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.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q27 1.Q27 C Shift Assignments>> CA :: 62.3570 CB :: 32.6350 CG1 :: 21.4190 CG2 :: 20.6140 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 :: 8.5900 HA :: 4.3920 HB :: 2.2440 HG11 :: 1.0620 HG12 :: 1.0620 HG13 :: 1.0620 HG21 :: 1.0710 HG22 :: 1.0710 HG23 :: 1.0710 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 :: 122.4220 Ave N Shift Values>> N :: 121.14(4.54) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.12 G 0.07 C Shift Assignments>> CA :: 57.3560 CB :: 30.3100 CG :: 27.3220 CD :: 43.1180 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 :: 8.8626 HA :: 4.4320 HB2 :: 1.9880 HB3 :: 1.9880 HG2 :: 1.7766 HG3 :: 1.7766 HD2 :: 3.2765 HD3 :: 3.2765 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 :: 124.7041 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.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.35 R 0.14 E 0.06 I 0.04 M 0.02 C Shift Assignments>> CA :: 59.0250 CB :: 28.0670 CG :: 33.6870 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 :: 8.7714 HA :: 4.0940 HB2 :: 2.1740 HB3 :: 2.1740 HG2 :: 2.5350 HG3 :: 2.5350 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 :: 119.8738 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.34 K 0.09 Q 0.03 M 0.01 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> CA :: 59.2840 CB :: 29.0770 CG :: 36.5730 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 :: 8.5363 HA :: 4.2130 HB2 :: 2.1660 HB3 :: 2.1660 HG2 :: 2.4140 HG3 :: 2.4140 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 :: 120.0726 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.38 K 0.04 M 0.02 C Shift Assignments>> CA :: 59.2650 CB :: 29.6870 CG :: 37.2260 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 :: 8.2117 HA :: 4.1932 HB2 :: 2.2600 HB3 :: 2.2600 HG2 :: 2.4790 HG3 :: 2.4790 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 :: 122.2351 Ave N Shift Values>> N :: 120.67(3.48) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.12 K 0.01 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> CA :: 57.7410 CB :: 41.2500 CG :: 27.4270 CD1 :: 23.9560 CD2 :: 26.5160 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 :: 8.1260 HA :: 4.0910 HB2 :: 2.0110 HB3 :: 1.3950 HG :: 1.5370 HD11 :: 0.9580 HD12 :: 0.9580 HD13 :: 0.9580 HD21 :: 0.9220 HD22 :: 0.9220 HD23 :: 0.9220 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 :: 121.5410 Ave N Shift Values>> N :: 121.86(3.9) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.04 C Shift Assignments>> CA :: 55.3360 CB :: 17.7160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0579 HA :: 4.0977 HB1 :: 1.5374 HB2 :: 1.5374 HB3 :: 1.5374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3110 Ave N Shift Values>> N :: 123.23(3.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 I 0.02 C Shift Assignments>> CA :: 54.6900 CB :: 18.1410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1230 HA :: 4.3200 HB1 :: 1.6870 HB2 :: 1.6870 HB3 :: 1.6870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6493 Ave N Shift Values>> N :: 123.23(3.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.04 C Shift Assignments>> CA :: 55.3250 CB :: 18.2960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2039 HA :: 4.1245 HB1 :: 1.4480 HB2 :: 1.4480 HB3 :: 1.4480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4590 Ave N Shift Values>> N :: 123.23(3.54) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.27 K 0.1 C Shift Assignments>> CA :: 60.1590 CB :: 30.0120 CG :: 28.6770 CD :: 43.5520 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 :: 8.4746 HA :: 3.9290 HB2 :: 1.8560 HB3 :: 1.8560 HG2 :: 1.6380 HG3 :: 1.8760 HD2 :: 3.1280 HD3 :: 3.1280 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.8696 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.36 I 0.03 C Shift Assignments>> CA :: 54.9040 CB :: 17.5650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1067 HA :: 4.2650 HB1 :: 1.5970 HB2 :: 1.5970 HB3 :: 1.5970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5482 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> CA :: 54.7490 CB :: 17.9450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8568 HA :: 4.2490 HB1 :: 1.4710 HB2 :: 1.4710 HB3 :: 1.4710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7604 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> CA :: 57.9060 CB :: 40.9080 CG :: 26.9300 CD1 :: 26.4500 CD2 :: 23.9360 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 :: 7.8558 HA :: 3.9090 HB2 :: 2.0100 HB3 :: 1.2480 HG :: 1.6440 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 HD21 :: 0.8980 HD22 :: 0.8980 HD23 :: 0.8980 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2050 Ave N Shift Values>> N :: 121.86(3.9) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> CA :: 59.4820 CB :: 27.8800 CD2 :: 120.1370 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 :: 8.0675 HA :: 4.2630 HB2 :: 3.2970 HB3 :: 3.5310 HD2 :: 7.4070 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 :: 117.9393 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 I 0.11 D 0.08 L 0.07 C Shift Assignments>> CA :: 57.6200 CB :: 39.4100 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 :: 8.4612 HA :: 4.2430 HB2 :: 3.1740 HB3 :: 2.4110 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 :: 121.5246 Ave N Shift Values>> N :: 120.65(3.86) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.14 A 0.05 G 0.01 C Shift Assignments>> CA :: 57.3200 CB :: 41.8220 CG :: 26.2500 CD1 :: 22.1130 CD2 :: 26.3440 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 :: 7.9280 HA :: 4.3750 HB2 :: 1.9250 HB3 :: 1.2990 HG :: 1.7610 HD11 :: 0.6590 HD12 :: 0.6590 HD13 :: 0.6590 HD21 :: 0.6560 HD22 :: 0.6560 HD23 :: 0.6560 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 :: 119.8794 Ave N Shift Values>> N :: 121.86(3.9) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.07 C Shift Assignments>> CA :: 56.5540 CB :: 31.9150 CG :: 31.7950 CE :: 16.4080 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.4337 HA :: 4.5060 HB2 :: 2.2340 HB3 :: 2.6980 HG2 :: 2.6590 HG3 :: 2.6590 HE1 :: 2.1020 HE2 :: 2.1020 HE3 :: 2.1020 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.8392 Ave N Shift Values>> N :: 120.09(3.57) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.2570 CB :: 69.1470 CG2 :: 21.1880 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 :: 7.6249 HA :: 4.5490 HB :: 4.4960 HG21 :: 0.9970 HG22 :: 0.9970 HG23 :: 0.9970 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.6410 Ave N Shift Values>> N :: 115.42(4.75) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> CA :: 45.7050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5309 HA2 :: 4.4666 HA3 :: 3.6963 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2862 Ave N Shift Values>> N :: 109.67(3.87) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.35 G 0.01 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> CA :: 56.4760 CB :: 32.0130 CG :: 25.5000 CD :: 28.7460 CE :: 42.3120 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 :: 8.0710 HA :: 4.3930 HB2 :: 1.7870 HB3 :: 1.5410 HG2 :: 1.5580 HG3 :: 1.5580 HD2 :: 1.7410 HD3 :: 1.7410 HE2 :: 3.0870 HE3 :: 3.0530 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.5210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.2 G 0.05 C Shift Assignments>> CA :: 58.1770 CB :: 30.9350 CG :: 27.3680 CD :: 42.9060 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 :: 8.6509 HA :: 4.1400 HB2 :: 1.9780 HB3 :: 1.9780 HG2 :: 1.7870 HG3 :: 1.7870 HD2 :: 3.3100 HD3 :: 3.3100 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 :: 120.5699 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.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 59.6230 CB :: 35.5240 CG1 :: 20.6010 CG2 :: 20.6010 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.4849 HA :: 4.9170 HB :: 1.9680 HG11 :: 0.8970 HG12 :: 0.8970 HG13 :: 0.8970 HG21 :: 0.8370 HG22 :: 0.8370 HG23 :: 0.8370 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 :: 114.5299 Ave N Shift Values>> N :: 121.14(4.54) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 A 0.24 K 0.07 C Shift Assignments>> CA :: 51.1540 CB :: 23.3230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8466 HA :: 4.8860 HB1 :: 1.4660 HB2 :: 1.4660 HB3 :: 1.4660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1494 Ave N Shift Values>> N :: 123.23(3.54) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.7890 CB :: 70.9890 CG2 :: 21.6280 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 :: 8.5342 HA :: 5.5400 HB :: 3.9770 HG21 :: 1.1330 HG22 :: 1.1330 HG23 :: 1.1330 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 :: 114.4104 Ave N Shift Values>> N :: 115.42(4.75) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> CA :: 59.5020 CB :: 35.5060 CG1 :: 20.6770 CG2 :: 22.0670 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 :: 8.8431 HA :: 4.5930 HB :: 2.3660 HG11 :: 0.9660 HG12 :: 0.9660 HG13 :: 0.9660 HG21 :: 1.0240 HG22 :: 1.0240 HG23 :: 1.0240 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.4019 Ave N Shift Values>> N :: 121.14(4.54) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.36 M 0.09 R 0.05 E 0.04 HN Overlap>> 1.V2 1.V2 C Shift Assignments>> CA :: 54.4820 CB :: 29.2140 CG :: 33.5780 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 :: 8.5967 HA :: 4.9620 HB2 :: 1.9830 HB3 :: 1.9830 HG2 :: 2.2290 HG3 :: 2.2290 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.4368 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.08 C Shift Assignments>> CA :: 55.4100 CB :: 35.2040 CG :: 24.6920 CD :: 29.2900 CE :: 41.5620 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 :: 9.0189 HA :: 4.6380 HB2 :: 1.4620 HB3 :: 1.5980 HG2 :: 1.1590 HG3 :: 1.1590 HD2 :: 1.0080 HD3 :: 1.3750 HE2 :: 2.6640 HE3 :: 2.6640 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 :: 127.4708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 F 0.24 Y 0.22 L 0.16 I 0.02 K 0.01 C Shift Assignments>> CA :: 55.3090 CB :: 39.7420 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 :: 9.4698 HA :: 4.3353 HB2 :: 2.9483 HB3 :: 2.6883 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 :: 127.4311 Ave N Shift Values>> N :: 120.65(3.86) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.3320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6828 HA2 :: 3.6546 HA3 :: 4.1376 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.4728 Ave N Shift Values>> N :: 109.67(3.87) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.17 G 0.14 C Shift Assignments>> CA :: 54.0130 CB :: 32.7150 CG :: 26.6050 CD :: 43.2570 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8003 HA :: 4.6920 HB2 :: 1.7835 HB3 :: 1.7835 HG2 :: 1.5684 HG3 :: 1.5684 HD2 :: 3.1847 HD3 :: 3.1847 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.8307 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.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.15 G 0.08 C Shift Assignments>> CA :: 56.0100 CB :: 30.4170 CG :: 27.7200 CD :: 43.2270 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 :: 8.4529 HA :: 4.5310 HB2 :: 1.7050 HB3 :: 1.7050 HG2 :: 1.3700 HG3 :: 1.5760 HD2 :: 3.1618 HD3 :: 3.1618 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 :: 122.4160 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.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.5280 CB :: 33.8000 CG1 :: 21.6700 CG2 :: 21.6700 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 :: 9.0441 HA :: 4.1240 HB :: 1.7817 HG11 :: 0.7810 HG12 :: 0.7810 HG13 :: 0.7810 HG21 :: 0.4150 HG22 :: 0.4150 HG23 :: 0.4150 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.0083 Ave N Shift Values>> N :: 121.14(4.54) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.44 Q 0.01 C Shift Assignments>> CA :: 54.8180 CB :: 31.8290 CG :: 36.9190 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 :: 8.2338 HA :: 4.8480 HB2 :: 1.7810 HB3 :: 1.7810 HG2 :: 2.1290 HG3 :: 2.1290 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.0515 Ave N Shift Values>> N :: 120.67(3.48) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.93 G 0.06 C Shift Assignments>> CA :: 57.2290 CB :: 42.7830 CD1 :: 132.3040 CD2 :: 132.3040 CE1 :: 130.9900 CE2 :: 130.9900 CZ :: 129.0870 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 :: 9.1992 HA :: 4.8270 HB2 :: 2.9990 HB3 :: 2.6560 HD1 :: 7.3090 HD2 :: 7.3090 HE1 :: 7.1110 HE2 :: 7.1370 HZ :: 6.9350 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 :: 122.3729 Ave N Shift Values>> N :: 120.45(4.18) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.6190 CB :: 72.3670 CG2 :: 21.2400 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 :: 8.2026 HA :: 5.0860 HB :: 4.6713 HG21 :: 1.3240 HG22 :: 1.3240 HG23 :: 1.3240 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.9180 Ave N Shift Values>> N :: 115.42(4.75) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.04 C Shift Assignments>> CA :: 55.4400 CB :: 18.4030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1403 HA :: 4.1740 HB1 :: 1.6310 HB2 :: 1.6310 HB3 :: 1.6310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5544 Ave N Shift Values>> N :: 123.23(3.54) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.4910 CB :: 68.5140 CG2 :: 21.9110 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 :: 7.8977 HA :: 4.3670 HB :: 4.4260 HG21 :: 1.3410 HG22 :: 1.3410 HG23 :: 1.3410 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.8617 Ave N Shift Values>> N :: 115.42(4.75) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.5320 CB :: 63.0120 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1463 HA :: 5.2060 HB2 :: 4.0292 HB3 :: 4.6283 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 :: 115.8223 Ave N Shift Values>> N :: 116.28(3.52) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.4180 CB :: 31.8960 CG1 :: 23.5670 CG2 :: 20.9380 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.3653 HA :: 3.7180 HB :: 2.2250 HG11 :: 1.1320 HG12 :: 1.1320 HG13 :: 1.1320 HG21 :: 1.0520 HG22 :: 1.0520 HG23 :: 1.0520 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 :: 122.5419 Ave N Shift Values>> N :: 121.14(4.54) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.8730 CB :: 61.8730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9859 HA :: 4.1271 HB2 :: 3.9909 HB3 :: 3.9909 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 :: 116.2516 Ave N Shift Values>> N :: 116.28(3.52) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 D 0.15 L 0.15 I 0.05 K 0.05 C Shift Assignments>> CA :: 57.0810 CB :: 40.3370 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 :: 7.7233 HA :: 4.5830 HB2 :: 2.9290 HB3 :: 3.1930 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 :: 122.0892 Ave N Shift Values>> N :: 120.65(3.86) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 A 0.31 C Shift Assignments>> CA :: 57.2950 CB :: 39.9280 CG :: 26.9110 CD1 :: 21.1600 CD2 :: 26.1550 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 :: 7.6854 HA :: 3.7960 HB2 :: 1.8570 HB3 :: 0.5720 HG :: 1.3140 HD11 :: 0.5770 HD12 :: 0.5770 HD13 :: 0.5770 HD21 :: 0.5920 HD22 :: 0.5920 HD23 :: 0.5920 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 :: 124.5403 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.37 G 0.01 C Shift Assignments>> CA :: 60.6970 CB :: 31.9800 CG :: 26.9070 CD :: 29.6090 CE :: 41.4990 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5157 HA :: 3.8920 HB2 :: 1.9242 HB3 :: 1.9242 HG2 :: 1.4360 HG3 :: 1.7090 HD2 :: 1.7380 HD3 :: 1.7380 HE2 :: 2.9400 HE3 :: 2.9400 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 :: 118.6553 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> CA :: 59.5510 CB :: 32.5150 CG :: 25.2090 CD :: 29.3540 CE :: 41.8140 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 :: 7.8658 HA :: 4.1620 HB2 :: 2.0630 HB3 :: 2.0630 HG2 :: 1.5610 HG3 :: 1.6910 HD2 :: 1.7880 HD3 :: 1.7880 HE2 :: 3.0180 HE3 :: 3.0180 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 :: 120.7522 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.7570 CB :: 37.9760 CD1 :: 132.4000 CD2 :: 132.4000 CE1 :: 117.7750 CE2 :: 117.7500 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7198 HA :: 4.7810 HB2 :: 3.2205 HB3 :: 3.3862 HD1 :: 7.1590 HD2 :: 7.1590 HE1 :: 6.8460 HE2 :: 6.8460 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.9239 Ave N Shift Values>> N :: 120.52(4.2) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.1030 CB :: 38.3560 CG1 :: 32.1310 CG2 :: 16.9510 CD1 :: 15.3290 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 :: 8.3741 HA :: 3.1400 HB :: 1.7680 HG12 :: 0.6200 HG13 :: 1.7310 HG21 :: 0.7960 HG22 :: 0.7960 HG23 :: 0.7960 HD11 :: 0.8190 HD12 :: 0.8190 HD13 :: 0.8190 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.0098 Ave N Shift Values>> N :: 121.46(4.28) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.02 C Shift Assignments>> CA :: 54.7490 CB :: 17.5220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7933 HA :: 4.2490 HB1 :: 1.5441 HB2 :: 1.5441 HB3 :: 1.5441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9959 Ave N Shift Values>> N :: 123.23(3.54) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.24 K 0.12 Q 0.06 M 0.02 C Shift Assignments>> CA :: 59.0150 CB :: 29.2280 CG :: 36.2520 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 :: 7.9891 HA :: 4.1220 HB2 :: 2.4500 HB3 :: 2.2080 HG2 :: 2.5450 HG3 :: 2.3480 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 :: 119.0296 Ave N Shift Values>> N :: 120.67(3.48) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 G 0.2 R 0.08 A 0.02 C Shift Assignments>> CA :: 57.3600 CB :: 43.5140 CG :: 26.2710 CD1 :: 22.3800 CD2 :: 25.2290 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 :: 8.2467 HA :: 4.0540 HB2 :: 2.0028 HB3 :: 1.1360 HG :: 1.4350 HD11 :: 0.7990 HD12 :: 0.7990 HD13 :: 0.7990 HD21 :: 0.2890 HD22 :: 0.2890 HD23 :: 0.2890 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 :: 120.6655 Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.41 K 0.02 M 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> CA :: 59.4810 CB :: 29.6450 CG :: 37.6690 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 :: 8.6400 HA :: 3.8720 HB2 :: 2.3031 HB3 :: 1.9590 HG2 :: 2.5964 HG3 :: 2.1210 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 :: 120.0368 Ave N Shift Values>> N :: 120.67(3.48) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.9600 CB :: 31.8270 CG1 :: 21.1100 CG2 :: 21.9910 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.6045 HA :: 3.9580 HB :: 2.3280 HG11 :: 1.0340 HG12 :: 1.0340 HG13 :: 1.0340 HG21 :: 1.1460 HG22 :: 1.1460 HG23 :: 1.1460 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.5623 Ave N Shift Values>> N :: 121.14(4.54) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 R 0.05 M 0.04 I 0.01 C Shift Assignments>> CA :: 57.6010 CB :: 29.0880 CG :: 33.8980 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 :: 8.1259 HA :: 4.2344 HB2 :: 2.1473 HB3 :: 2.2391 HG2 :: 2.6169 HG3 :: 2.4805 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 :: 120.0474 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.8650 CB :: 69.8220 CG2 :: 21.5530 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0807 HA :: 4.3590 HB :: 4.3520 HG21 :: 1.2790 HG22 :: 1.2790 HG23 :: 1.2790 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 :: 110.6788 Ave N Shift Values>> N :: 115.42(4.75) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> CA :: 45.7080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0059 HA2 :: 4.0630 HA3 :: 4.0630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8951 Ave N Shift Values>> N :: 109.67(3.87) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.22 K 0.03 E 0.01 C Shift Assignments>> CA :: 55.8990 CB :: 32.5870 CG :: 31.9780 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.0824 HA :: 4.5124 HB2 :: 2.1290 HB3 :: 2.1290 HG2 :: 2.6260 HG3 :: 2.6260 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.6533 Ave N Shift Values>> N :: 120.09(3.57) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.0640 CB :: 69.5420 CG2 :: 21.5980 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 :: 8.0122 HA :: 4.3370 HB :: 4.2570 HG21 :: 1.2430 HG22 :: 1.2430 HG23 :: 1.2430 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 :: 114.1057 Ave N Shift Values>> N :: 115.42(4.75) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 M 0.08 E 0.07 R 0.05 HN Overlap>> 1.R59 1.R59 C Shift Assignments>> CA :: 55.7030 CB :: 29.2890 CG :: 33.6630 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 :: 8.3483 HA :: 4.3534 HB2 :: 2.1570 HB3 :: 2.1570 HG2 :: 2.4160 HG3 :: 2.4160 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.2861 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.09 G 0.08 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> CA :: 55.9800 CB :: 30.6470 CG :: 27.0160 CD :: 43.1830 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 :: 8.3483 HA :: 4.3336 HB2 :: 1.8634 HB3 :: 1.7930 HG2 :: 1.6950 HG3 :: 1.6950 HD2 :: 3.2303 HD3 :: 3.2303 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 :: 122.2861 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.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.1 G 0.08 C Shift Assignments>> CA :: 56.0590 CB :: 30.6970 CG :: 27.0290 CD :: 43.1480 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 :: 8.4345 HA :: 4.3522 HB2 :: 1.8670 HB3 :: 1.8670 HG2 :: 1.6860 HG3 :: 1.6860 HD2 :: 3.2550 HD3 :: 3.2550 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 :: 122.9587 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.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.2 G 0.07 C Shift Assignments>> CA :: 55.9560 CB :: 30.8440 CD :: 43.1700 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 :: 8.4925 HA :: 4.3969 HB2 :: 1.9187 HB3 :: 1.8025 HG2 :: 1.6864 HG3 :: 1.6864 HD2 :: 3.2332 HD3 :: 3.2332 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.3047 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.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 46.0310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0682 HA2 :: 3.7980 HA3 :: 3.7450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5427 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 203 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 423 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 61 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0