01 C Shift Assignments>> CA :: 52.6900 CB :: 42.5560 CG :: 25.8040 CD1 :: 24.6760 CD2 :: 24.6080 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 :: 7.2200 HA :: 4.3360 HB2 :: 1.8510 HB3 :: 1.6140 HG :: 1.5010 HD11 :: 0.8120 HD12 :: 0.8120 HD13 :: 0.8120 HD21 :: 0.7120 HD22 :: 0.7120 HD23 :: 0.7120 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 :: 115.6280 Ave N Shift Values>> N :: 121.86(3.9) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 50.6340 CB :: 18.5410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9510 HA :: 4.3890 HB1 :: 1.4950 HB2 :: 1.4950 HB3 :: 1.4950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9760 Ave N Shift Values>> N :: 123.23(3.54) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.13 R 0.02 C Shift Assignments>> CA :: 45.1190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7500 HA2 :: 3.9860 HA3 :: 4.2640 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.9100 Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.9630 CB :: 70.4860 CG2 :: 20.8090 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 :: 9.0540 HA :: 5.2730 HB :: 3.8950 HG21 :: 1.0100 HG22 :: 1.0100 HG23 :: 1.0100 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 :: 116.7620 Ave N Shift Values>> N :: 115.42(4.75) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.1880 CB :: 30.4450 CG1 :: 20.8240 CG2 :: 21.4700 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 :: 9.0850 HA :: 3.8890 HB :: 2.4210 HG11 :: 0.9370 HG12 :: 0.9370 HG13 :: 0.9370 HG21 :: 0.7690 HG22 :: 0.7690 HG23 :: 0.7690 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 :: 125.8650 Ave N Shift Values>> N :: 121.14(4.54) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.3800 CB :: 63.2720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0430 HA :: 4.5710 HB2 :: 3.6240 HB3 :: 3.7540 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 :: 127.7950 Ave N Shift Values>> N :: 116.28(3.52) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 A 0.07 R 0.02 C Shift Assignments>> CA :: 54.6820 CB :: 36.4390 CG :: 23.9660 CD :: 28.3070 CE :: 41.3030 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 :: 7.5390 HA :: 4.6910 HB2 :: 1.5590 HB3 :: 1.6360 HG2 :: 1.3330 HG3 :: 1.3330 HD2 :: 1.6600 HD3 :: 1.6600 HE2 :: 2.9090 HE3 :: 2.9090 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 :: 116.8480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.7610 CB :: 38.4100 CG1 :: 27.3370 CG2 :: 17.2920 CD1 :: 14.1940 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 :: 9.4920 HA :: 4.2950 HB :: 1.8970 HG12 :: 0.7380 HG13 :: 1.4630 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 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 :: 124.9930 Ave N Shift Values>> N :: 121.46(4.28) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.03 A 0.03 C Shift Assignments>> CA :: 55.3630 CB :: 41.6990 CG :: 27.9350 CD1 :: 23.2940 CD2 :: 24.5630 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 :: 8.1010 HA :: 4.4960 HB2 :: 1.3990 HB3 :: 1.9270 HG :: 1.3670 HD11 :: 0.7910 HD12 :: 0.7910 HD13 :: 0.7910 HD21 :: 0.7020 HD22 :: 0.7020 HD23 :: 0.7020 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 :: 126.2140 Ave N Shift Values>> N :: 121.86(3.9) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 V 0.25 I 0.01 C Shift Assignments>> CA :: 57.4730 CB :: 35.2920 CG1 :: 21.7010 CG2 :: 17.2690 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 :: 7.0470 HA :: 4.8250 HB :: 2.2520 HG11 :: 0.9260 HG12 :: 0.9260 HG13 :: 0.9260 HG21 :: 0.7370 HG22 :: 0.7370 HG23 :: 0.7370 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 :: 108.7910 Ave N Shift Values>> N :: 121.14(4.54) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 A 0.39 R 0.03 G 0.01 C Shift Assignments>> CA :: 53.1690 CB :: 35.1050 CG :: 22.9740 CD :: 28.2810 CE :: 41.3250 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 :: 8.6770 HA :: 4.5840 HB2 :: 1.7690 HB3 :: 1.7690 HG2 :: 1.2950 HG3 :: 1.5170 HD2 :: 1.7030 HD3 :: 1.7030 HE2 :: 3.0560 HE3 :: 3.0560 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 :: 118.5050 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.41 K 0.07 Q 0.02 C Shift Assignments>> CA :: 58.4350 CB :: 28.0340 CG :: 36.7910 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 :: 8.7320 HA :: 3.6030 HB2 :: 1.9590 HB3 :: 1.8990 HG2 :: 2.1450 HG3 :: 2.3270 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 :: 119.8610 Ave N Shift Values>> N :: 120.67(3.48) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.32 R 0.27 D 0.04 C Shift Assignments>> CA :: 44.1060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2220 HA2 :: 3.5700 HA3 :: 4.5250 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.7640 Ave N Shift Values>> N :: 109.67(3.87) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 N 0.26 L 0.23 K 0.04 C Shift Assignments>> CA :: 54.3770 CB :: 40.3680 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 :: 8.0760 HA :: 4.6670 HB2 :: 2.8280 HB3 :: 2.6290 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 :: 121.5610 Ave N Shift Values>> N :: 120.65(3.86) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.5170 CB :: 69.2220 CG2 :: 21.1830 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 :: 8.6910 HA :: 4.8510 HB :: 4.1370 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 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 :: 115.8980 Ave N Shift Values>> N :: 115.42(4.75) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 A 0.48 C Shift Assignments>> CA :: 57.4810 CB :: 34.6570 CG1 :: 22.0540 CG2 :: 18.2530 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 :: 9.1510 HA :: 4.9500 HB :: 1.7460 HG11 :: 0.6760 HG12 :: 0.6760 HG13 :: 0.6760 HG21 :: 0.6090 HG22 :: 0.6090 HG23 :: 0.6090 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 :: 118.2460 Ave N Shift Values>> N :: 121.14(4.54) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 A 0.17 R 0.06 G 0.01 C Shift Assignments>> CA :: 52.0100 CB :: 34.2510 CG :: 23.6580 CD :: 27.9550 CE :: 41.3290 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 :: 8.0060 HA :: 4.9280 HB2 :: 1.6160 HB3 :: 1.7870 HG2 :: 1.4610 HG3 :: 1.4610 HD2 :: 1.6710 HD3 :: 1.6710 HE2 :: 3.0000 HE3 :: 3.0000 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 :: 122.3130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.33 C Shift Assignments>> CA :: 52.7680 CB :: 17.2870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9160 HA :: 3.4590 HB1 :: 1.2100 HB2 :: 1.2100 HB3 :: 1.2100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3120 Ave N Shift Values>> N :: 123.23(3.54) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.32 R 0.24 D 0.04 C Shift Assignments>> CA :: 44.1710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3310 HA2 :: 3.5250 HA3 :: 4.3350 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3210 Ave N Shift Values>> N :: 109.67(3.87) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 M 0.29 Q 0.21 R 0.08 C Shift Assignments>> CA :: 55.3410 CB :: 29.7520 CG :: 31.9700 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 :: 8.4210 HA :: 4.1730 HB2 :: 2.2990 HB3 :: 1.9720 HG2 :: 2.2330 HG3 :: 2.4120 HE21 :: 7.3770 HE22 :: 7.6160 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 :: 123.2460 NE2 :: 110.7370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.0000 CB :: 67.7570 CG2 :: 22.3550 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 :: 8.9270 HA :: 4.7580 HB :: 3.8430 HG21 :: 1.1310 HG22 :: 1.1310 HG23 :: 1.1310 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 :: 125.1850 Ave N Shift Values>> N :: 115.42(4.75) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.5560 CB :: 32.0540 CG1 :: 22.0500 CG2 :: 17.7000 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 :: 9.2330 HA :: 4.6020 HB :: 2.1430 HG11 :: 0.8670 HG12 :: 0.8670 HG13 :: 0.8670 HG21 :: 0.7730 HG22 :: 0.7730 HG23 :: 0.7730 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 :: 117.7920 Ave N Shift Values>> N :: 121.14(4.54) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.11 R 0.1 C Shift Assignments>> CA :: 54.9770 CB :: 44.9700 CG :: 26.1160 CD1 :: 27.6600 CD2 :: 27.0150 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 :: 7.9020 HA :: 4.8570 HB2 :: 1.6100 HB3 :: 1.9010 HG :: 1.9640 HD11 :: 0.8550 HD12 :: 0.8550 HD13 :: 0.8550 HD21 :: 0.8490 HD22 :: 0.8490 HD23 :: 0.8490 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 :: 121.6090 Ave N Shift Values>> N :: 121.86(3.9) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.02 M 0.02 C Shift Assignments>> CA :: 61.1230 CB :: 34.2010 CG1 :: 20.5830 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 :: 8.9800 HA :: 4.7030 HB :: 1.8040 HG11 :: 0.8620 HG12 :: 0.8620 HG13 :: 0.8620 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 :: 122.2280 Ave N Shift Values>> N :: 121.14(4.54) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.22 C Shift Assignments>> CA :: 51.8930 CB :: 45.5950 CG :: 26.3800 CD1 :: 25.1620 CD2 :: 24.8720 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 :: 8.9220 HA :: 5.0740 HB2 :: 1.3800 HB3 :: 1.3800 HG :: 1.4580 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 HD21 :: 0.7000 HD22 :: 0.7000 HD23 :: 0.7000 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 :: 128.2510 Ave N Shift Values>> N :: 121.86(3.9) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 E 0.39 Q 0.11 K 0.02 C Shift Assignments>> CA :: 54.3460 CB :: 31.3820 CG :: 35.7190 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 :: 9.5050 HA :: 5.0460 HB2 :: 1.8770 HB3 :: 2.0070 HG2 :: 1.9700 HG3 :: 2.1200 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 :: 123.7530 Ave N Shift Values>> N :: 120.67(3.48) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.04 M 0.01 C Shift Assignments>> CA :: 51.3250 CB :: 20.8030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6060 HA :: 4.7060 HB1 :: 1.4710 HB2 :: 1.4710 HB3 :: 1.4710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.7520 Ave N Shift Values>> N :: 123.23(3.54) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.27 C Shift Assignments>> CA :: 55.8060 CB :: 29.1460 CG :: 31.7650 CE :: 16.9000 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 :: 9.3600 HA :: 4.0540 HB2 :: 2.1600 HB3 :: 2.2030 HG2 :: 2.5380 HG3 :: 2.6310 HE1 :: 2.1400 HE2 :: 2.1400 HE3 :: 2.1400 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 :: 122.3120 Ave N Shift Values>> N :: 120.09(3.57) 1.K43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> K 0.83 R 0.15 C Shift Assignments>> CA :: 57.1460 CB :: 29.6800 CG :: 25.1550 CD :: 29.8340 CE :: 41.2410 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 :: 8.8170 HA :: 3.8220 HB2 :: 2.1030 HB3 :: 1.9810 HG2 :: 1.3000 HG3 :: 1.3000 HD2 :: 1.4730 HD3 :: 1.5510 HE2 :: 3.1760 HE3 :: 3.1760 HZ1 :: 8.0380(U) HZ2 :: 8.0380(U) HZ3 :: 8.0380(U) 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 :: 110.3130 NZ :: 127.4650(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.43 C Shift Assignments>> CA :: 53.5700 CB :: 34.1710 CG :: 30.8120 CE :: 16.9000 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 :: 7.9110 HA :: 4.7780 HB2 :: 2.0910 HB3 :: 2.0910 HG2 :: 2.5670 HG3 :: 2.5670 HE1 :: 2.1400 HE2 :: 2.1400 HE3 :: 2.1400 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 :: 118.7390 Ave N Shift Values>> N :: 120.09(3.57) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.25 Q 0.07 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.2280 CB :: 30.7140 CG :: 36.3510 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 :: 8.7220 HA :: 4.9770 HB2 :: 1.9660 HB3 :: 1.7500 HG2 :: 1.9410 HG3 :: 2.2940 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 :: 123.4910 Ave N Shift Values>> N :: 120.67(3.48) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.4770 CB :: 70.5710 CG2 :: 19.9080 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 :: 9.3110 HA :: 4.4740 HB :: 3.7960 HG21 :: 1.1060 HG22 :: 1.1060 HG23 :: 1.1060 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 :: 120.9620 Ave N Shift Values>> N :: 115.42(4.75) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.16 Q 0.11 M 0.06 I 0.05 C Shift Assignments>> CA :: 56.2200 CB :: 29.4540 CG :: 36.2020 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 :: 8.9210 HA :: 4.2650 HB2 :: 2.0080 HB3 :: 2.0590 HG2 :: 2.1760 HG3 :: 2.4120 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 :: 127.3010 Ave N Shift Values>> N :: 120.67(3.48) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 A 0.06 C Shift Assignments>> CA :: 58.0850 CB :: 35.7040 CG1 :: 26.7490 CG2 :: 16.6860 CD1 :: 11.0940 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 :: 8.8020 HA :: 4.2880 HB :: 2.0790 HG12 :: 1.1600 HG13 :: 1.3990 HG21 :: 0.7630 HG22 :: 0.7630 HG23 :: 0.7630 HD11 :: 0.6920 HD12 :: 0.6920 HD13 :: 0.6920 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 :: 123.8100 Ave N Shift Values>> N :: 121.46(4.28) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.26 L 0.05 C Shift Assignments>> CA :: 50.0880 CB :: 39.7320 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 :: 8.7180 HA :: 5.6000 HB2 :: 2.4880 HB3 :: 2.1470 HD21 :: 6.8690 HD22 :: 7.0220 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 :: 126.1060 ND2 :: 109.8220 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 G 0.03 C Shift Assignments>> CA :: 49.3670 CB :: 16.6960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0820 HA :: 4.3510 HB1 :: 1.4150 HB2 :: 1.4150 HB3 :: 1.4150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7110 Ave N Shift Values>> N :: 123.23(3.54) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.3570 CB :: 31.6330 CG :: 26.3940 CD :: 50.5950 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 :: 4.5400 HB2 :: 2.1040 HB3 :: 2.3690 HG2 :: 2.1210 HG3 :: 2.2000 HD2 :: 3.7990 HD3 :: 3.9980 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.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 A 0.24 C Shift Assignments>> CA :: 58.3610 CB :: 71.3580 CG2 :: 19.5530 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 :: 7.3310 HA :: 4.5390 HB :: 4.2700 HG21 :: 1.0900 HG22 :: 1.0900 HG23 :: 1.0900 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 :: 108.1320 Ave N Shift Values>> N :: 115.42(4.75) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 N 0.28 L 0.21 K 0.04 C Shift Assignments>> CA :: 53.2000 CB :: 40.6900 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 :: 8.2140 HA :: 4.7630 HB2 :: 2.5830 HB3 :: 2.8680 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 :: 119.3620 Ave N Shift Values>> N :: 120.65(3.86) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.11 R 0.01 C Shift Assignments>> CA :: 45.2280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2050 HA2 :: 4.0140 HA3 :: 4.0720 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0300 Ave N Shift Values>> N :: 109.67(3.87) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 A 0.07 R 0.03 C Shift Assignments>> CA :: 53.1680 CB :: 34.2430 CG :: 23.9060 CD :: 28.4770 CE :: 41.0780 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 :: 8.9840 HA :: 5.1530 HB2 :: 1.6520 HB3 :: 1.6520 HG2 :: 1.2290 HG3 :: 1.2820 HD2 :: 1.6460 HD3 :: 1.6460 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 :: 121.1260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.7200 CB :: 29.8620 CG1 :: 20.8130 CG2 :: 21.4280 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 :: 9.2110 HA :: 3.8790 HB :: 2.3620 HG11 :: 0.8120 HG12 :: 0.8120 HG13 :: 0.8120 HG21 :: 0.6020 HG22 :: 0.6020 HG23 :: 0.6020 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 :: 123.2930 Ave N Shift Values>> N :: 121.14(4.54) 1.E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.47 M 0.22 Q 0.18 K 0.09 I 0.02 C Shift Assignments>> CA :: 57.1300 CB :: 30.6570 CG :: 35.4920 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 :: 9.0090 HA :: 4.2990 HB2 :: 1.7250 HB3 :: 1.9030 HG2 :: 2.0870 HG3 :: 2.2970 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 :: 133.0060(S) Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 A 0.07 R 0.03 G 0.01 C Shift Assignments>> CA :: 54.3930 CB :: 36.6240 CG :: 24.1950 CD :: 28.0030 CE :: 41.3010 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 :: 7.4720 HA :: 4.6160 HB2 :: 1.6540 HB3 :: 1.6540 HG2 :: 1.3280 HG3 :: 1.3280 HD2 :: 1.7040 HD3 :: 1.7040 HE2 :: 2.9460 HE3 :: 2.9460 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 :: 113.7290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.7830 CB :: 30.9980 CG1 :: 21.4070 CG2 :: 20.5640 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 :: 9.7090 HA :: 4.1710 HB :: 2.2560 HG11 :: 1.2700 HG12 :: 1.2700 HG13 :: 1.2700 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 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 :: 128.2390 Ave N Shift Values>> N :: 121.14(4.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.03 C Shift Assignments>> CA :: 56.2070 CB :: 41.0300 CG :: 27.3430 CD1 :: 22.9010 CD2 :: 23.8970 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 :: 4.2830 HB2 :: 1.5590 HB3 :: 1.6780 HG :: 1.2700 HD11 :: 0.7480 HD12 :: 0.7480 HD13 :: 0.7480 HD21 :: 0.5790 HD22 :: 0.5790 HD23 :: 0.5790 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 :: 125.5330 Ave N Shift Values>> N :: 121.86(3.9) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 V 0.23 I 0.03 C Shift Assignments>> CA :: 57.7550 CB :: 35.3780 CG1 :: 21.7850 CG2 :: 16.7540 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 :: 7.0220 HA :: 4.7140 HB :: 2.3480 HG11 :: 1.0110 HG12 :: 1.0110 HG13 :: 1.0110 HG21 :: 0.7870 HG22 :: 0.7870 HG23 :: 0.7870 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 :: 109.0350 Ave N Shift Values>> N :: 121.14(4.54) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 A 0.14 R 0.03 C Shift Assignments>> CA :: 53.3640 CB :: 34.5440 CG :: 23.5940 CD :: 28.1600 CE :: 41.0040 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 :: 8.5760 HA :: 4.5460 HB2 :: 1.7390 HB3 :: 1.7390 HG2 :: 1.3950 HG3 :: 1.4780 HD2 :: 1.3870 HD3 :: 1.3870 HE2 :: 3.0560 HE3 :: 3.0560 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 :: 118.3250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.44 K 0.05 Q 0.01 C Shift Assignments>> CA :: 58.7040 CB :: 28.5110 CG :: 37.2100 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 :: 8.7510 HA :: 3.5640 HB2 :: 1.9300 HB3 :: 1.9300 HG2 :: 2.1070 HG3 :: 2.3160 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 :: 120.1800 Ave N Shift Values>> N :: 120.67(3.48) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 K 0.11 R 0.06 G 0.01 C Shift Assignments>> CA :: 57.4880 CB :: 26.1010 CG :: 26.2530 CD :: 41.9460 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 :: 9.2330 HA :: 3.6510 HB2 :: 2.4340 HB3 :: 2.1210 HG2 :: 1.6470 HG3 :: 1.7380 HD2 :: 3.2220 HD3 :: 3.2910 HE :: 7.2900 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 :: 115.1980 NE :: 83.7000 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.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 N 0.28 L 0.22 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.7270 CB :: 40.1040 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 :: 8.0640 HA :: 4.5790 HB2 :: 2.9010 HB3 :: 2.4870 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 :: 121.1180 Ave N Shift Values>> N :: 120.65(3.86) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> CA :: 50.6220 CB :: 18.3640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5710 HA :: 4.9850 HB1 :: 1.4180 HB2 :: 1.4180 HB3 :: 1.4180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4770 Ave N Shift Values>> N :: 123.23(3.54) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 A 0.39 C Shift Assignments>> CA :: 57.5040 CB :: 34.1910 CG1 :: 21.4700 CG2 :: 18.3290 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 :: 9.0850 HA :: 4.9700 HB :: 1.8800 HG11 :: 0.7490 HG12 :: 0.7490 HG13 :: 0.7490 HG21 :: 0.6790 HG22 :: 0.6790 HG23 :: 0.6790 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 :: 115.6860 Ave N Shift Values>> N :: 121.14(4.54) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 Q 0.35 K 0.18 E 0.01 R 0.01 C Shift Assignments>> CA :: 52.4890 CB :: 30.4790 CG :: 32.9730 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 :: 8.2280 HA :: 4.5610 HB2 :: 1.8370 HB3 :: 2.1880 HG2 :: 2.4300 HG3 :: 2.4300 HE21 :: 6.8310 HE22 :: 7.6310 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 :: 120.3950 NE2 :: 112.6580 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.3950 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5660 HA2 :: 3.1810 HA3 :: 3.5860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1110 Ave N Shift Values>> N :: 109.67(3.87) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.28 R 0.17 D 0.03 C Shift Assignments>> CA :: 44.3710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3250 HA2 :: 3.5550 HA3 :: 4.3630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.2160 Ave N Shift Values>> N :: 109.67(3.87) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 M 0.24 Q 0.22 R 0.1 C Shift Assignments>> CA :: 55.5310 CB :: 29.5450 CG :: 32.0240 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 :: 7.8500 HA :: 4.1530 HB2 :: 1.9390 HB3 :: 2.2010 HG2 :: 2.4530 HG3 :: 2.4530 HE21 :: 7.3980 HE22 :: 7.6610 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 :: 122.2890 NE2 :: 111.0830 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.9140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0330 HA2 :: 3.7180 HA3 :: 3.7180 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8230 Ave N Shift Values>> N :: 109.67(3.87) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 G 0.24 R 0.04 A 0.03 C Shift Assignments>> CA :: 55.2000 CB :: 43.8590 CG :: 25.5630 CD1 :: 26.0310 CD2 :: 23.2680 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 :: 8.8820 HA :: 4.6690 HB2 :: 1.8070 HB3 :: 1.3600 HG :: 2.1680 HD11 :: 0.8430 HD12 :: 0.8430 HD13 :: 0.8430 HD21 :: 0.8050 HD22 :: 0.8050 HD23 :: 0.8050 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 :: 121.0100 Ave N Shift Values>> N :: 121.86(3.9) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 G 0.17 A 0.06 C Shift Assignments>> CA :: 58.2080 CB :: 42.8790 CG1 :: 27.3270 CG2 :: 17.1810 CD1 :: 13.5840 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 :: 6.7590 HA :: 4.6280 HB :: 1.6880 HG12 :: 1.6100 HG13 :: 1.0950 HG21 :: 0.8880 HG22 :: 0.8880 HG23 :: 0.8880 HD11 :: 0.7860 HD12 :: 0.7860 HD13 :: 0.7860 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 :: 113.9870 Ave N Shift Values>> N :: 121.46(4.28) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.06 C Shift Assignments>> CA :: 54.4560 CB :: 35.3400 CG :: 24.8260 CD :: 28.6470 CE :: 41.4990 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 :: 9.3120 HA :: 4.9410 HB2 :: 1.5820 HB3 :: 1.9010 HG2 :: 1.2960 HG3 :: 1.3400 HD2 :: 1.5800 HD3 :: 1.7460 HE2 :: 3.0720 HE3 :: 3.0720 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 :: 128.2430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> CA :: 57.9600 CB :: 38.5320 CG1 :: 26.7260 CG2 :: 16.3530 CD1 :: 12.0170 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 :: 8.7460 HA :: 4.9900 HB :: 1.8380 HG12 :: 1.5160 HG13 :: 1.1500 HG21 :: 0.7480 HG22 :: 0.7480 HG23 :: 0.7480 HD11 :: 0.7360 HD12 :: 0.7360 HD13 :: 0.7360 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 :: 129.6790 Ave N Shift Values>> N :: 121.46(4.28) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 C Shift Assignments>> CA :: 45.4580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0910 HA2 :: 3.6910 HA3 :: 4.2360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 121.6450 Ave N Shift Values>> N :: 109.67(3.87) 2.SNR1 Overall Status: Residue type SNR not supported. ########################################################################### Overall Results: #Consistent: 75 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 77 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 247 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 542 #Duplicate: 0 #Unknown: 3 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 78 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.K43 HZ1 = 8.0380(U) 1.K43 HZ2 = 8.0380(U) 1.K43 HZ3 = 8.0380(U) 1.K43 NZ = 127.4650(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.E57 N = 133.0060(S), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9287e-04