Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.58 D 0.17 C 0.08 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> C :: 175.9300 CA :: 52.3300 CB :: 38.9100 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>> HA :: 4.7500 HB2 :: 2.8500 HB3 :: 2.8500 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.04 I 0.02 C Shift Assignments>> C :: 178.2000 CA :: 54.4000 CB :: 18.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7600 HA :: 4.0800 HB1 :: 1.3813 HB2 :: 1.3813 HB3 :: 1.3813 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.0200 Ave N Shift Values>> N :: 123.23(3.54) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.29 A 0.24 C Shift Assignments>> C :: 176.2000 CA :: 53.4000 CB :: 40.6000 CG :: 27.0550 CD1 :: 22.3470 CD2 :: 25.9800 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 :: 7.7200 HA :: 4.2100 HB2 :: 1.1870 HB3 :: 1.1870 HG :: 1.4530 HD11 :: 0.7760 HD12 :: 0.7760 HD13 :: 0.7760 HD21 :: 0.9430 HD22 :: 0.9430 HD23 :: 0.9430 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 :: 115.3000 Ave N Shift Values>> N :: 121.86(3.9) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 173.5000 CA :: 59.3000 CB :: 39.2000 CD1 :: 133.0400 CD2 :: 133.0400 CE1 :: 117.5700 CE2 :: 117.5700 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 :: 6.9100 HA :: 3.7600 HB2 :: 2.5970 HB3 :: 3.1580 HD1 :: 6.9200 HD2 :: 6.9200 HE1 :: 6.6670 HE2 :: 6.6670 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 :: 122.3000 Ave N Shift Values>> N :: 120.52(4.2) 1.K5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.39 G 0.12 K 0.01 C Shift Assignments>> C :: 173.1000 CA :: 59.3000 CB :: 30.1000 CG :: 26.6830 CD :: 30.3600 CE :: 43.7550 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 :: 8.0600 HA :: 3.0600 HB2 :: 0.8480(S) HB3 :: 1.8590 HG2 :: -0.3110(S) HG3 :: -0.5570(S) HD2 :: 2.1700 HD3 :: 2.1700 HE2 :: 2.6170 HE3 :: 2.6170 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 :: 121.9000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.4000 CA :: 62.3000 CB :: 70.7000 CG2 :: 21.1130 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 :: 7.4600 HA :: 4.5300 HB :: 4.0990 HG21 :: 0.8830 HG22 :: 0.8830 HG23 :: 0.8830 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 :: 106.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 E 0.01 C Shift Assignments>> C :: 175.0000 CA :: 54.7000 CB :: 35.0000 CG :: 37.8280 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 :: 9.0800 HA :: 4.6900 HB2 :: 2.1540 HB3 :: 2.1540 HG2 :: 2.4360 HG3 :: 2.4360 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 :: 126.2000 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 A 0.04 R 0.04 C Shift Assignments>> C :: 177.0000 CA :: 56.1000 CB :: 41.8000 CG :: 26.9330 CD1 :: 25.4870 CD2 :: 22.2590 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 :: 8.7600 HA :: 4.2900 HB2 :: 1.4660 HB3 :: 1.7550 HG :: 1.8067 HD11 :: 0.9680 HD12 :: 0.9680 HD13 :: 0.9680 HD21 :: 0.6820 HD22 :: 0.6820 HD23 :: 0.6820 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 :: 125.6000 Ave N Shift Values>> N :: 121.86(3.9) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.14 R 0.12 K 0.12 E 0.1 V 0.1 H 0.1 Q 0.04 C Shift Assignments>> C :: 177.1000 CA :: 59.1000 CB :: 31.7000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.9100 HA :: 4.8300 HB2 :: 2.9020 HB3 :: 3.4370 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.1000 Ave N Shift Values>> N :: 120.17(4.64) 1.R10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.45 R 0.42 G 0.08 K 0.02 C Shift Assignments>> C :: 178.9000 CA :: 59.3000 CB :: 30.1000 CG :: 26.9230 CD :: 43.4600 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 :: 11.1700(S) HA :: 4.1900 HB2 :: 1.6240 HB3 :: 1.6240 HG2 :: 1.5410 HG3 :: 1.4040 HD2 :: 2.5980 HD3 :: 3.2140 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 :: 134.2000(S) 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.7000 CA :: 61.9000 CB :: 63.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2300 HA :: 4.4500 HB2 :: 4.3620 HB3 :: 4.3620 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 :: 117.7000 Ave N Shift Values>> N :: 116.28(3.52) 1.W12 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.21 W 0.11 P 0.07 K 0.05 E 0.04 R 0.03 Q 0.03 H 0.03 V 0.01 C Shift Assignments>> C :: 180.0000 CA :: 61.2000 CB :: 28.3870 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.2700 HA :: 3.6610 HB2 :: 3.0980 HB3 :: 3.7350 HD1 :: 7.1070 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.0000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB3 : 0.9964) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.3 I 0.13 C Shift Assignments>> C :: 178.0000 CA :: 59.3000 CB :: 30.7300 CG :: 37.4180 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 :: 8.7100 HA :: 4.0100 HB2 :: 2.2020 HB3 :: 2.2020 HG2 :: 2.4240 HG3 :: 2.4240 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 :: 118.1000 Ave N Shift Values>> N :: 120.67(3.48) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.41 I 0.07 K 0.02 Q 0.02 C Shift Assignments>> C :: 178.6000 CA :: 58.9000 CB :: 30.7000 CG :: 36.4690 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 :: 7.8100 HA :: 4.2100 HB2 :: 2.1560 HB3 :: 2.1560 HG2 :: 2.5010 HG3 :: 2.2700 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 :: 115.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.9000 CA :: 61.7000 CB :: 72.8000 CG2 :: 21.2290 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 :: 8.3000 HA :: 4.6300 HB :: 4.2630 HG21 :: 1.1770 HG22 :: 1.1770 HG23 :: 1.1770 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 :: 105.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.G16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.0000 CA :: 44.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2800 HA2 :: 2.4710(S) HA3 :: 3.4950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.9000 Ave N Shift Values>> N :: 109.67(3.87) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.5200 CA :: 56.7000 CB :: 65.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3400 HA :: 4.1500 HB2 :: 3.4500 HB3 :: 3.4500 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 :: 111.4000 Ave N Shift Values>> N :: 116.28(3.52) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 V 0.22 K 0.14 Q 0.1 W 0.06 R 0.04 H 0.03 E 0.02 P 0.01 I 0.01 C Shift Assignments>> C :: 177.0000 CA :: 59.9000 CB :: 33.4000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4300 HA :: 4.5800 HB2 :: 2.7700 HB3 :: 3.0900 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.8000 Ave N Shift Values>> N :: 120.17(4.64) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.37 G 0.09 K 0.06 L 0.05 C Shift Assignments>> C :: 177.0000 CA :: 58.4000 CB :: 28.9000 CG :: 26.6520 CD :: 43.5700 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 :: 9.2600 HA :: 4.2990 HB2 :: 1.7900 HB3 :: 1.7900 HG2 :: 1.7430 HG3 :: 1.0880 HD2 :: 3.0790 HD3 :: 3.0790 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 :: 131.1000 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.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 177.7000 CA :: 60.9000 CB :: 38.3200 CD1 :: 132.7900 CD2 :: 132.7900 CE1 :: 117.9300 CE2 :: 117.9300 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 :: 9.4000 HA :: 4.3600 HB2 :: 2.6330 HB3 :: 3.3400 HD1 :: 7.0536 HD2 :: 7.0536 HE1 :: 6.7663 HE2 :: 6.7663 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 :: 121.8000 Ave N Shift Values>> N :: 120.52(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 176.4000 CA :: 47.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9600 HA2 :: 4.1170 HA3 :: 4.1170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3000 Ave N Shift Values>> N :: 109.67(3.87) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.33 C 0.2 Y 0.13 E 0.12 F 0.1 D 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 176.3400 CA :: 54.6600 CB :: 37.4600 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>> HA :: 4.6720 HB2 :: 2.9940 HB3 :: 2.9940 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) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.17 C Shift Assignments>> C :: 176.3000 CA :: 56.1000 CB :: 32.3000 CG :: 25.4620 CD :: 29.1790 CE :: 42.1600 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 :: 8.6500 HA :: 4.4900 HB2 :: 2.2190 HB3 :: 2.2190 HG2 :: 1.5850 HG3 :: 1.7150 HD2 :: 1.8630 HD3 :: 1.8630 HE2 :: 3.1230 HE3 :: 3.1230 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 :: 119.3000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 P 0.23 C 0.22 W 0.08 I 0.04 R 0.03 E 0.02 H 0.02 K 0.02 HN Overlap>> 1.C62 1.C62 C Shift Assignments>> C :: 177.0000 CA :: 61.9000 CB :: 31.3000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3900 HA :: 4.0700 HB2 :: 2.4710 HB3 :: 3.1600 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.3000 Ave N Shift Values>> N :: 120.17(4.64) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.26 C 0.24 E 0.12 R 0.03 C Shift Assignments>> C :: 174.7000 CA :: 55.1000 CB :: 28.7000 CG :: 34.4900 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 :: 8.8900 HA :: 4.2600 HB2 :: 1.3610 HB3 :: 2.3950 HG2 :: 2.5510 HG3 :: 2.5510 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 :: 124.6000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.15 D 0.09 I 0.07 L 0.06 N 0.04 E 0.01 C Shift Assignments>> C :: 174.4000 CA :: 57.1000 CB :: 39.2000 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 :: 9.2800 HA :: 4.7200 HB2 :: 2.7990 HB3 :: 2.7990 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 :: 126.7000 Ave N Shift Values>> N :: 120.45(4.18) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 L 0.02 C Shift Assignments>> C :: 177.2000 CA :: 52.6000 CB :: 19.9000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8600 HA :: 3.7500 HB1 :: 0.9950 HB2 :: 0.9950 HB3 :: 0.9950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6000 Ave N Shift Values>> N :: 123.23(3.54) 1.H28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 W 0.28 H 0.2 C Shift Assignments>> C :: 173.7000 CA :: 51.9000 CB :: 25.6760 CD2 :: 123.6700 CE1 :: 139.4800 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 :: 10.6600(S) HA :: 4.2000 HB2 :: 2.1270 HB3 :: 2.1270 HD2 :: 6.4750 HE1 :: 7.8990 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 :: 129.1000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.3800 CA :: 43.2300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.4190 HA3 :: 3.8680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.16 R 0.16 G 0.11 C Shift Assignments>> C :: 179.1000 CA :: 59.5000 CB :: 31.8000 CG :: 24.9740 CD :: 29.3320 CE :: 43.6300 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 :: 8.5500 HA :: 3.8050 HB2 :: 1.8360 HB3 :: 1.8360 HG2 :: 1.4740 HG3 :: 1.4740 HD2 :: 1.6990 HD3 :: 1.6990 HE2 :: 2.3470 HE3 :: 2.3470 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 :: 119.0000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.2 K 0.06 Q 0.03 C Shift Assignments>> C :: 175.7000 CA :: 58.3000 CB :: 28.1000 CG :: 36.4810 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 :: 9.0600 HA :: 4.1000 HB2 :: 2.0300 HB3 :: 2.0300 HG2 :: 2.3140 HG3 :: 2.3140 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 :: 118.3000 Ave N Shift Values>> N :: 120.67(3.48) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.27 R 0.17 D 0.14 C 0.04 F 0.02 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.0000 CA :: 52.4000 CB :: 43.7000 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 :: 7.4500 HA :: 4.5900 HB2 :: 2.0630 HB3 :: 2.3340 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 :: 120.0000 Ave N Shift Values>> N :: 120.65(3.86) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.23 G 0.1 R 0.07 C Shift Assignments>> C :: 177.5000 CA :: 54.9000 CB :: 43.5000 CG :: 26.8720 CD1 :: 25.4660 CD2 :: 24.4230 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 :: 6.7300 HA :: 4.2400 HB2 :: 1.5590 HB3 :: 1.3790 HG :: 1.3500 HD11 :: 0.8280 HD12 :: 0.8280 HD13 :: 0.8280 HD21 :: 0.6210 HD22 :: 0.6210 HD23 :: 0.6210 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 :: 118.7000 Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.27 G 0.12 K 0.05 L 0.01 C Shift Assignments>> C :: 173.7000 CA :: 52.6000 CB :: 29.5700 CG :: 28.0320 CD :: 43.0790 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 :: 8.5400 HA :: 4.5700 HB2 :: 1.3500 HB3 :: 1.7710 HG2 :: 1.6330 HG3 :: 1.6330 HD2 :: 3.0220 HD3 :: 3.0220 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 :: 125.3000 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.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.8670 CA :: 62.8000 CB :: 32.4000 CG :: 27.1420 CD :: 50.1680 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 :: 4.3170 HB2 :: 1.7580 HB3 :: 2.1530 HG2 :: 1.9200 HG3 :: 1.9200 HD2 :: 3.5610 HD3 :: 3.5610 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.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.3000 CA :: 60.2000 CB :: 34.6900 CG1 :: 20.2440 CG2 :: 21.2970 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 :: 8.0100 HA :: 4.1600 HB :: 1.7570 HG11 :: 0.7266 HG12 :: 0.7266 HG13 :: 0.7266 HG21 :: 0.8530 HG22 :: 0.8530 HG23 :: 0.8530 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 :: 118.9000 Ave N Shift Values>> N :: 121.14(4.54) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.11 C 0.11 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 174.6000 CA :: 52.8000 CB :: 38.2000 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 :: 8.4900 HA :: 4.6300 HB2 :: 2.6040 HB3 :: 2.6040 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 :: 125.0000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.32 K 0.26 G 0.01 C Shift Assignments>> C :: 175.4000 CA :: 53.8000 CB :: 31.7000 CG :: 26.5060 CD :: 42.2450 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 :: 8.3300 HA :: 4.1800 HB2 :: 1.2480 HB3 :: 1.4570 HG2 :: 1.2180 HG3 :: 1.2180 HD2 :: 2.1450(S) HD3 :: 1.6690(S) 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 :: 123.4000 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.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.32 C 0.32 C Shift Assignments>> C :: 175.8000 CA :: 56.7000 CB :: 31.4000 CE1 :: 138.2400 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 :: 8.7500 HA :: 4.2900 HB2 :: 3.1730 HB3 :: 2.6360 HD2 :: 7.1480 HE1 :: 7.5560 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 :: 124.7000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.2360 CA :: 65.4180 CB :: 31.9900 CG :: 27.4530 CD :: 51.0030 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 :: 4.2500 HB2 :: 2.2900 HB3 :: 1.9200 HG2 :: 2.0200 HG3 :: 2.0200 HD2 :: 3.7490 HD3 :: 3.7490 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.K41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.18 H 0.18 C 0.16 K 0.13 W 0.12 E 0.1 Q 0.09 C Shift Assignments>> C :: 175.7000 CA :: 55.1000 CB :: 31.4000 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 :: 11.4100(S) HA :: 4.2500 HB2 :: 1.4740 HB3 :: 1.4740 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 :: 119.5200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 174.1000 CA :: 59.9000 CB :: 39.8000 CD1 :: 133.1500 CD2 :: 133.1500 CE1 :: 118.0200 CE2 :: 118.0200 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 :: 7.9600 HA :: 3.7200 HB2 :: 2.7030 HB3 :: 3.4090 HD1 :: 6.9740 HD2 :: 6.9740 HE1 :: 6.7570 HE2 :: 6.7570 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 :: 122.2000 Ave N Shift Values>> N :: 120.52(4.2) 1.K43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.32 R 0.24 C Shift Assignments>> C :: 173.7000 CA :: 57.6000 CB :: 29.8000 CG :: 24.7280 CD :: 28.6890 CE :: 42.1450 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 :: 7.9800 HA :: 3.1200 HB2 :: 1.3080 HB3 :: 1.3080 HG2 :: 0.0002(S) HG3 :: -0.5220(S) HD2 :: 1.0720 HD3 :: 0.8940 HE2 :: 2.8050 HE3 :: 2.7140 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 :: 120.7000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.3000 CA :: 62.5000 CB :: 71.7000 CG2 :: 21.1490 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 :: 7.7400 HA :: 4.5400 HB :: 4.1610 HG21 :: 0.9970 HG22 :: 0.9970 HG23 :: 0.9970 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 :: 105.7000 Ave N Shift Values>> N :: 115.42(4.75) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 E 0.18 Q 0.02 C Shift Assignments>> C :: 175.5000 CA :: 54.4000 CB :: 33.4000 CG :: 36.0530 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 :: 9.1800 HA :: 4.8900 HB2 :: 2.1960 HB3 :: 2.0390 HG2 :: 2.4750 HG3 :: 2.4750 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 :: 124.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.9000 CA :: 64.2000 CB :: 32.7000 CG2 :: 21.9970 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 :: 8.9000 HA :: 4.0000 HB :: 2.0550 HG21 :: 1.0650 HG22 :: 1.0650 HG23 :: 1.0650 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 :: 123.0000 Ave N Shift Values>> N :: 121.14(4.54) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.14 W 0.14 R 0.1 K 0.1 E 0.09 H 0.08 Q 0.03 P 0.01 I 0.01 C Shift Assignments>> C :: 177.2600 CA :: 59.7000 CB :: 31.7000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2600 HA :: 4.6900 HB2 :: 2.9860 HB3 :: 3.3710 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 130.7000 Ave N Shift Values>> N :: 120.17(4.64) 1.R48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.46 R 0.39 G 0.09 K 0.04 C Shift Assignments>> C :: 178.2000 CA :: 59.4000 CB :: 30.7000 CG :: 27.7270 CD :: 43.6060 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 :: 11.2800(S) HA :: 4.1000 HB2 :: 1.6300 HB3 :: 1.6300 HG2 :: 1.5500 HG3 :: 1.3850 HD2 :: 2.6226 HD3 :: 2.6226 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 :: 135.5000(S) 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.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.8300 CA :: 65.7000 CB :: 68.7000 CG2 :: 23.5790 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 :: 8.2200 HA :: 4.1500 HB :: 4.5818 HG21 :: 1.5580 HG22 :: 1.5580 HG23 :: 1.5580 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 :: 120.6000 Ave N Shift Values>> N :: 115.42(4.75) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.23 Y 0.2 C Shift Assignments>> C :: 179.0000 CA :: 61.9000 CB :: 39.2000 CD1 :: 130.9800 CD2 :: 130.9800 CE1 :: 130.9400 CE2 :: 130.9400 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 :: 9.7300 HA :: 3.7000 HB2 :: 2.8710 HB3 :: 3.1580 HD1 :: 6.5799 HD2 :: 6.5799 HE1 :: 7.1860 HE2 :: 7.1860 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 :: 126.9000 Ave N Shift Values>> N :: 120.45(4.18) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1400 CA :: 61.3000 CB :: 63.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2700 HA :: 4.1800 HB2 :: 3.9960 HB3 :: 3.9960 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 :: 111.6000 Ave N Shift Values>> N :: 116.28(3.52) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 L 0.02 C Shift Assignments>> C :: 178.9000 CA :: 54.0000 CB :: 19.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1700 HA :: 4.3300 HB1 :: 1.5070 HB2 :: 1.5070 HB3 :: 1.5070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0000 Ave N Shift Values>> N :: 123.23(3.54) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.08 C 0.04 C Shift Assignments>> C :: 178.6000 CA :: 52.5000 CB :: 20.8000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2700 HA :: 4.5200 HB1 :: 1.4290 HB2 :: 1.4290 HB3 :: 1.4290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.3000 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.6000 CA :: 44.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1900 HA2 :: 2.7660 HA3 :: 3.7040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2000 Ave N Shift Values>> N :: 109.67(3.87) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 A 0.01 C Shift Assignments>> C :: 170.7000 CA :: 59.6000 CB :: 70.1000 CG2 :: 19.7120 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 :: 6.9200 HA :: 4.2400 HB :: 3.9810 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 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 :: 109.6000 Ave N Shift Values>> N :: 115.42(4.75) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.23 C 0.22 R 0.07 H 0.07 W 0.04 E 0.03 V 0.01 C Shift Assignments>> C :: 175.6000 CA :: 56.0000 CB :: 33.7000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1800 HA :: 5.0400 HB2 :: 2.7590 HB3 :: 3.0700 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.5000 Ave N Shift Values>> N :: 120.17(4.64) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.45 S 0.01 C Shift Assignments>> C :: 178.0610 CA :: 64.8400 CB :: 31.4000 CG :: 26.6500 CD :: 52.3540 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 :: 4.5500 HB2 :: 2.3410 HB3 :: 2.2340 HG2 :: 2.1550 HG3 :: 1.8940 HD2 :: 4.4420 HD3 :: 3.9050 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.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 177.5000 CA :: 60.7000 CB :: 37.9000 CD1 :: 132.5100 CD2 :: 132.5100 CE1 :: 118.1500 CE2 :: 118.1500 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 :: 9.1600 HA :: 4.4600 HB2 :: 2.5780 HB3 :: 3.3080 HD1 :: 6.9280 HD2 :: 6.9280 HE1 :: 6.8995 HE2 :: 6.8995 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 :: 121.2000 Ave N Shift Values>> N :: 120.52(4.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 176.5000 CA :: 47.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9300 HA2 :: 4.1130 HA3 :: 4.1130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8000 Ave N Shift Values>> N :: 109.67(3.87) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 177.3000 CA :: 58.2000 CB :: 31.7600 CG :: 24.9320 CD :: 29.2620 CE :: 42.0110 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 :: 9.1300 HA :: 4.2900 HB2 :: 2.0320 HB3 :: 2.0320 HG2 :: 1.5990 HG3 :: 1.5990 HD2 :: 1.7870 HD3 :: 1.9780 HE2 :: 3.1220 HE3 :: 3.1220 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 :: 126.8000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 K 0.17 C Shift Assignments>> C :: 175.5000 CA :: 56.6000 CB :: 30.1000 CG :: 27.9780 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 :: 8.7300 HA :: 4.5800 HB2 :: 2.3380 HB3 :: 2.3380 HG2 :: 1.8780 HG3 :: 1.8780 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 :: 118.9000 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.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 C 0.24 P 0.17 W 0.1 I 0.05 R 0.04 E 0.04 H 0.03 K 0.02 Q 0.01 HN Overlap>> 1.C24 1.C24 C Shift Assignments>> C :: 177.2000 CA :: 61.6000 CB :: 31.1000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3400 HA :: 4.0600 HB2 :: 2.3130 HB3 :: 2.9560 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.2000 Ave N Shift Values>> N :: 120.17(4.64) 1.R63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 G 0.3 R 0.22 C Shift Assignments>> C :: 174.9000 CA :: 57.4000 CB :: 30.1910 CG :: 28.2920 CD :: 44.6230 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 :: 8.5100 HA :: 4.1390 HB2 :: 0.8410(S) HB3 :: 2.1190 HG2 :: 1.9350 HG3 :: 1.7370 HD2 :: 3.4920 HD3 :: 2.8270 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 :: 125.8000 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.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.38 C 0.21 C Shift Assignments>> C :: 174.5000 CA :: 57.2000 CB :: 39.2000 CE1 :: 131.2400 CE2 :: 131.2400 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 :: 8.8200 HA :: 4.7100 HB2 :: 2.8820 HB3 :: 2.8820 HE1 :: 6.6080 HE2 :: 6.6080 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 :: 124.9000 Ave N Shift Values>> N :: 120.45(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.1000 CA :: 63.9000 CB :: 39.7000 CG1 :: 28.4400 CG2 :: 16.6300 CD1 :: 14.0650 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 :: 9.1700 HA :: 3.2600 HB :: 1.4040 HG12 :: 1.1000 HG13 :: 0.5380 HG21 :: 0.7350 HG22 :: 0.7350 HG23 :: 0.7350 HD11 :: 0.4930 HD12 :: 0.4930 HD13 :: 0.4930 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 :: 119.9000 Ave N Shift Values>> N :: 121.46(4.28) 1.H66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.37 H 0.34 C 0.28 C Shift Assignments>> C :: 172.6000 CA :: 52.6000 CB :: 27.3000 CD2 :: 123.2600 CE1 :: 139.2400 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 :: 8.7400 HA :: 4.3200 HB2 :: 1.0380(S) HB3 :: 2.5630 HD2 :: 6.4750 HE1 :: 7.9640 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 :: 129.5000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 L 0.02 C Shift Assignments>> C :: 176.1000 CA :: 51.9000 CB :: 20.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8900 HA :: 4.4400 HB1 :: 1.3180 HB2 :: 1.3180 HB3 :: 1.3180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4000 Ave N Shift Values>> N :: 123.23(3.54) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.4000 CA :: 59.6000 CB :: 69.8000 CG2 :: 21.3660 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 :: 8.2300 HA :: 4.6800 HB :: 4.2570 HG21 :: 1.3540 HG22 :: 1.3540 HG23 :: 1.3540 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 :: 116.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.P69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. 3.U1 Overall Status: Residue type U not supported. 3.U2 Overall Status: Residue type U not supported. 3.A3 Overall Status: Residue type A not supported. 3.U4 Overall Status: Residue type U not supported. 3.U5 Overall Status: Residue type U not supported. 3.U6 Overall Status: Residue type U not supported. 3.A7 Overall Status: Residue type A not supported. 3.U8 Overall Status: Residue type U not supported. 3.U9 Overall Status: Residue type U not supported. ########################################################################### Overall Results: #Consistent: 58 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 1 C Shift Results: #Consistent: 287 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 408 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 60 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.K5 HB2 = 0.8480(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.9301e-04 1.K5 HG2 = -0.3110(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0104e-10 1.K5 HG3 = -0.5570(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.7115e-12 1.R10 H = 11.1700(S), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5609e-06 1.R10 N = 134.2000(S), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7126e-04 1.W12 SRO Rule Break>> HA > HB3 : 0.996420047732697 1.G16 HA2 = 2.4710(S), Expected = 3.97, Std = 0.3700, ChiSquare = 5.0923e-05 1.H28 H = 10.6600(S), Expected = 8.24, Std = 0.6800, ChiSquare = 3.7252e-04 1.R38 HD2 = 2.1450(S), Expected = 3.12, Std = 0.2400, ChiSquare = 4.8550e-05 1.R38 HD3 = 1.6690(S), Expected = 3.10, Std = 0.2600, ChiSquare = 3.7159e-08 1.K41 H = 11.4100(S), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0205e-08 1.K43 HG2 = 0.0002(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.3757e-07 1.K43 HG3 = -0.5220(S), Expected = 1.35, Std = 0.2800, ChiSquare = 2.2980e-11 1.R48 H = 11.2800(S), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2410e-07 1.R48 N = 135.5000(S), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4813e-05 1.R63 HB2 = 0.8410(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.4006e-04 1.H66 HB2 = 1.0380(S), Expected = 3.10, Std = 0.3600, ChiSquare = 1.0175e-08