Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 176.0054 CA :: 56.3903 CB :: 33.2152 CG :: 24.7416 CD :: 28.9926 CE :: 42.1184 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>> HA :: 4.3300 HB2 :: 1.8099 HB3 :: 1.7200 HG2 :: 1.4200 HD2 :: 1.6536 HE2 :: 2.9711 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) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.5269 CA :: 52.4511 CB :: 19.1973 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3850 HA :: 4.2798 HB1 :: 1.3539 HB2 :: 1.3539 HB3 :: 1.3539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9284 Ave N Shift Values>> N :: 123.23(3.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.27 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 176.9560 CA :: 55.0279 CB :: 42.3000 CG :: 27.1559 CD1 :: 24.9000 CD2 :: 23.8813 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 :: 8.1800 HA :: 4.2900 HB2 :: 1.5427 HB3 :: 1.5958 HG :: 1.6200 HD11 :: 0.8894 HD12 :: 0.8894 HD13 :: 0.8894 HD21 :: 0.8394 HD22 :: 0.8394 HD23 :: 0.8394 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 :: 121.3500 Ave N Shift Values>> N :: 121.86(3.9) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 N 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.V135 1.V135 C Shift Assignments>> C :: 175.6700 CA :: 54.0385 CB :: 41.2612 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 :: 8.1937 HA :: 4.5645 HB2 :: 2.6400 HB3 :: 2.5000 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 :: 121.1142 Ave N Shift Values>> N :: 120.65(3.86) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.1 K 0.07 Q 0.07 C Shift Assignments>> C :: 174.1384 CA :: 54.1045 CB :: 29.9800 CG :: 36.2309 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 :: 8.1380 HA :: 4.4700 HB2 :: 1.7774 HB3 :: 1.8119 HG2 :: 2.2600 HG3 :: 2.1668 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 :: 121.6224 Ave N Shift Values>> N :: 120.67(3.48) 1.P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.17 R 0.01 C Shift Assignments>> C :: 173.6589 CA :: 64.2221 CB :: 31.6087 CG :: 27.3140 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 :: 4.3743 HB2 :: 1.9070 HB3 :: 2.2200 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.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 173.0831 CA :: 55.4412 CB :: 39.1077 CD1 :: 133.4000 CE1 :: 117.8180 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 :: 6.5405 HA :: 4.6339 HB2 :: 3.0918 HB3 :: 2.7965 HD1 :: 6.7400 HE1 :: 6.6300 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 :: 108.4188 Ave N Shift Values>> N :: 120.52(4.2) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.14 A 0.11 G 0.09 R 0.08 HN Overlap>> 1.F24 1.F24 1.D53 1.D53 C Shift Assignments>> C :: 176.1013 CA :: 52.5561 CB :: 43.1829 CG :: 27.2438 CD1 :: 25.8963 CD2 :: 22.6904 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 :: 8.6760 HA :: 4.7443 HB2 :: 0.9482 HB3 :: 1.3580 HG :: 1.2452 HD11 :: 0.2489 HD12 :: 0.2489 HD13 :: 0.2489 HD21 :: 0.6300 HD22 :: 0.6300 HD23 :: 0.6300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0026 Ave N Shift Values>> N :: 121.86(3.9) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.26 C Shift Assignments>> C :: 176.8578 CA :: 59.5680 CB :: 71.1000 CG2 :: 22.1147 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 :: 7.5090 HA :: 4.6642 HB :: 4.3150 HG21 :: 1.1750 HG22 :: 1.1750 HG23 :: 1.1750 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 :: 108.0472 Ave N Shift Values>> N :: 115.42(4.75) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 176.3828 CA :: 65.3669 CB :: 31.6533 CG1 :: 21.3180 CG2 :: 22.7279 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 :: 8.7050 HA :: 3.3506 HB :: 1.9884 HG11 :: 0.9784 HG12 :: 0.9784 HG13 :: 0.9784 HG21 :: 1.0518 HG22 :: 1.0518 HG23 :: 1.0518 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 :: 122.8604 Ave N Shift Values>> N :: 121.14(4.54) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.9442 CA :: 44.5577 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0325 HA2 :: 3.5398 HA3 :: 4.4489 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.8243 Ave N Shift Values>> N :: 109.67(3.87) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.1565 CA :: 64.6779 CB :: 69.3330 CG2 :: 21.6047 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 :: 7.4816 HA :: 4.0000 HB :: 3.9064 HG21 :: 1.1768 HG22 :: 1.1768 HG23 :: 1.1768 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 :: 117.1717 Ave N Shift Values>> N :: 115.42(4.75) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 174.9896 CA :: 54.9498 CB :: 41.7680 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 :: 8.5096 HA :: 5.1100 HB2 :: 2.5425 HB3 :: 2.7430 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.0384 Ave N Shift Values>> N :: 120.65(3.86) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.02 I 0.02 A 0.01 C Shift Assignments>> C :: 174.4156 CA :: 58.9821 CB :: 36.3245 CG1 :: 18.3400 CG2 :: 22.6384 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 :: 8.7033 HA :: 4.9600 HB :: 2.0807 HG11 :: 0.4178 HG12 :: 0.4178 HG13 :: 0.4178 HG21 :: 0.6272 HG22 :: 0.6272 HG23 :: 0.6272 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 :: 115.4279 Ave N Shift Values>> N :: 121.14(4.54) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.2766 CA :: 57.5350 CB :: 65.0777 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7678 HA :: 5.2911 HB2 :: 3.5950 HB3 :: 3.5500 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 :: 114.8100 Ave N Shift Values>> N :: 116.28(3.52) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.36 C 0.15 K 0.01 C Shift Assignments>> C :: 175.7877 CA :: 50.4938 CB :: 22.7206 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1940 HA :: 5.1232 HB1 :: 1.2744 HB2 :: 1.2744 HB3 :: 1.2744 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5687 Ave N Shift Values>> N :: 123.23(3.54) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> C :: 175.5860 CA :: 56.5821 CB :: 31.9473 CG :: 24.9500 CD :: 28.9500 CE :: 41.6872 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 :: 8.7379 HA :: 4.0550 HB2 :: 1.2250 HB3 :: 1.5401 HG2 :: 0.7160 HG3 :: 0.8313 HD2 :: 1.2923 HD3 :: 1.2923 HE2 :: 2.6060 HE3 :: 2.5580 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 :: 123.2184 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 174.2764 CA :: 57.2564 CB :: 40.3608 CD1 :: 132.3355 CE1 :: 117.7532 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8391 HA :: 4.4900 HB2 :: 2.5060 HB3 :: 2.5060 HD1 :: 6.6500 HE1 :: 6.6500 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 :: 127.3398 Ave N Shift Values>> N :: 120.52(4.2) 1.R21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 L 0.27 R 0.24 G 0.11 K 0.02 C Shift Assignments>> C :: 176.3893 CA :: 56.9947 CB :: 27.4475 CG :: 26.9000 CD :: 43.6958 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 :: 8.7900 HA :: 3.5400 HB2 :: 1.4156 HB3 :: 1.6430 HG2 :: 0.3800(S) HG3 :: 0.9523 HD2 :: 2.8200 HD3 :: 2.7940 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 :: 125.1201 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.G22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.1363 CA :: 45.4772 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3200 HA2 :: 3.4474 HA3 :: 4.0615 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 130.9306(S) Ave N Shift Values>> N :: 109.67(3.87) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.16 C 0.09 C Shift Assignments>> C :: 175.8179 CA :: 50.4081 CB :: 21.9636 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5769 HA :: 4.6500 HB1 :: 1.3561 HB2 :: 1.3561 HB3 :: 1.3561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2836 Ave N Shift Values>> N :: 123.23(3.54) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.37 C 0.2 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 176.3847 CA :: 59.4566 CB :: 39.4713 CD1 :: 131.5000 CE1 :: 131.1000 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 :: 8.6821 HA :: 4.7061 HB2 :: 2.8200 HB3 :: 2.8700 HD1 :: 7.0500 HE1 :: 7.2350 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 :: 120.0917 Ave N Shift Values>> N :: 120.45(4.18) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 W 0.12 K 0.12 H 0.11 M 0.11 E 0.11 Q 0.06 V 0.03 C Shift Assignments>> C :: 173.4455 CA :: 57.7804 CB :: 31.5478 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1384 HA :: 4.9082 HB2 :: 2.9500 HB3 :: 3.1450 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 :: 123.0270 Ave N Shift Values>> N :: 120.17(4.64) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.4 M 0.06 I 0.06 K 0.03 Q 0.01 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 175.6278 CA :: 57.3653 CB :: 30.2761 CG :: 36.9056 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 :: 8.7671 HA :: 4.6244 HB2 :: 2.0540 HB3 :: 2.1120 HG2 :: 2.3386 HG3 :: 2.4090 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.8965 Ave N Shift Values>> N :: 120.67(3.48) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 A 0.22 C 0.18 K 0.05 P 0.01 C Shift Assignments>> C :: 175.4835 CA :: 50.7687 CB :: 23.3385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9313 HA :: 4.7848 HB1 :: 0.5825 HB2 :: 0.5825 HB3 :: 0.5825 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1917 Ave N Shift Values>> N :: 123.23(3.54) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.35 R 0.1 G 0.01 C Shift Assignments>> C :: 177.1386 CA :: 54.2500 CB :: 36.6500 CG :: 24.6437 CD :: 29.2366 CE :: 41.9456 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 :: 7.7166 HA :: 5.1592 HB2 :: 1.4309 HB3 :: 1.5400 HG2 :: 1.3047 HG3 :: 1.3047 HD2 :: 1.6018 HD3 :: 1.6018 HE2 :: 2.9370 HE3 :: 2.9370 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 :: 117.7212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 HN Overlap>> 1.K138 1.K138 C Shift Assignments>> C :: 175.4134 CA :: 63.0139 CB :: 37.2172 CG1 :: 27.6408 CG2 :: 18.4000 CD1 :: 13.5263 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 :: 8.1792 HA :: 3.9490 HB :: 1.9906 HG12 :: 0.8191 HG13 :: 1.5538 HG21 :: 0.8750 HG22 :: 0.8750 HG23 :: 0.8750 HD11 :: 0.3980 HD12 :: 0.3980 HD13 :: 0.3980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.9038 Ave N Shift Values>> N :: 121.46(4.28) 1.K30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.47 K 0.45 R 0.07 C Shift Assignments>> C :: 175.3549 CA :: 57.7726 CB :: 34.9626 CG :: 24.8546 CD :: 29.4178 CE :: 41.7951 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 :: 9.5910 HA :: 4.4360 HB2 :: 1.5350 HB3 :: 1.7360 HG2 :: 1.2856 HG3 :: 1.2856 HE2 :: 2.8304 HE3 :: 2.8304 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 :: 107.0052(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 171.6926 CA :: 61.2000 CB :: 71.4249 CG2 :: 22.1000 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 :: 7.7715 HA :: 4.5261 HB :: 3.9824 HG21 :: 1.1742 HG22 :: 1.1742 HG23 :: 1.1742 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.9041 Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.25 C 0.09 C Shift Assignments>> C :: 175.1302 CA :: 51.2568 CB :: 22.0646 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8300 HA :: 5.0107 HB1 :: 1.3540 HB2 :: 1.3540 HB3 :: 1.3540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.9557 Ave N Shift Values>> N :: 123.23(3.54) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.32 R 0.13 G 0.01 C Shift Assignments>> C :: 175.1766 CA :: 54.7375 CB :: 32.1294 CG :: 24.5981 CD :: 29.2529 CE :: 42.1904 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 :: 8.5415 HA :: 4.5450 HB2 :: 1.7040 HB3 :: 1.9150 HG2 :: 1.3200 HG3 :: 1.3200 HD2 :: 1.5641 HD3 :: 1.5641 HE2 :: 2.8654 HE3 :: 2.8654 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 :: 125.9708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.09 G 0.05 C Shift Assignments>> C :: 176.4487 CA :: 56.8000 CB :: 31.2938 CG :: 26.6554 CD :: 43.2427 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 :: 8.2530 HA :: 4.1200 HB2 :: 1.5400 HB3 :: 1.5400 HG2 :: 1.0300 HG3 :: 1.0658 HD2 :: 2.3060(S) HD3 :: 2.2400(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 :: 127.0526 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.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.35 R 0.16 G 0.06 C Shift Assignments>> C :: 173.1649 CA :: 56.6197 CB :: 43.2890 CG :: 28.2303 CD1 :: 25.1678 CD2 :: 24.1105 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 :: 8.4240 HA :: 4.3350 HB2 :: 1.4803 HB3 :: 1.4803 HG :: 1.3514 HD11 :: 0.8336 HD12 :: 0.8336 HD13 :: 0.8336 HD21 :: 0.9210 HD22 :: 0.9210 HD23 :: 0.9210 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 :: 131.3258 Ave N Shift Values>> N :: 121.86(3.9) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.Y20 1.Y20 C Shift Assignments>> C :: 174.9783 CA :: 60.8616 CB :: 34.0005 CG1 :: 21.8182 CG2 :: 21.8182 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 :: 8.9352 HA :: 4.7267 HB :: 1.8850 HG11 :: 0.8544 HG12 :: 0.8544 HG13 :: 0.8544 HG21 :: 0.8544 HG22 :: 0.8544 HG23 :: 0.8544 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 :: 127.3979 Ave N Shift Values>> N :: 121.14(4.54) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.36 R 0.04 C Shift Assignments>> C :: 176.2221 CA :: 54.7696 CB :: 33.4213 CG :: 24.7716 CD :: 28.9506 CE :: 41.4524 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 :: 8.9147 HA :: 4.6317 HB2 :: 1.5540 HB3 :: 1.6700 HG2 :: 1.2769 HG3 :: 1.3787 HE2 :: 2.7739 HE3 :: 2.7739 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 :: 125.0803 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.5784 CA :: 61.0894 CB :: 33.1254 CG1 :: 20.5434 CG2 :: 23.1000 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 :: 9.5053 HA :: 4.6100 HB :: 1.9500 HG11 :: 0.7220 HG12 :: 0.7220 HG13 :: 0.7220 HG21 :: 0.7480 HG22 :: 0.7480 HG23 :: 0.7480 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 :: 127.1504 Ave N Shift Values>> N :: 121.14(4.54) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.1 C Shift Assignments>> C :: 175.9442 CA :: 55.7738 CB :: 34.1374 CG :: 25.3349 CD :: 29.5749 CE :: 41.6000 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 :: 8.8313 HA :: 5.0300 HB2 :: 1.7200 HB3 :: 1.7600 HG2 :: 1.1851 HG3 :: 1.2867 HD2 :: 1.2560 HD3 :: 1.2560 HE2 :: 2.4563 HE3 :: 2.3714 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 :: 129.3629 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.04 A 0.03 C Shift Assignments>> C :: 174.7152 CA :: 58.2366 CB :: 34.6404 CG1 :: 18.1488 CG2 :: 22.0103 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 :: 9.0495 HA :: 5.3852 HB :: 1.5034 HG11 :: 0.2560 HG12 :: 0.2560 HG13 :: 0.2560 HG21 :: 0.5389 HG22 :: 0.5389 HG23 :: 0.5389 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.5179 Ave N Shift Values>> N :: 121.14(4.54) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 176.3786 CA :: 61.0227 CB :: 70.6003 CG2 :: 20.4616 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 :: 8.4069 HA :: 5.2282 HB :: 3.8231 HG21 :: 1.0070 HG22 :: 1.0070 HG23 :: 1.0070 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 :: 115.8381 Ave N Shift Values>> N :: 115.42(4.75) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.39 C 0.19 C Shift Assignments>> C :: 177.3174 CA :: 59.9644 CB :: 39.6392 CD1 :: 131.4000 CE1 :: 131.8000 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 :: 9.5059 HA :: 4.5330 HB2 :: 3.3993 HB3 :: 3.1134 HD1 :: 7.4450 HE1 :: 7.2504 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 :: 128.6617 Ave N Shift Values>> N :: 120.45(4.18) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 G 0.07 K 0.03 C Shift Assignments>> C :: 178.8756 CA :: 58.5882 CB :: 30.3000 CG :: 27.3093 CD :: 43.4525 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 :: 8.3668 HA :: 4.1800 HB2 :: 1.8538 HB3 :: 1.9881 HG2 :: 1.6835 HG3 :: 1.6485 HD2 :: 3.2110 HD3 :: 3.2110 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4028 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.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.13 K 0.1 H 0.1 R 0.1 Q 0.1 I 0.06 M 0.02 V 0.01 C Shift Assignments>> C :: 176.6573 CA :: 58.9432 CB :: 29.5666 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 :: 9.0920 HA :: 4.4658 HB2 :: 3.2087 HB3 :: 3.1200 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.1456 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.06 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 176.4636 CA :: 52.3980 CB :: 41.2901 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 :: 6.4500 HA :: 4.6598 HB2 :: 2.2488 HB3 :: 2.8741 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 :: 115.9840 Ave N Shift Values>> N :: 120.65(3.86) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.0784 CA :: 59.9292 CB :: 62.3300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6397 HA :: 4.2380 HB2 :: 4.0450 HB3 :: 4.0450 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 :: 111.4290 Ave N Shift Values>> N :: 116.28(3.52) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G58 1.G58 C Shift Assignments>> C :: 173.5172 CA :: 58.3413 CB :: 64.3466 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1763 HA :: 4.4120 HB2 :: 3.8396 HB3 :: 3.9650 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 :: 116.2962 Ave N Shift Values>> N :: 116.28(3.52) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.5909 CA :: 60.3164 CB :: 71.0879 CG2 :: 21.1066 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 :: 8.4181 HA :: 5.8023 HB :: 3.8974 HG21 :: 1.1391 HG22 :: 1.1391 HG23 :: 1.1391 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 :: 116.0000 Ave N Shift Values>> N :: 115.42(4.75) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.22 HN Overlap>> 1.N141 1.N141 C Shift Assignments>> C :: 172.8298 CA :: 59.8406 CB :: 36.5482 CG1 :: 20.6000 CG2 :: 21.5570 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 :: 8.5073 HA :: 4.6013 HB :: 2.1634 HG11 :: 0.8920 HG12 :: 0.8920 HG13 :: 0.8920 HG21 :: 0.9785 HG22 :: 0.9785 HG23 :: 0.9785 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4477 Ave N Shift Values>> N :: 121.14(4.54) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 M 0.13 E 0.1 C Shift Assignments>> C :: 175.8893 CA :: 55.0777 CB :: 32.4608 CG :: 38.2873 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 :: 8.2819 HA :: 5.3670 HB2 :: 1.9340 HB3 :: 1.7650 HG2 :: 1.8620 HG3 :: 1.9340 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 :: 122.4904 Ave N Shift Values>> N :: 120.67(3.48) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.1 A 0.01 C Shift Assignments>> C :: 174.6657 CA :: 58.8273 CB :: 35.5000 CG1 :: 18.9045 CG2 :: 21.7899 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 :: 8.9957 HA :: 4.7247 HB :: 2.1933 HG11 :: 0.7512 HG12 :: 0.7512 HG13 :: 0.7512 HG21 :: 0.8540 HG22 :: 0.8540 HG23 :: 0.8540 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.7660 Ave N Shift Values>> N :: 121.14(4.54) 1.Q52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> Q 0.24 C 0.23 E 0.22 K 0.15 M 0.12 C Shift Assignments>> C :: 177.8181 CA :: 55.5174 CB :: 30.0157 CG :: 34.9220 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 :: 8.3586 HA :: 5.0040 HB2 :: 2.2568 HB3 :: 2.0650 HG2 :: 2.2448 HG3 :: 2.4279 HE21 :: 7.9700 HE22 :: 6.7900 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 :: 119.2943 NE2 :: 85.9733(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.12 C 0.11 D 0.09 K 0.08 I 0.06 N 0.01 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 176.5829 CA :: 57.7314 CB :: 40.6584 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 :: 8.6650 HA :: 4.0330 HB2 :: 2.6136 HB3 :: 2.7370 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 :: 119.9185 Ave N Shift Values>> N :: 120.65(3.86) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.17 F 0.16 D 0.16 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 177.2658 CA :: 55.1833 CB :: 38.8899 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 :: 8.2327 HA :: 4.5491 HB2 :: 2.7370 HB3 :: 2.8180 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.7982 Ave N Shift Values>> N :: 120.65(3.86) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.13 E 0.13 W 0.13 C 0.11 K 0.1 M 0.05 C Shift Assignments>> C :: 173.1885 CA :: 56.0523 CB :: 29.8000 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 :: 8.3813 HA :: 4.6250 HB2 :: 3.2912 HB3 :: 3.7000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.3570 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.4156 CA :: 59.3797 CB :: 38.5023 CG1 :: 27.4905 CG2 :: 17.5500 CD1 :: 12.8232 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6495 HA :: 4.8227 HB :: 2.1476 HG12 :: 1.2810 HG13 :: 1.3824 HG21 :: 0.6624 HG22 :: 0.6624 HG23 :: 0.6624 HD11 :: 0.5640 HD12 :: 0.5640 HD13 :: 0.5640 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 :: 118.5963 Ave N Shift Values>> N :: 121.46(4.28) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 175.1499 CA :: 55.7039 CB :: 33.8256 CG :: 24.5256 CD :: 29.1978 CE :: 41.4980 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 :: 9.3080 HA :: 4.7080 HB2 :: 1.5528 HB3 :: 1.7000 HG2 :: 1.1658 HG3 :: 1.1882 HD2 :: 1.2588 HD3 :: 1.2588 HE2 :: 2.4542 HE3 :: 2.3708 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 :: 128.5872 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 HN Overlap>> 1.S47 1.S47 C Shift Assignments>> CA :: 43.6192 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2800 HA2 :: 3.8480 HA3 :: 3.8242 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.2863 Ave N Shift Values>> N :: 109.67(3.87) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 175.3405 CA :: 62.3000 CB :: 32.2653 CG :: 27.0475 CD :: 49.4184 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 :: 4.2700 HB2 :: 1.6136 HB3 :: 2.1268 HG2 :: 1.9633 HG3 :: 2.0325 HD2 :: 3.5400 HD3 :: 3.5700 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.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.24 A 0.04 C Shift Assignments>> C :: 174.9805 CA :: 52.1800 CB :: 39.9029 CG :: 25.9696 CD1 :: 24.1055 CD2 :: 25.9352 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 :: 7.9920 HA :: 4.2260 HB2 :: 1.3350 HB3 :: 1.7880 HG :: 1.7678 HD11 :: 0.8016 HD12 :: 0.8016 HD13 :: 0.8016 HD21 :: 0.9486 HD22 :: 0.9486 HD23 :: 0.9486 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6816 Ave N Shift Values>> N :: 121.86(3.9) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.08 G 0.01 C Shift Assignments>> C :: 174.9109 CA :: 54.3445 CB :: 35.8928 CG :: 24.4861 CD :: 29.2952 CE :: 42.1705 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 :: 7.1357 HA :: 4.3950 HB2 :: 1.5055 HB3 :: 1.5055 HG2 :: 1.2747 HG3 :: 1.2747 HD2 :: 1.5997 HD3 :: 1.5997 HE2 :: 2.9230 HE3 :: 2.9230 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 :: 123.6209 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 177.3191 CA :: 65.9273 CB :: 30.9700 CG1 :: 21.5309 CG2 :: 23.1849 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 :: 8.8280 HA :: 3.2170 HB :: 1.8800 HG11 :: 0.8800 HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 0.9298 HG22 :: 0.9298 HG23 :: 0.9298 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 :: 125.4447 Ave N Shift Values>> N :: 121.14(4.54) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.5036 CA :: 44.7805 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0333 HA2 :: 3.5028 HA3 :: 4.3050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.4779 Ave N Shift Values>> N :: 109.67(3.87) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.04 C 0.03 M 0.03 C Shift Assignments>> C :: 176.1339 CA :: 52.3565 CB :: 20.4729 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8739 HA :: 4.2768 HB1 :: 1.3950 HB2 :: 1.3950 HB3 :: 1.3950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0046 Ave N Shift Values>> N :: 123.23(3.54) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.4762 CA :: 60.8000 CB :: 37.2000 CG1 :: 28.2500 CG2 :: 17.8693 CD1 :: 12.6936 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9630 HA :: 4.7228 HB :: 1.7880 HG12 :: 1.6383 HG13 :: 1.1132 HG21 :: 0.8863 HG22 :: 0.8863 HG23 :: 0.8863 HD11 :: 0.8510 HD12 :: 0.8510 HD13 :: 0.8510 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.6896 Ave N Shift Values>> N :: 121.46(4.28) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 V 0.01 C Shift Assignments>> C :: 174.1327 CA :: 59.0190 CB :: 35.2000 CG1 :: 17.3965 CG2 :: 21.9500 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 :: 9.0829 HA :: 4.9206 HB :: 2.1550 HG11 :: 0.4969 HG12 :: 0.4969 HG13 :: 0.4969 HG21 :: 0.8485 HG22 :: 0.8485 HG23 :: 0.8485 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.9519 Ave N Shift Values>> N :: 121.14(4.54) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.22 E 0.16 C Shift Assignments>> C :: 175.4019 CA :: 55.2000 CB :: 33.1000 CG :: 37.0500 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 :: 8.2556 HA :: 4.9827 HB2 :: 1.9000 HB3 :: 1.9800 HG2 :: 2.0031 HG3 :: 2.3029 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 :: 117.2191 Ave N Shift Values>> N :: 120.67(3.48) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 175.5219 CA :: 60.6810 CB :: 34.7487 CG1 :: 21.9000 CG2 :: 23.2948 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 :: 9.2150 HA :: 4.9515 HB :: 2.1520 HG11 :: 0.9800 HG12 :: 0.9800 HG13 :: 0.9800 HG21 :: 0.7459 HG22 :: 0.7459 HG23 :: 0.7459 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 :: 122.8909 Ave N Shift Values>> N :: 121.14(4.54) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.08 C Shift Assignments>> C :: 175.2814 CA :: 56.5600 CB :: 32.7297 CG :: 24.4587 CD :: 29.2500 CE :: 41.7999 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 :: 8.8548 HA :: 3.7183 HB2 :: 1.1250 HB3 :: 1.4050 HG2 :: 1.0970 HG3 :: 0.5519 HD2 :: 1.2910 HD3 :: 1.2910 HE2 :: 2.6100 HE3 :: 2.6100 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 :: 130.1442 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.6 D 0.19 C 0.07 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 177.2988 CA :: 51.1933 CB :: 39.2973 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 :: 8.7003 HA :: 4.8140 HB2 :: 2.9365 HB3 :: 3.1091 HD21 :: 6.8670 HD22 :: 7.1820 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 :: 126.0461 ND2 :: 83.7000(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 R 0.01 C Shift Assignments>> C :: 177.7378 CA :: 57.6653 CB :: 41.4967 CG :: 27.0595 CD1 :: 24.7000 CD2 :: 23.6245 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 :: 8.2693 HA :: 4.0601 HB2 :: 1.5560 HB3 :: 1.6811 HG :: 1.7000 HD11 :: 0.9205 HD12 :: 0.9205 HD13 :: 0.9205 HD21 :: 0.8820 HD22 :: 0.8820 HD23 :: 0.8820 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2930 Ave N Shift Values>> N :: 121.86(3.9) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.09 Y 0.07 K 0.07 C 0.06 C Shift Assignments>> C :: 176.7101 CA :: 54.1316 CB :: 40.8671 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 :: 7.7779 HA :: 4.5525 HB2 :: 2.6531 HB3 :: 2.6900 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 :: 116.6717 Ave N Shift Values>> N :: 120.65(3.86) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 172.8092 CA :: 45.1999 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0001 HA2 :: 3.3300 HA3 :: 4.1941 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9090 Ave N Shift Values>> N :: 109.67(3.87) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 176.3050 CA :: 50.7099 CB :: 20.0731 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6664 HA :: 4.4796 HB1 :: 1.3050 HB2 :: 1.3050 HB3 :: 1.3050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7487 Ave N Shift Values>> N :: 123.23(3.54) 1.Y75 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 :: 177.0475 CA :: 58.7057 CB :: 40.1941 CD1 :: 132.8671 CE1 :: 118.1835 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5390 HA :: 4.9582 HB2 :: 2.8000 HB3 :: 2.7650 HD1 :: 6.9420 HE1 :: 6.7080 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1196 Ave N Shift Values>> N :: 120.52(4.2) 1.Q76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.54 M 0.37 Q 0.04 E 0.03 C Shift Assignments>> C :: 175.7154 CA :: 54.4232 CB :: 33.9000 CG :: 34.5000 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 :: 8.8225 HA :: 4.9129 HB2 :: 2.0660 HB3 :: 2.3100 HG2 :: 2.2200 HG3 :: 2.2200 HE21 :: 7.0370 HE22 :: 6.1306 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 :: 120.3330 NE2 :: 83.3535(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.24 M 0.1 I 0.02 C Shift Assignments>> C :: 177.1997 CA :: 57.5254 CB :: 31.7424 CG :: 37.7961 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 :: 8.7900 HA :: 4.9710 HB2 :: 1.9200 HB3 :: 2.1800 HG2 :: 2.1600 HG3 :: 2.4816 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 :: 122.6495 Ave N Shift Values>> N :: 120.67(3.48) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.18 K 0.12 P 0.11 A 0.04 R 0.01 C Shift Assignments>> C :: 173.4774 CA :: 51.1189 CB :: 24.3474 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.5450 HA :: 4.9175 HB1 :: 0.7730 HB2 :: 0.7730 HB3 :: 0.7730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.8664 Ave N Shift Values>> N :: 123.23(3.54) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 176.2236 CA :: 59.4859 CB :: 34.8898 CG1 :: 20.4500 CG2 :: 21.7263 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 :: 8.1470 HA :: 5.0990 HB :: 1.7520 HG11 :: 0.7857 HG12 :: 0.7857 HG13 :: 0.7857 HG21 :: 0.8446 HG22 :: 0.8446 HG23 :: 0.8446 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 :: 117.7463 Ave N Shift Values>> N :: 121.14(4.54) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.7349 CA :: 63.4102 CB :: 37.3691 CG1 :: 28.0500 CG2 :: 18.0501 CD1 :: 15.1240 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 :: 8.0777 HA :: 4.0080 HB :: 2.1764 HG12 :: 0.6108 HG13 :: 1.8256 HG21 :: 0.6740 HG22 :: 0.6740 HG23 :: 0.6740 HD11 :: 0.9970 HD12 :: 0.9970 HD13 :: 0.9970 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 :: 123.4609 Ave N Shift Values>> N :: 121.46(4.28) 1.N81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> L 0.27 D 0.21 K 0.18 R 0.09 F 0.08 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 174.2903 CA :: 54.9282 CB :: 42.0754 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 :: 9.7820 HA :: 4.8800 HB2 :: 2.1030 HB3 :: 2.9230 HD21 :: 7.2042 HD22 :: 6.5457 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 :: 127.3313 ND2 :: 80.1300(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.16 I 0.09 E 0.04 L 0.02 C Shift Assignments>> C :: 172.8785 CA :: 56.7995 CB :: 36.6771 CG :: 25.2983 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 :: 7.6910 HA :: 4.3450 HB2 :: 1.6529 HB3 :: 1.7590 HG2 :: 1.4350 HG3 :: 1.4109 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 :: 118.3179 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.22 L 0.16 R 0.04 C Shift Assignments>> C :: 175.7223 CA :: 53.9865 CB :: 44.9071 CG :: 26.5800 CD1 :: 27.2000 CD2 :: 26.5000 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 :: 8.6550 HA :: 4.9800 HB2 :: 1.7015 HB3 :: 1.2624 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 HD21 :: 0.7804 HD22 :: 0.7804 HD23 :: 0.7804 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 :: 125.4240 Ave N Shift Values>> N :: 121.86(3.9) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.9670 CA :: 61.9633 CB :: 71.0178 CG2 :: 21.0400 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 :: 8.8050 HA :: 4.4600 HB :: 3.9100 HG21 :: 1.1385 HG22 :: 1.1385 HG23 :: 1.1385 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 :: 118.8374 Ave N Shift Values>> N :: 115.42(4.75) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.21 F 0.15 Y 0.15 L 0.11 C 0.1 I 0.01 C Shift Assignments>> C :: 175.8384 CA :: 54.9826 CB :: 39.5989 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 :: 9.1647 HA :: 4.8400 HB2 :: 3.0670 HB3 :: 3.0100 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 :: 126.6537 Ave N Shift Values>> N :: 120.65(3.86) 1.A86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> C :: 176.4040 CA :: 50.7215 CB :: 18.6986 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0887 HA :: 4.6352 HB1 :: 1.2270 HB2 :: 1.2270 HB3 :: 1.2270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 108.7556(S) Ave N Shift Values>> N :: 123.23(3.54) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7125 CA :: 59.6643 CB :: 63.3925 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2556 HA :: 4.4500 HB2 :: 3.0812 HB3 :: 3.5430 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 :: 115.9398 Ave N Shift Values>> N :: 116.28(3.52) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 175.4146 CA :: 56.4361 CB :: 31.9500 CD1 :: 127.0056 CZ2 :: 114.7225 CZ3 :: 122.1500 CH2 :: 124.6344 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 :: 7.7913 HA :: 4.6795 HB2 :: 2.8694 HB3 :: 2.8551 HD1 :: 7.1700 HE1 :: 10.0489 HZ2 :: 7.4580 HZ3 :: 7.0490 HH2 :: 7.1930 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 :: 119.8906 NE1 :: 129.3684 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 HN Overlap>> 1.V91 1.V91 C Shift Assignments>> C :: 175.1337 CA :: 57.3000 CB :: 40.7725 CD1 :: 133.0982 CE1 :: 117.6000 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 :: 9.3100 HA :: 5.1600 HB2 :: 2.7300 HB3 :: 2.6300 HD1 :: 6.8300 HE1 :: 6.8200 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.2033 Ave N Shift Values>> N :: 120.52(4.2) 1.T90 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 :: 174.2632 CA :: 62.6089 CB :: 68.7691 CG2 :: 21.7557 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 :: 9.2290 HA :: 5.2655 HB :: 4.0725 HG21 :: 1.0800 HG22 :: 1.0800 HG23 :: 1.0800 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 :: 121.7687 Ave N Shift Values>> N :: 115.42(4.75) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.21 A 0.03 HN Overlap>> 1.Y89 1.Y89 C Shift Assignments>> C :: 172.7618 CA :: 58.0378 CB :: 33.5000 CG1 :: 19.5000 CG2 :: 22.0554 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 :: 9.3162 HA :: 5.0500 HB :: 1.5010 HG11 :: 0.3438 HG12 :: 0.3438 HG13 :: 0.3438 HG21 :: 0.5142 HG22 :: 0.5142 HG23 :: 0.5142 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 :: 123.2957 Ave N Shift Values>> N :: 121.14(4.54) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 176.0116 CA :: 59.3751 CB :: 34.6948 CG1 :: 20.2000 CG2 :: 21.7559 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 :: 8.3979 HA :: 4.9357 HB :: 1.7504 HG11 :: 0.9700 HG12 :: 0.9700 HG13 :: 0.9700 HG21 :: 0.9857 HG22 :: 0.9857 HG23 :: 0.9857 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1446 Ave N Shift Values>> N :: 121.14(4.54) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.4 C 0.17 C Shift Assignments>> C :: 177.6353 CA :: 57.7802 CB :: 40.3870 CD1 :: 132.0000 CE1 :: 130.2547 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 :: 8.6968 HA :: 4.7690 HB2 :: 2.8802 HB3 :: 3.3441 HD1 :: 7.0180 HE1 :: 6.7450 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 :: 127.6445 Ave N Shift Values>> N :: 120.45(4.18) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.11 K 0.07 I 0.05 N 0.01 C Shift Assignments>> C :: 176.6540 CA :: 57.4564 CB :: 40.5958 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 :: 9.1411 HA :: 4.3520 HB2 :: 2.8152 HB3 :: 2.7440 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 :: 121.5336 Ave N Shift Values>> N :: 120.65(3.86) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.3 L 0.13 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 177.4304 CA :: 53.4773 CB :: 40.1000 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 :: 7.9922 HA :: 4.5400 HB2 :: 2.6895 HB3 :: 3.0400 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 :: 116.0825 Ave N Shift Values>> N :: 120.65(3.86) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.3209 CA :: 45.0171 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2808 HA2 :: 3.5500 HA3 :: 4.3450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8003 Ave N Shift Values>> N :: 109.67(3.87) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.14 F 0.1 Y 0.08 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 174.4430 CA :: 54.8652 CB :: 41.2870 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 :: 8.1600 HA :: 4.6200 HB2 :: 2.6560 HB3 :: 2.9140 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 :: 122.7171 Ave N Shift Values>> N :: 120.65(3.86) 1.E98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 M 0.27 E 0.11 C Shift Assignments>> C :: 176.7834 CA :: 54.2018 CB :: 33.5356 CG :: 36.3256 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 :: 8.1580 HA :: 5.6570(S) HB2 :: 1.8100 HB3 :: 1.7700 HG2 :: 2.0566 HG3 :: 2.2380 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 :: 118.9579 Ave N Shift Values>> N :: 120.67(3.48) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.29 K 0.14 G 0.02 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> C :: 174.7718 CA :: 54.5344 CB :: 37.5690 CG :: 25.2516 CD :: 28.9000 CE :: 42.3270 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 :: 8.4180 HA :: 4.7472 HB2 :: 1.6160 HB3 :: 1.7501 HG2 :: 1.4580 HG3 :: 1.4046 HD2 :: 1.7980 HD3 :: 1.8918 HE2 :: 2.9750 HE3 :: 3.0980 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 :: 120.2474 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T100 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 :: 173.9614 CA :: 62.7598 CB :: 69.1364 CG2 :: 22.0999 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 :: 8.7669 HA :: 5.4177 HB :: 3.9450 HG21 :: 1.1653 HG22 :: 1.1653 HG23 :: 1.1653 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 :: 121.0254 Ave N Shift Values>> N :: 115.42(4.75) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.22 L 0.1 A 0.04 C Shift Assignments>> C :: 175.4930 CA :: 53.9078 CB :: 47.5567 CG :: 26.6000 CD1 :: 24.0737 CD2 :: 26.7878 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.6677 HA :: 5.0750 HB2 :: 1.6241 HB3 :: 1.9072 HG :: 0.8820 HD11 :: 1.1050 HD12 :: 1.1050 HD13 :: 1.1050 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 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 :: 128.0684 Ave N Shift Values>> N :: 121.86(3.9) 1.R102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.2 G 0.01 C Shift Assignments>> C :: 177.6683 CA :: 53.3911 CB :: 30.8206 CG :: 26.6500 CD :: 41.9063 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 :: 8.4540 HA :: 4.5950 HB2 :: 1.6800 HB3 :: 2.1300 HG2 :: 1.1299 HG3 :: 1.3066 HD2 :: 2.3300(S) HD3 :: 2.5570 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 :: 118.1160 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.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 R 0.12 Q 0.12 K 0.1 M 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 177.7322 CA :: 57.8821 CB :: 29.8480 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 :: 9.6589 HA :: 3.8400 HB2 :: 2.1990 HB3 :: 2.1510 HG2 :: 2.0645 HG3 :: 2.0645 HD2 :: 3.2257 HD3 :: 3.1464 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 :: 120.3437 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9312 CA :: 59.9607 CB :: 62.5205 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0400 HA :: 4.3564 HB2 :: 3.9396 HB3 :: 4.0850 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 :: 108.4986 Ave N Shift Values>> N :: 116.28(3.52) 1.S105 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 :: 171.9776 CA :: 59.4901 CB :: 64.9542 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8393 HA :: 4.7660 HB2 :: 4.4144 HB3 :: 4.0650 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 :: 117.1544 Ave N Shift Values>> N :: 116.28(3.52) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.29 C 0.18 R 0.02 C Shift Assignments>> C :: 176.0184 CA :: 53.6500 CB :: 44.7000 CG :: 25.9500 CD1 :: 24.6733 CD2 :: 26.6012 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 :: 8.0582 HA :: 5.1740 HB2 :: 1.7886 HB3 :: 0.9927 HG :: 1.7460 HD11 :: 0.6213 HD12 :: 0.6213 HD13 :: 0.6213 HD21 :: 0.3582 HD22 :: 0.3582 HD23 :: 0.3582 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.5216 Ave N Shift Values>> N :: 121.86(3.9) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 Q 0.13 R 0.12 C 0.12 K 0.1 M 0.04 I 0.01 C Shift Assignments>> C :: 174.0630 CA :: 57.1260 CB :: 29.8139 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8209 HA :: 4.7768 HB2 :: 2.6278 HB3 :: 2.7700 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 :: 119.0993 Ave N Shift Values>> N :: 120.17(4.64) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 177.2649 CA :: 55.1700 CB :: 42.2000 CG :: 27.1076 CD1 :: 24.9667 CD2 :: 23.5863 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 :: 8.8450 HA :: 4.3800 HB2 :: 1.6171 HB3 :: 1.5570 HG :: 1.6100 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.8396 HD22 :: 0.8396 HD23 :: 0.8396 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 :: 125.4380 Ave N Shift Values>> N :: 121.86(3.9) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 K 0.14 C Shift Assignments>> C :: 177.1342 CA :: 57.3653 CB :: 32.4531 CG :: 24.6693 CD :: 28.8765 CE :: 39.5937 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 :: 8.1801 HA :: 4.1224 HB2 :: 1.6105 HB3 :: 1.6952 HG2 :: 1.2861 HG3 :: 1.2861 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 :: 122.3933 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.9853 CA :: 45.1081 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4740 HA2 :: 3.8007 HA3 :: 4.0050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3188 Ave N Shift Values>> N :: 109.67(3.87) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.11 K 0.04 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.2878 CA :: 56.3300 CB :: 30.4934 CG :: 36.4856 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 :: 8.0640 HA :: 4.2446 HB2 :: 1.9300 HB3 :: 1.9650 HG2 :: 2.1996 HG3 :: 2.1500 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 :: 120.3996 Ave N Shift Values>> N :: 120.67(3.48) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.13 G 0.01 C Shift Assignments>> C :: 175.6057 CA :: 55.7960 CB :: 30.7000 CG :: 27.0078 CD :: 42.3940 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 :: 8.2480 HA :: 4.1680 HB2 :: 1.5990 HB3 :: 1.5990 HG2 :: 1.3920 HG3 :: 1.4441 HD2 :: 3.0157 HD3 :: 3.0157 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5001 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.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.07 HN Overlap>> 1.D121 1.D121 C Shift Assignments>> C :: 174.4068 CA :: 55.6000 CB :: 29.9960 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 :: 8.2272 HA :: 4.5680 HB2 :: 2.9350 HB3 :: 2.9350 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.4549 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.28 C 0.14 D 0.08 I 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 175.2419 CA :: 57.5593 CB :: 39.7453 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 :: 8.1460 HA :: 4.5750 HB2 :: 2.9360 HB3 :: 3.1030 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.9747 Ave N Shift Values>> N :: 120.45(4.18) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 177.5037 CA :: 52.3838 CB :: 19.4224 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3080 HA :: 4.3000 HB1 :: 1.3540 HB2 :: 1.3540 HB3 :: 1.3540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4937 Ave N Shift Values>> N :: 123.23(3.54) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.07 K 0.06 Q 0.04 I 0.04 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 176.6939 CA :: 56.9634 CB :: 30.0848 CG :: 36.3975 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 :: 8.3680 HA :: 4.2500 HB2 :: 1.9530 HB3 :: 2.0720 HG2 :: 2.2750 HG3 :: 2.2750 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 :: 120.1779 Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5825 CA :: 58.5553 CB :: 63.9400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2160 HA :: 4.4149 HB2 :: 3.8250 HB3 :: 3.8750 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 :: 115.7157 Ave N Shift Values>> N :: 116.28(3.52) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.09 K 0.04 Q 0.03 I 0.03 HN Overlap>> 1.R145 1.R145 C Shift Assignments>> C :: 176.5972 CA :: 56.9227 CB :: 30.3686 CG :: 36.4692 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 :: 8.3870 HA :: 4.3609 HB2 :: 1.9500 HB3 :: 2.0700 HG2 :: 2.2650 HG3 :: 2.2300 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 :: 122.6282 Ave N Shift Values>> N :: 120.67(3.48) 1.T119 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 :: 174.6016 CA :: 61.7570 CB :: 69.5535 CG2 :: 21.6474 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 :: 8.1150 HA :: 4.3425 HB :: 4.1910 HG21 :: 1.1722 HG22 :: 1.1722 HG23 :: 1.1722 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 :: 114.7511 Ave N Shift Values>> N :: 115.42(4.75) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 177.1146 CA :: 55.3713 CB :: 42.3736 CG :: 27.1493 CD1 :: 24.8831 CD2 :: 23.7108 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 :: 8.1980 HA :: 4.3373 HB2 :: 1.6200 HB3 :: 1.5690 HG :: 1.6100 HD11 :: 0.8889 HD12 :: 0.8889 HD13 :: 0.8889 HD21 :: 0.8360 HD22 :: 0.8360 HD23 :: 0.8360 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3678 Ave N Shift Values>> N :: 121.86(3.9) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.1 K 0.1 N 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.H113 1.H113 C Shift Assignments>> C :: 175.8867 CA :: 54.4921 CB :: 41.0757 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 :: 8.2400 HA :: 4.5450 HB2 :: 2.5698 HB3 :: 2.6542 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 :: 120.5061 Ave N Shift Values>> N :: 120.65(3.86) 1.Q122 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> Q 0.32 K 0.25 C 0.23 M 0.09 E 0.07 R 0.02 C Shift Assignments>> C :: 175.6346 CA :: 55.4701 CB :: 29.6405 CG :: 33.8505 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 :: 8.0800 HA :: 4.3180 HB2 :: 1.9280 HB3 :: 2.0800 HG2 :: 2.3064 HG3 :: 2.3064 HE21 :: 6.7950 HE22 :: 7.5050 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 :: 119.3615 NE2 :: 85.5000(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.19 A 0.03 R 0.01 C Shift Assignments>> C :: 175.2332 CA :: 53.4500 CB :: 41.5196 CG :: 27.1219 CD1 :: 25.0059 CD2 :: 23.5319 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 :: 8.1750 HA :: 4.5621 HB2 :: 1.5260 HB3 :: 1.6060 HG :: 1.6455 HD11 :: 0.9137 HD12 :: 0.9137 HD13 :: 0.9137 HD21 :: 0.8841 HD22 :: 0.8841 HD23 :: 0.8841 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.6423 Ave N Shift Values>> N :: 121.86(3.9) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.7671 CA :: 63.2000 CB :: 31.9800 CG :: 27.3938 CD :: 50.4825 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 :: 4.4125 HB2 :: 1.8680 HB3 :: 2.2400 HG2 :: 1.9751 HG3 :: 1.9751 HD2 :: 3.8000 HD3 :: 3.5900 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.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.29 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 177.5433 CA :: 55.4059 CB :: 42.2762 CG :: 27.1028 CD1 :: 24.8408 CD2 :: 23.8213 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 :: 8.2350 HA :: 4.3321 HB2 :: 1.5649 HB3 :: 1.6193 HG :: 1.6110 HD11 :: 0.8911 HD12 :: 0.8911 HD13 :: 0.8911 HD21 :: 0.8374 HD22 :: 0.8374 HD23 :: 0.8374 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 :: 121.7655 Ave N Shift Values>> N :: 121.86(3.9) 1.T126 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 :: 173.8893 CA :: 61.6558 CB :: 69.6902 CG2 :: 21.5747 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 :: 7.9797 HA :: 4.2800 HB :: 4.1500 HG21 :: 1.1480 HG22 :: 1.1480 HG23 :: 1.1480 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 :: 113.9318 Ave N Shift Values>> N :: 115.42(4.75) 1.N127 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.64 D 0.16 C 0.08 F 0.03 L 0.03 Y 0.03 C Shift Assignments>> C :: 173.4020 CA :: 51.4703 CB :: 38.9209 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 :: 8.3810 HA :: 4.9400 HB2 :: 2.6489 HB3 :: 2.7620 HD21 :: 7.5850 HD22 :: 6.9150 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 :: 121.7810 ND2 :: 85.9059(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.1153 CA :: 63.5460 CB :: 31.9726 CG :: 27.3000 CD :: 50.7416 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 :: 4.3000 HB2 :: 1.8743 HB3 :: 2.2360 HG2 :: 1.9780 HG3 :: 1.9780 HD2 :: 3.6940 HD3 :: 3.6940 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.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 M 0.05 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.4032 CA :: 56.9919 CB :: 29.8147 CG :: 36.3364 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 :: 8.3857 HA :: 4.1257 HB2 :: 1.8309 HB3 :: 1.8309 HG2 :: 2.1700 HG3 :: 2.0835 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 :: 119.5507 Ave N Shift Values>> N :: 120.67(3.48) 1.H130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 Q 0.14 W 0.13 E 0.12 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 174.6972 CA :: 55.7341 CB :: 30.1211 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 :: 8.0609 HA :: 4.5700 HB2 :: 3.0100 HB3 :: 3.0600 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.7875 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 176.0648 CA :: 57.8110 CB :: 39.4796 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 :: 8.0790 HA :: 4.5900 HB2 :: 2.9860 HB3 :: 3.1300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.1551 Ave N Shift Values>> N :: 120.45(4.18) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.7096 CA :: 45.0770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2479 HA2 :: 3.9040 HA3 :: 3.9461 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3728 Ave N Shift Values>> N :: 109.67(3.87) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.7911 CA :: 59.8995 CB :: 69.5914 CG2 :: 21.4329 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 :: 7.9800 HA :: 4.5816 HB :: 4.1200 HG21 :: 1.2280 HG22 :: 1.2280 HG23 :: 1.2280 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 :: 116.5306 Ave N Shift Values>> N :: 115.42(4.75) 1.P134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.6557 CA :: 63.2290 CB :: 32.0805 CG :: 27.3498 CD :: 51.1454 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 :: 4.4103 HB2 :: 1.8320 HB3 :: 2.2500 HG2 :: 2.0150 HG3 :: 1.9463 HD2 :: 3.6940 HD3 :: 3.7940 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.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 176.1756 CA :: 62.4340 CB :: 32.6287 CG1 :: 20.8548 CG2 :: 20.8548 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 :: 8.2140 HA :: 4.0363 HB :: 1.9970 HG11 :: 0.8815 HG12 :: 0.8815 HG13 :: 0.8815 HG21 :: 0.9231 HG22 :: 0.9231 HG23 :: 0.9231 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.1873 Ave N Shift Values>> N :: 121.14(4.54) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.5587 CA :: 61.0353 CB :: 38.5882 CG1 :: 27.3034 CG2 :: 17.3693 CD1 :: 12.5430 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 :: 8.1750 HA :: 4.1500 HB :: 1.8209 HG12 :: 1.1749 HG13 :: 1.4527 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 HD11 :: 0.8231 HD12 :: 0.8231 HD13 :: 0.8231 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 :: 125.2756 Ave N Shift Values>> N :: 121.46(4.28) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.8383 CA :: 45.1485 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4147 HA2 :: 3.9276 HA3 :: 3.9276 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1855 Ave N Shift Values>> N :: 109.67(3.87) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.1 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 176.6435 CA :: 56.1544 CB :: 33.2945 CG :: 24.8622 CD :: 29.0821 CE :: 42.1440 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 :: 8.1169 HA :: 4.2800 HB2 :: 1.8055 HB3 :: 1.7140 HG2 :: 1.4112 HG3 :: 1.4112 HD2 :: 1.6592 HD3 :: 1.6592 HE2 :: 2.9745 HE3 :: 2.9745 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 :: 120.9495 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.46 C Shift Assignments>> C :: 176.7542 CA :: 56.5459 CB :: 33.0746 CG :: 24.9467 CD :: 29.2219 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 :: 8.4248 HA :: 4.3760 HB2 :: 1.7971 HB3 :: 1.7971 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 :: 122.8357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T140 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 :: 174.1319 CA :: 61.6155 CB :: 69.6967 CG2 :: 21.5500 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 :: 8.1500 HA :: 4.3250 HB :: 4.1847 HG21 :: 1.1753 HG22 :: 1.1753 HG23 :: 1.1753 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 :: 115.2484 Ave N Shift Values>> N :: 115.42(4.75) 1.N141 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.5 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.V49 1.V49 C Shift Assignments>> CA :: 53.2177 CB :: 38.8786 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 :: 8.4930 HA :: 4.7109 HB2 :: 2.7700 HB3 :: 2.7700 HD21 :: 7.5883 HD22 :: 6.8861 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 :: 121.3604 ND2 :: 85.9059(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.07 K 0.04 C Shift Assignments>> C :: 176.7259 CA :: 56.4052 CB :: 30.7350 CG :: 27.1728 CD :: 43.4909 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 :: 8.3710 HA :: 4.3200 HB2 :: 1.7520 HB3 :: 1.8700 HG2 :: 1.6137 HG3 :: 1.6137 HD2 :: 3.1732 HD3 :: 3.1732 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6504 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.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.9682 CA :: 45.2183 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3870 HA2 :: 3.9196 HA3 :: 3.9196 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6860 Ave N Shift Values>> N :: 109.67(3.87) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.07 K 0.04 C Shift Assignments>> C :: 176.4507 CA :: 56.1168 CB :: 30.9453 CG :: 27.1285 CD :: 43.4771 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 :: 8.1657 HA :: 4.3411 HB2 :: 1.8600 HB3 :: 1.7500 HG2 :: 1.6174 HG3 :: 1.6174 HD2 :: 3.1784 HD3 :: 3.1784 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 :: 120.7549 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.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.07 K 0.05 HN Overlap>> 1.E118 1.E118 C Shift Assignments>> C :: 176.3566 CA :: 56.1132 CB :: 30.8204 CG :: 27.2180 CD :: 43.4498 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 :: 8.4542 HA :: 4.3715 HB2 :: 1.7500 HB3 :: 1.8650 HG2 :: 1.6132 HG3 :: 1.6132 HD2 :: 3.1743 HD3 :: 3.1743 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.5822 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.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2128 CA :: 58.1868 CB :: 63.8279 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3410 HA :: 4.4130 HB2 :: 3.8010 HB3 :: 3.8420 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 :: 116.8439 Ave N Shift Values>> N :: 116.28(3.52) 1.N147 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 C Shift Assignments>> CA :: 53.4511 CB :: 38.7646 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 :: 8.4302 HA :: 4.6991 HB2 :: 2.7700 HB3 :: 2.7500 HD21 :: 6.8491 HD22 :: 7.5521 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 :: 120.4086 ND2 :: 85.6476(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 R 0.14 Q 0.13 E 0.13 W 0.13 C 0.11 K 0.08 M 0.06 C Shift Assignments>> C :: 174.4521 CA :: 56.0745 CB :: 30.0781 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>> HA :: 4.5840 HB2 :: 3.0800 HB3 :: 3.0800 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) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.2000 CA :: 58.7408 CB :: 38.6324 CG1 :: 26.8752 CG2 :: 17.0303 CD1 :: 12.5921 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9640 HA :: 4.4034 HB :: 1.8037 HG12 :: 1.0510 HG13 :: 1.3980 HG21 :: 0.8943 HG22 :: 0.8943 HG23 :: 0.8943 HD11 :: 0.8147 HD12 :: 0.8147 HD13 :: 0.8147 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 :: 124.5000 Ave N Shift Values>> N :: 121.46(4.28) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.8950 CA :: 63.4040 CB :: 31.8951 CG :: 27.3502 CD :: 51.0507 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 :: 4.3570 HB2 :: 1.9496 HB3 :: 2.2520 HG2 :: 2.0312 HG3 :: 1.9506 HD2 :: 3.8000 HD3 :: 3.6540 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.E151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.35 M 0.12 I 0.02 C Shift Assignments>> C :: 169.2847(S) CA :: 58.0779 CB :: 31.4396 CG :: 36.8904 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 :: 7.9755 HA :: 4.0770 HB2 :: 1.8743 HB3 :: 2.0093 HG2 :: 2.2208 HG3 :: 2.2208 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 :: 126.7193 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 8 #Anomalous: 8 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 149 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 628 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 990 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 139 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 8 Error Summary: 1.R21 HG2 = 0.3800(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0462e-05 1.G22 N = 130.9306(S), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9361e-08 1.K30 N = 107.0052(S), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9500e-04 1.R34 HD2 = 2.3060(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.9469e-04 1.R34 HD3 = 2.2400(S), Expected = 3.10, Std = 0.2600, ChiSquare = 9.4068e-04 1.Q52 NE2 = 85.9733(A), Expected = 111.87, Std = 1.7200, ChiSquare = 3.1424e-51 1.N70 ND2 = 83.7000(A), Expected = 112.75, Std = 2.2300, ChiSquare = 8.6026e-39 1.Q76 NE2 = 83.3535(A), Expected = 111.87, Std = 1.7200, ChiSquare = 9.8269e-62 1.N81 ND2 = 80.1300(A), Expected = 112.75, Std = 2.2300, ChiSquare = 1.8672e-48 1.A86 N = 108.7556(S), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3359e-05 1.E98 HA = 5.6570(S), Expected = 4.25, Std = 0.4100, ChiSquare = 5.9979e-04 1.R102 HD2 = 2.3300(S), Expected = 3.12, Std = 0.2400, ChiSquare = 9.9596e-04 1.Q122 NE2 = 85.5000(A), Expected = 111.87, Std = 1.7200, ChiSquare = 4.7174e-53 1.N127 ND2 = 85.9059(A), Expected = 112.75, Std = 2.2300, ChiSquare = 2.2511e-33 1.N141 ND2 = 85.9059(A), Expected = 112.75, Std = 2.2300, ChiSquare = 2.2511e-33 1.N147 ND2 = 85.6476(A), Expected = 112.75, Std = 2.2300, ChiSquare = 5.4933e-34 1.E151 C = 169.2847(S), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0029e-04