Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.36 W 0.34 C 0.28 C Shift Assignments>> C :: 175.28853 CA :: 56.20639 CB :: 30.16201 CD2 :: 119.90796 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 :: 4.65641 HB2 :: 3.07322 HB3 :: 3.14060 HD2 :: 7.05138 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.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.4 A 0.07 C Shift Assignments>> C :: 175.90344 CA :: 55.98334 CB :: 32.40644 CG :: 31.70459 CE :: 16.54837 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 :: 8.36343 HA :: 4.30056 HB2 :: 1.75849 HB3 :: 1.82835 HG2 :: 2.27785 HG3 :: 2.27785 HE1 :: 1.38477 HE2 :: 1.38477 HE3 :: 1.38477 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 :: 121.97587 Ave N Shift Values>> N :: 120.09(3.57) 1.T5 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 :: 173.78847 CA :: 61.84447 CB :: 68.89583 CG2 :: 21.07826 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 :: 7.78956 HA :: 4.18484 HB :: 3.92042 HG21 :: 0.82371 HG22 :: 0.82371 HG23 :: 0.82371 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 :: 114.33902 Ave N Shift Values>> N :: 115.42(4.75) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.48625 CA :: 58.22988 CB :: 63.84664 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.17681 HA :: 4.37193 HB2 :: 3.75080 HB3 :: 3.84449 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 :: 118.25611 Ave N Shift Values>> N :: 116.28(3.52) 1.E7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.29 Q 0.16 K 0.16 I 0.03 R 0.02 C Shift Assignments>> C :: 178.09817 CA :: 55.98136 CB :: 28.20654 CG :: 35.62373 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 :: 7.83462 HA :: 3.98403 HB2 :: 0.44082(S) HB3 :: 0.53641(S) HG2 :: 1.93701 HG3 :: 2.00314 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 :: 122.19229 Ave N Shift Values>> N :: 120.67(3.48) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.42 K 0.05 G 0.05 L 0.01 C Shift Assignments>> C :: 174.91604 CA :: 57.70373 CB :: 29.73614 CG :: 27.50544 CD :: 43.21374 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 :: 8.80720 HA :: 4.02549 HB2 :: 1.54891 HB3 :: 1.88634 HG2 :: 1.73222 HG3 :: 1.73222 HD2 :: 3.12466 HD3 :: 3.12466 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 :: 120.45722 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.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 176.06612 CA :: 54.46059 CB :: 29.61671 CD1 :: 129.67368 CE3 :: 121.37735 CZ2 :: 115.35363 CZ3 :: 120.39903 CH2 :: 124.20881 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 :: 6.32063 HA :: 4.93855 HB2 :: 3.01239 HB3 :: 3.75075 HD1 :: 7.45482 HE1 :: 10.84215 HE3 :: 6.67810 HZ2 :: 7.53874 HZ3 :: 7.41855 HH2 :: 6.68380 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 :: 109.89139 NE1 :: 132.32988 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 F 0.35 C Shift Assignments>> C :: 175.07367 CA :: 57.50685 CB :: 38.92440 CD1 :: 132.36187 CD2 :: 132.36187 CE1 :: 132.87691 CE2 :: 132.87691 CZ :: 131.81206 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.73796 HA :: 5.48169 HB2 :: 2.53675 HB3 :: 3.03558 HD1 :: 7.18171 HD2 :: 7.18171 HE1 :: 7.39855 HE2 :: 7.39855 HZ :: 7.76287 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 :: 123.74489 Ave N Shift Values>> N :: 120.45(4.18) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.21 W 0.12 Y 0.06 C Shift Assignments>> C :: 175.20490 CA :: 56.70341 CB :: 33.88581 CD2 :: 117.70666 CE1 :: 135.61068 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 :: 9.16805 HA :: 4.21443 HB2 :: 2.54038 HB3 :: 3.27598 HD2 :: 7.40000 HE1 :: 7.25650 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 :: 126.11693 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.68 C 0.1 P 0.08 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 173.81309 CA :: 47.73328 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.33867(S) HA2 :: 3.34467 HA3 :: 3.74561 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.14548 Ave N Shift Values>> N :: 109.67(3.87) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.3 C Shift Assignments>> C :: 172.80408 CA :: 56.27440 CB :: 27.78831 CD2 :: 120.41360 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 :: 8.80702 HA :: 4.58701 HB2 :: 3.07524 HB3 :: 3.30549 HD2 :: 7.18032 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 :: 126.87769 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.22 L 0.21 R 0.01 C Shift Assignments>> C :: 174.92105 CA :: 54.80475 CB :: 45.18918 CG :: 26.44999 CD1 :: 25.08648 CD2 :: 26.95571 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 :: 7.76810 HA :: 4.34609 HB2 :: 1.37290 HB3 :: 1.42536 HG :: 1.71630 HD11 :: 0.96154 HD12 :: 0.96154 HD13 :: 0.96154 HD21 :: 0.66313 HD22 :: 0.66313 HD23 :: 0.66313 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 :: 129.89215 Ave N Shift Values>> N :: 121.86(3.9) 1.S15 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 :: 175.49368 CA :: 57.61741 CB :: 65.55448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.85897 HA :: 4.43831 HB2 :: 3.96634 HB3 :: 4.26194 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 :: 123.14196 Ave N Shift Values>> N :: 116.28(3.52) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 P 0.12 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 176.48360 CA :: 47.84373 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.86705 HA2 :: 3.36032 HA3 :: 3.77557 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.50493 Ave N Shift Values>> N :: 109.67(3.87) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 180.08531 CA :: 58.84761 CB :: 32.27105 CG :: 24.78980 CD :: 28.71909 CE :: 42.02828 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 :: 8.19854 HA :: 4.03501 HB2 :: 1.71304 HB3 :: 1.79125 HG2 :: 1.42018 HG3 :: 1.48882 HD2 :: 1.65676 HD3 :: 1.65676 HE2 :: 2.96668 HE3 :: 2.96668 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 :: 120.63149 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.3 I 0.2 K 0.01 M 0.01 C Shift Assignments>> C :: 179.58418 CA :: 59.08597 CB :: 29.87345 CG :: 37.41378 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 :: 7.80182 HA :: 3.97437 HB2 :: 1.97966 HB3 :: 2.15192 HG2 :: 2.22302 HG3 :: 2.27818 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 :: 120.61700 Ave N Shift Values>> N :: 120.67(3.48) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 I 0.03 C 0.03 C Shift Assignments>> C :: 178.96524 CA :: 55.29175 CB :: 18.49925 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.78974 HA :: 3.86203 HB1 :: 1.43921 HB2 :: 1.43921 HB3 :: 1.43921 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.27858 Ave N Shift Values>> N :: 123.23(3.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.34 E 0.23 K 0.03 C Shift Assignments>> C :: 178.87349 CA :: 60.15261 CB :: 28.82481 CG :: 36.80312 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 :: 8.60119 HA :: 3.78954 HB2 :: 2.11775 HB3 :: 2.22821 HG2 :: 2.62515 HG3 :: 2.62515 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 :: 116.86618 Ave N Shift Values>> N :: 120.67(3.48) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.44 R 0.04 C Shift Assignments>> C :: 178.07374 CA :: 60.13956 CB :: 32.52310 CG :: 24.62433 CD :: 29.48532 CE :: 42.08876 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 :: 7.79922 HA :: 4.00204 HB2 :: 1.84783 HB3 :: 1.92814 HG2 :: 1.28598 HG3 :: 1.44963 HD2 :: 1.65484 HD3 :: 1.65484 HE2 :: 2.96201 HE3 :: 2.96201 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 :: 122.63062 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.38 R 0.09 G 0.03 C Shift Assignments>> C :: 179.51858 CA :: 58.27205 CB :: 42.86295 CG :: 27.11524 CD1 :: 25.41842 CD2 :: 23.70835 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 :: 7.93387 HA :: 4.05090 HB2 :: 1.31970 HB3 :: 1.64970 HG :: 1.64512 HD11 :: 0.84347 HD12 :: 0.84347 HD13 :: 0.84347 HD21 :: 0.82991 HD22 :: 0.82991 HD23 :: 0.82991 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 :: 118.95857 Ave N Shift Values>> N :: 121.86(3.9) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.29 R 0.27 G 0.01 C Shift Assignments>> C :: 179.66177 CA :: 57.90542 CB :: 42.48505 CG :: 28.05934 CD1 :: 26.56558 CD2 :: 23.70716 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 :: 8.39549 HA :: 3.64373 HB2 :: 0.99503 HB3 :: 1.81340 HG :: 1.50561 HD11 :: 0.53517 HD12 :: 0.53517 HD13 :: 0.53517 HD21 :: 0.58520 HD22 :: 0.58520 HD23 :: 0.58520 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.42205 Ave N Shift Values>> N :: 121.86(3.9) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.T116 1.T116 C Shift Assignments>> C :: 175.16954 CA :: 66.35300 CB :: 68.87971 CG2 :: 20.94613 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 :: 8.16131 HA :: 3.80872 HB :: 4.27104 HG21 :: 1.16857 HG22 :: 1.16857 HG23 :: 1.16857 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 :: 115.15711 Ave N Shift Values>> N :: 115.42(4.75) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.36 I 0.09 M 0.05 K 0.01 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 178.65745 CA :: 59.05033 CB :: 30.69347 CG :: 36.91862 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 :: 8.23537 HA :: 4.17268 HB2 :: 1.98572 HB3 :: 2.10712 HG2 :: 2.20847 HG3 :: 2.52231 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 :: 119.29759 Ave N Shift Values>> N :: 120.67(3.48) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.36 R 0.12 G 0.01 C Shift Assignments>> C :: 177.17170 CA :: 55.51957 CB :: 34.55497 CG :: 25.05891 CD :: 28.92974 CE :: 42.21021 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 :: 8.27482 HA :: 4.64694 HB2 :: 1.85341 HB3 :: 1.95914 HG2 :: 1.40569 HG3 :: 1.49761 HD2 :: 1.63584 HD3 :: 1.66353 HE2 :: 2.95766 HE3 :: 2.95766 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.61834 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.99657 CA :: 43.88179 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.14893 HA2 :: 3.69069 HA3 :: 4.32071 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.72526 Ave N Shift Values>> N :: 109.67(3.87) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 175.41207 CA :: 53.98339 CB :: 35.73213 CG :: 24.18687 CD :: 29.00469 CE :: 42.21072 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 :: 8.47076 HA :: 4.57998 HB2 :: 1.66996 HB3 :: 2.01180 HG2 :: 1.29641 HG3 :: 1.34813 HD2 :: 1.63675 HD3 :: 1.63675 HE2 :: 2.91715 HE3 :: 2.91715 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.05737 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.27 H 0.21 C Shift Assignments>> C :: 177.75546 CA :: 60.57655 CB :: 30.65485 CD2 :: 118.23579 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 :: 9.05419 HA :: 4.02934 HB2 :: 2.96436 HB3 :: 3.05397 HD2 :: 6.87190 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 :: 121.18632 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 175.35814 CA :: 45.41796 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.66508 HA2 :: 3.64852 HA3 :: 3.90911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.13860 Ave N Shift Values>> N :: 109.67(3.87) 1.S31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 172.97411 CA :: 60.38932 CB :: 63.56601 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.75076 HA :: 5.87569(S) HB2 :: 3.77363 HB3 :: 3.91137 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 :: 120.69314 Ave N Shift Values>> N :: 116.28(3.52) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 F 0.12 C 0.1 Y 0.07 C Shift Assignments>> C :: 171.11183 CA :: 55.22820 CB :: 44.62738 CZ :: 129.14121 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.52436 HA :: 5.99805 HB2 :: 2.68229 HB3 :: 2.84689 HE1 :: 6.54912 HE2 :: 6.54912 HZ :: 6.67736 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.43128 Ave N Shift Values>> N :: 120.45(4.18) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.25 L 0.14 R 0.01 C Shift Assignments>> C :: 174.48899 CA :: 54.29922 CB :: 44.85516 CG :: 25.09108 CD1 :: 25.19251 CD2 :: 26.93805 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 :: 9.04158 HA :: 5.01546 HB2 :: 1.80425 HB3 :: 1.95526 HG :: 1.64686 HD11 :: 0.56927 HD12 :: 0.56927 HD13 :: 0.56927 HD21 :: 0.14194 HD22 :: 0.14194 HD23 :: 0.14194 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.23528 Ave N Shift Values>> N :: 121.86(3.9) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 HN Overlap>> 1.Y76 1.Y76 C Shift Assignments>> C :: 173.06566 CA :: 60.61699 CB :: 34.60427 CG1 :: 22.66897 CG2 :: 23.50295 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 :: 9.34397 HA :: 5.70291 HB :: 2.39953 HG11 :: 1.32277 HG12 :: 1.32277 HG13 :: 1.32277 HG21 :: 0.91637 HG22 :: 0.91637 HG23 :: 0.91637 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 :: 120.02143 Ave N Shift Values>> N :: 121.14(4.54) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.21 G 0.17 R 0.15 C Shift Assignments>> C :: 174.41970 CA :: 53.22998 CB :: 34.32403 CG :: 25.80007 CD :: 43.23344 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 :: 9.46462 HA :: 5.00919 HB2 :: 1.27128 HB3 :: 2.25329 HG2 :: 1.53801 HG3 :: 1.53801 HD2 :: 2.37029 HD3 :: 3.38063 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 :: 123.88471 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.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.4 M 0.09 I 0.04 K 0.02 Q 0.01 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 176.37250 CA :: 57.10196 CB :: 30.63912 CG :: 37.01603 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 :: 8.65926 HA :: 4.31308 HB2 :: 1.88111 HB3 :: 1.98399 HG2 :: 2.57453 HG3 :: 2.57453 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 :: 120.68131 Ave N Shift Values>> N :: 120.67(3.48) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.52023 CA :: 57.48213 CB :: 63.57485 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.84150 HA :: 4.43405 HB2 :: 3.41237 HB3 :: 3.71204 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 :: 115.34740 Ave N Shift Values>> N :: 116.28(3.52) 1.Q38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 Q 0.24 K 0.2 E 0.18 R 0.03 I 0.03 C Shift Assignments>> C :: 177.58635 CA :: 57.20650 CB :: 28.27382 CG :: 34.86647 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 :: 10.55671(S) HA :: 4.23527 HB2 :: 2.02453 HB3 :: 2.10276 HG2 :: 2.41176 HG3 :: 2.41176 HE21 :: 6.85738 HE22 :: 7.22545 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 :: 129.09649 NE2 :: 111.44520 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.11727 CA :: 60.50522 CB :: 63.48869 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.05160 HA :: 4.20913 HB2 :: 3.76094 HB3 :: 3.85610 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 :: 116.31195 Ave N Shift Values>> N :: 116.28(3.52) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.31 C 0.24 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> CA :: 53.06550 CB :: 28.84226 CD2 :: 120.28228 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 :: 8.21275 HA :: 4.77988 HB2 :: 3.06249 HB3 :: 3.31358 HD2 :: 7.25760 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 :: 123.15479 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 177.87032 CA :: 64.31646 CB :: 31.54761 CG :: 27.71926 CD :: 50.19943 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 :: 4.28929 HB2 :: 1.84979 HB3 :: 2.27034 HG2 :: 1.85866 HG3 :: 2.04501 HD2 :: 3.31731 HD3 :: 3.46489 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.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.14870 CA :: 45.16070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.94814 HA2 :: 3.47021 HA3 :: 4.41040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.82643 Ave N Shift Values>> N :: 109.67(3.87) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.27 K 0.12 R 0.07 N 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.13656 CA :: 53.42556 CB :: 42.03744 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 :: 7.95467 HA :: 5.26588 HB2 :: 2.94141 HB3 :: 3.13080 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 :: 119.13021 Ave N Shift Values>> N :: 120.65(3.86) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 G 0.2 C 0.15 C Shift Assignments>> C :: 173.25708 CA :: 57.12764 CB :: 43.71253 CD1 :: 131.41174 CD2 :: 131.41174 CE1 :: 131.09553 CE2 :: 131.09553 CZ :: 130.21271 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 :: 9.13635 HA :: 5.30896 HB2 :: 2.76923 HB3 :: 3.23858 HD1 :: 7.23973 HD2 :: 7.23973 HE1 :: 7.58945 HE2 :: 7.58945 HZ :: 7.40595 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.68081 Ave N Shift Values>> N :: 120.45(4.18) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 174.26467 CA :: 61.39541 CB :: 36.23379 CG1 :: 22.83992 CG2 :: 21.47378 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 :: 9.52812 HA :: 4.81538 HB :: 1.69205 HG11 :: 0.99203 HG12 :: 0.99203 HG13 :: 0.99203 HG21 :: 0.95923 HG22 :: 0.95923 HG23 :: 0.95923 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 :: 119.38494 Ave N Shift Values>> N :: 121.14(4.54) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.31 C 0.16 R 0.05 C Shift Assignments>> C :: 174.88257 CA :: 53.25285 CB :: 44.26489 CG :: 27.40228 CD1 :: 24.42477 CD2 :: 25.84924 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 :: 9.40400 HA :: 5.11288 HB2 :: 1.26724 HB3 :: 1.81208 HG :: 1.36411 HD11 :: 0.53339 HD12 :: 0.53339 HD13 :: 0.53339 HD21 :: 0.45327 HD22 :: 0.45327 HD23 :: 0.45327 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 :: 129.90246 Ave N Shift Values>> N :: 121.86(3.9) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.94957 CA :: 59.24746 CB :: 64.63443 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.11988 HA :: 5.35353 HB2 :: 3.35855 HB3 :: 3.38989 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 :: 125.82542 Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 174.84391 CA :: 59.80647 CB :: 36.01778 CG1 :: 20.71819 CG2 :: 21.31716 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 :: 8.81829 HA :: 4.94416 HB :: 1.68345 HG11 :: 0.71676 HG12 :: 0.71676 HG13 :: 0.71676 HG21 :: 0.68156 HG22 :: 0.68156 HG23 :: 0.68156 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 :: 122.84490 Ave N Shift Values>> N :: 121.14(4.54) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.33 K 0.09 G 0.09 C Shift Assignments>> C :: 173.93379 CA :: 55.04639 CB :: 31.51703 CG :: 27.85745 CD :: 43.52819 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 :: 9.04003 HA :: 4.98118 HB2 :: 1.42139 HB3 :: 2.19461 HG2 :: 1.55666 HG3 :: 1.55666 HD2 :: 2.59954 HD3 :: 2.91969 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 :: 128.50975 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.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.68939 CA :: 61.04897 CB :: 70.25990 CG2 :: 22.23396 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 :: 8.77253 HA :: 4.64511 HB :: 4.24846 HG21 :: 1.12507 HG22 :: 1.12507 HG23 :: 1.12507 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 :: 122.01119 Ave N Shift Values>> N :: 115.42(4.75) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.10131 CA :: 45.02491 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.64886 HA2 :: 3.97514 HA3 :: 4.11272 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.48180 Ave N Shift Values>> N :: 109.67(3.87) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.26 K 0.14 R 0.09 F 0.06 N 0.04 C 0.04 Y 0.04 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 176.14122 CA :: 53.94594 CB :: 42.16885 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 :: 8.39226 HA :: 4.62002 HB2 :: 2.57437 HB3 :: 2.66191 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 :: 120.65708 Ave N Shift Values>> N :: 120.65(3.86) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 F 0.12 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 176.45576 CA :: 55.03373 CB :: 41.01674 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 :: 8.53354 HA :: 4.49648 HB2 :: 2.58047 HB3 :: 2.66445 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 :: 120.62832 Ave N Shift Values>> N :: 120.65(3.86) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.14 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 177.08647 CA :: 56.27068 CB :: 32.71726 CG :: 24.70793 CD :: 28.90010 CE :: 42.11131 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 :: 8.33448 HA :: 4.31358 HB2 :: 1.77509 HB3 :: 1.86431 HG2 :: 1.35756 HG3 :: 1.40053 HD2 :: 1.65023 HD3 :: 1.65023 HE2 :: 2.97075 HE3 :: 2.97075 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 :: 120.29786 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 174.33238 CA :: 45.54023 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.26168 HA2 :: 3.88635 HA3 :: 3.96017 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.25216 Ave N Shift Values>> N :: 109.67(3.87) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.03 HN Overlap>> 1.D52 1.D53 1.D52 1.D53 C Shift Assignments>> C :: 176.79748 CA :: 56.75725 CB :: 30.26853 CG :: 36.29314 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 :: 8.45239 HA :: 4.28648 HB2 :: 1.91845 HB3 :: 2.05951 HG2 :: 2.22929 HG3 :: 2.22929 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 :: 120.60107 Ave N Shift Values>> N :: 120.67(3.48) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.70246 CA :: 58.35570 CB :: 63.85097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.37065 HA :: 4.44058 HB2 :: 3.87516 HB3 :: 3.87516 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 :: 115.78260 Ave N Shift Values>> N :: 116.28(3.52) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.16 C 0.1 Y 0.09 F 0.08 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 175.16954 CA :: 53.69125 CB :: 38.66390 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 :: 8.55699 HA :: 4.70250 HB2 :: 2.74695 HB3 :: 2.85028 HD21 :: 6.90675 HD22 :: 7.59682 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 :: 120.51477 ND2 :: 113.02903 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.1 F 0.1 K 0.09 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> C :: 176.83913 CA :: 54.49470 CB :: 41.02132 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 :: 8.22457 HA :: 4.53491 HB2 :: 2.60103 HB3 :: 2.73137 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 :: 119.23408 Ave N Shift Values>> N :: 120.65(3.86) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.31893 CA :: 45.73199 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27625 HA2 :: 3.87165 HA3 :: 3.94288 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.57591 Ave N Shift Values>> N :: 109.67(3.87) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.12 C Shift Assignments>> C :: 176.63268 CA :: 56.05145 CB :: 33.18952 CG :: 24.79098 CD :: 28.94921 CE :: 42.19755 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 :: 7.96812 HA :: 4.37221 HB2 :: 1.74303 HB3 :: 1.80748 HG2 :: 1.40392 HG3 :: 1.40392 HD2 :: 1.65173 HD3 :: 1.65173 HE2 :: 2.97290 HE3 :: 2.97290 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 :: 120.37565 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.24365 CA :: 58.47831 CB :: 64.20790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.29507 HA :: 4.54634 HB2 :: 3.76084 HB3 :: 3.76084 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 :: 117.01117 Ave N Shift Values>> N :: 116.28(3.52) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.05 G 0.01 C Shift Assignments>> C :: 175.03851 CA :: 56.07040 CB :: 34.29756 CD :: 29.18479 CE :: 42.23627 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 :: 8.63132 HA :: 4.38471 HB2 :: 1.65291 HB3 :: 1.79391 HG2 :: 1.32703 HG3 :: 1.37648 HD2 :: 1.58491 HD3 :: 1.58491 HE2 :: 2.91271 HE3 :: 2.96982 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 :: 123.01507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 174.32904 CA :: 60.51887 CB :: 34.88681 CG1 :: 21.31635 CG2 :: 22.42842 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 :: 8.11383 HA :: 4.77231 HB :: 1.62399 HG11 :: 0.21096 HG12 :: 0.21096 HG13 :: 0.21096 HG21 :: 0.75274 HG22 :: 0.75274 HG23 :: 0.75274 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 :: 121.36756 Ave N Shift Values>> N :: 121.14(4.54) 1.T65 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 :: 171.65610 CA :: 61.49029 CB :: 70.64420 CG2 :: 21.88055 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 :: 8.80443 HA :: 4.27922 HB :: 3.56831 HG21 :: 1.07068 HG22 :: 1.07068 HG23 :: 1.07068 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 :: 124.45412 Ave N Shift Values>> N :: 115.42(4.75) 1.H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.33 C 0.25 C Shift Assignments>> C :: 174.77634 CA :: 54.76377 CB :: 31.69740 CD2 :: 120.86356 CE1 :: 138.11458 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 :: 8.73539 HA :: 5.02724 HB2 :: 2.66005 HB3 :: 2.94838 HD2 :: 7.10080 HE1 :: 7.41377 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 :: 126.42756 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.95168 CA :: 61.82618 CB :: 33.67919 CG1 :: 21.16252 CG2 :: 21.07552 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 :: 9.57123 HA :: 4.12355 HB :: 2.13386 HG11 :: 0.84481 HG12 :: 0.84481 HG13 :: 0.84481 HG21 :: 0.75188 HG22 :: 0.75188 HG23 :: 0.75188 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 :: 127.84046 Ave N Shift Values>> N :: 121.14(4.54) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.43 A 0.05 C Shift Assignments>> C :: 175.43688 CA :: 56.03941 CB :: 31.78966 CE :: 16.16304 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 :: 8.70469 HA :: 4.57691 HB2 :: 1.94268 HB3 :: 2.01094 HG2 :: 2.52710 HG3 :: 2.52710 HE1 :: 1.90816 HE2 :: 1.90816 HE3 :: 1.90816 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 :: 127.25496 Ave N Shift Values>> N :: 120.09(3.57) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.57041 CA :: 60.01338 CB :: 39.60219 CG1 :: 26.14685 CG2 :: 18.56920 CD1 :: 15.12082 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.02797 HA :: 4.62244 HB :: 1.83119 HG12 :: 0.78365 HG13 :: 1.69753 HG21 :: 1.03005 HG22 :: 1.03005 HG23 :: 1.03005 HD11 :: 0.73852 HD12 :: 0.73852 HD13 :: 0.73852 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 :: 125.60321 Ave N Shift Values>> N :: 121.46(4.28) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.12 K 0.03 C Shift Assignments>> C :: 175.55310 CA :: 55.61664 CB :: 31.59577 CG :: 26.65861 CD :: 43.75701 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 :: 8.77322 HA :: 4.41941 HB2 :: 1.81603 HB3 :: 1.91101 HG2 :: 1.69777 HG3 :: 1.69777 HD2 :: 3.11159 HD3 :: 3.16886 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 :: 127.96648 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.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 C 0.13 R 0.12 W 0.11 H 0.1 E 0.1 L 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 174.58247 CA :: 57.11275 CB :: 28.24362 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.79280 HA :: 5.07078 HB2 :: 2.71160 HB3 :: 3.16013 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 :: 125.09418 Ave N Shift Values>> N :: 120.17(4.64) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.26 Q 0.23 E 0.05 K 0.03 C Shift Assignments>> C :: 175.06274 CA :: 55.09278 CB :: 31.50507 CG :: 33.83275 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 :: 8.63464 HA :: 4.58678 HB2 :: 1.83750 HB3 :: 1.93916 HG2 :: 2.17394 HG3 :: 2.24231 HE21 :: 6.68834 HE22 :: 7.63248 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 :: 127.84579 NE2 :: 111.63800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.27 I 0.21 K 0.03 L 0.01 Q 0.01 C Shift Assignments>> C :: 174.88807 CA :: 57.33668 CB :: 27.57031 CG :: 37.00652 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.32750 HA :: 3.75395 HB2 :: 1.94313 HB3 :: 2.09990 HG2 :: 2.16418 HG3 :: 2.16418 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 :: 125.18858 Ave N Shift Values>> N :: 120.67(3.48) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.48 A 0.02 HN Overlap>> 1.G55 1.G55 C Shift Assignments>> C :: 175.28240 CA :: 56.58273 CB :: 39.36338 CG :: 27.19029 CD1 :: 25.38772 CD2 :: 22.64913 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 :: 8.33096 HA :: 3.46032 HB2 :: 1.63572 HB3 :: 2.08833 HG :: 1.45313 HD11 :: 0.87577 HD12 :: 0.87577 HD13 :: 0.87577 HD21 :: 0.81621 HD22 :: 0.81621 HD23 :: 0.81621 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 :: 109.17798 Ave N Shift Values>> N :: 121.86(3.9) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.34 R 0.2 G 0.03 C Shift Assignments>> C :: 175.89064 CA :: 53.96496 CB :: 36.15985 CG :: 24.98674 CD :: 29.06447 CE :: 42.49090 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 :: 7.53333 HA :: 4.99211 HB2 :: 1.57352 HB3 :: 1.76371 HG2 :: 1.35568 HG3 :: 1.35568 HE2 :: 2.89995 HE3 :: 2.89995 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 :: 118.03269 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 G 0.01 HN Overlap>> 1.V34 1.V34 C Shift Assignments>> C :: 175.87235 CA :: 56.98441 CB :: 42.01932 CD1 :: 132.59181 CD2 :: 132.59181 CE1 :: 118.74643 CE2 :: 118.74643 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 :: 9.28215 HA :: 5.75781 HB2 :: 2.55236 HB3 :: 2.74550 HD1 :: 6.86780 HD2 :: 6.86780 HE1 :: 6.73991 HE2 :: 6.73991 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.02432 Ave N Shift Values>> N :: 120.52(4.2) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 C 0.04 D 0.01 C Shift Assignments>> C :: 174.06779 CA :: 54.19101 CB :: 45.70103 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 :: 9.14240 HA :: 5.23164 HB2 :: 2.77710 HB3 :: 2.83461 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 :: 119.62694 Ave N Shift Values>> N :: 120.65(3.86) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 177.25328 CA :: 60.29290 CB :: 31.75735 CG1 :: 22.46652 CG2 :: 20.36062 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 :: 8.79270 HA :: 4.96164 HB :: 2.30972 HG11 :: 0.80026 HG12 :: 0.80026 HG13 :: 0.80026 HG21 :: 0.79646 HG22 :: 0.79646 HG23 :: 0.79646 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 :: 114.21824 Ave N Shift Values>> N :: 121.14(4.54) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.92665 CA :: 45.79684 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.37505 HA2 :: 3.66910 HA3 :: 4.18693 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.04694 Ave N Shift Values>> N :: 109.67(3.87) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 HN Overlap>> 1.G104 1.G104 C Shift Assignments>> C :: 174.43621 CA :: 44.92831 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.19299 HA2 :: 3.97018 HA3 :: 4.08747 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.89383 Ave N Shift Values>> N :: 109.67(3.87) 1.G81 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 :: 173.69188 CA :: 45.11029 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.41586 HA2 :: 3.87464 HA3 :: 4.02513 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.28879 Ave N Shift Values>> N :: 109.67(3.87) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.3 M 0.12 Q 0.11 K 0.08 I 0.01 C Shift Assignments>> C :: 174.27604 CA :: 56.40908 CB :: 30.28038 CG :: 35.79078 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 :: 7.98703 HA :: 3.97268 HB2 :: 1.40641 HB3 :: 1.64397 HG2 :: 1.80980 HG3 :: 1.88290 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 :: 120.72630 Ave N Shift Values>> N :: 120.67(3.48) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.37 G 0.23 K 0.01 C Shift Assignments>> C :: 176.02035 CA :: 54.33705 CB :: 32.88517 CG :: 26.95578 CD :: 43.98119 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 :: 7.87631 HA :: 4.90087 HB2 :: 1.55620 HB3 :: 1.55620 HG2 :: 1.48557 HG3 :: 1.48557 HD2 :: 3.08019 HD3 :: 3.08019 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 :: 119.64774 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.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 G 0.26 C 0.13 C Shift Assignments>> C :: 176.28513 CA :: 57.49382 CB :: 43.96471 CD1 :: 131.50718 CD2 :: 131.50718 CE1 :: 131.47954 CE2 :: 131.47954 CZ :: 129.04648 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 :: 9.39728 HA :: 4.86937 HB2 :: 2.79342 HB3 :: 3.39934 HD1 :: 7.29322 HD2 :: 7.29322 HE1 :: 6.96927 HE2 :: 6.96927 HZ :: 5.91769 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 :: 119.80344 Ave N Shift Values>> N :: 120.45(4.18) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.16 F 0.12 Y 0.08 R 0.08 C 0.05 N 0.01 C Shift Assignments>> C :: 175.40028 CA :: 56.06751 CB :: 41.88451 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 :: 10.00148 HA :: 4.88355 HB2 :: 2.74612 HB3 :: 2.94680 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 :: 120.63843 Ave N Shift Values>> N :: 120.65(3.86) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 173.89406 CA :: 56.60545 CB :: 66.46180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.56387 HA :: 4.70567 HB2 :: 3.99138 HB3 :: 4.12866 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 :: 108.70088 Ave N Shift Values>> N :: 116.28(3.52) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.35 R 0.01 C Shift Assignments>> C :: 178.27064 CA :: 57.14253 CB :: 42.05745 CG :: 26.47870 CD1 :: 24.57966 CD2 :: 23.99580 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 :: 8.62913 HA :: 3.57646 HB2 :: 1.17220 HB3 :: 1.47888 HG :: 0.72369 HD11 :: 0.08483 HD12 :: 0.08483 HD13 :: 0.08483 HD21 :: 0.29422 HD22 :: 0.29422 HD23 :: 0.29422 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 :: 121.84581 Ave N Shift Values>> N :: 121.86(3.9) 1.T88 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 :: 175.25704 CA :: 67.16942 CB :: 68.68387 CG2 :: 22.35558 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 :: 7.89425 HA :: 4.08433 HB :: 4.00571 HG21 :: 1.37157 HG22 :: 1.37157 HG23 :: 1.37157 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 :: 114.66496 Ave N Shift Values>> N :: 115.42(4.75) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 L 0.15 D 0.13 K 0.1 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 177.92565 CA :: 57.13264 CB :: 40.78138 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 :: 7.75334 HA :: 4.22720 HB2 :: 2.77570 HB3 :: 2.91059 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 :: 121.04613 Ave N Shift Values>> N :: 120.65(3.86) 1.L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.31 K 0.1 L 0.05 G 0.01 C Shift Assignments>> C :: 177.25575 CA :: 58.94450 CB :: 42.19205 CG :: 27.71211 CD1 :: 28.74807 CD2 :: 24.13601 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.96538 HA :: 2.18165(S) HB2 :: 1.22299 HB3 :: 1.66286 HG :: 1.42504 HD11 :: 0.94523 HD12 :: 0.94523 HD13 :: 0.94523 HD21 :: 0.55509 HD22 :: 0.55509 HD23 :: 0.55509 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.52111 Ave N Shift Values>> N :: 121.86(3.9) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.26976 CA :: 67.18033 CB :: 31.58787 CG1 :: 20.98525 CG2 :: 22.26405 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 :: 7.99600 HA :: 2.78166 HB :: 1.57242 HG11 :: -0.02307 HG12 :: -0.02307 HG13 :: -0.02307 HG21 :: -0.11991 HG22 :: -0.11991 HG23 :: -0.11991 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 :: 120.03405 Ave N Shift Values>> N :: 121.14(4.54) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.17 K 0.07 Q 0.03 C Shift Assignments>> C :: 179.67109 CA :: 58.97081 CB :: 29.05188 CG :: 36.34646 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 :: 8.25885 HA :: 3.74406 HB2 :: 1.97182 HB3 :: 1.98288 HG2 :: 2.36069 HG3 :: 2.45786 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.90574 Ave N Shift Values>> N :: 120.67(3.48) 1.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.15 W 0.15 E 0.07 R 0.07 I 0.06 H 0.06 P 0.05 K 0.03 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.65484 CA :: 60.81886 CB :: 30.71334 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 :: 7.70372 HA :: 3.98409 HB2 :: 2.63229 HB3 :: 2.80327 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 :: 118.43640 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 176.44509 CA :: 61.17583 CB :: 37.15792 CD1 :: 133.53865 CD2 :: 133.53865 CE1 :: 118.18489 CE2 :: 118.18489 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 :: 7.70261 HA :: 4.72527 HB2 :: 2.22209 HB3 :: 3.19278 HD1 :: 7.21340 HD2 :: 7.21340 HE1 :: 6.86109 HE2 :: 6.86109 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 :: 117.27544 Ave N Shift Values>> N :: 120.52(4.2) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.4 R 0.07 C Shift Assignments>> C :: 178.22692 CA :: 58.91139 CB :: 33.12998 CG :: 25.45178 CD :: 30.16589 CE :: 41.44709 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 :: 7.79588 HA :: 4.20624 HB2 :: 1.69086 HB3 :: 1.79461 HG2 :: 1.11711 HG3 :: 1.11711 HD2 :: 1.47944 HD3 :: 1.47944 HE2 :: 2.97126 HE3 :: 2.97126 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.46723 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.09 C Shift Assignments>> C :: 175.43643 CA :: 56.70656 CB :: 34.26234 CG :: 24.90472 CD :: 29.03202 CE :: 42.06604 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 :: 6.92289 HA :: 4.23322 HB2 :: 1.62579 HB3 :: 1.75526 HG2 :: 1.32818 HG3 :: 1.39413 HE2 :: 2.93974 HE3 :: 2.93974 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.13374 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.35 L 0.12 C 0.06 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 50.74171 CB :: 40.81291 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.59344 HA :: 5.01107 HB2 :: 1.87536 HB3 :: 2.29024 HD21 :: 6.42870 HD22 :: 6.90845 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 :: 118.15626 ND2 :: 116.04442 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.60980 CA :: 62.94690 CB :: 32.58206 CG :: 27.28606 CD :: 50.37145 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 :: 4.57440 HB2 :: 1.74390 HB3 :: 2.13796 HG2 :: 1.96581 HG3 :: 1.96581 HD2 :: 3.56101 HD3 :: 3.67475 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.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.15 C Shift Assignments>> C :: 174.71476 CA :: 55.30586 CB :: 34.85298 CG :: 31.99157 CE :: 16.95245 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 :: 8.65297 HA :: 4.48131 HB2 :: 1.78945 HB3 :: 1.88630 HG2 :: 2.08857 HG3 :: 2.08857 HE1 :: 1.88424 HE2 :: 1.88424 HE3 :: 1.88424 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 :: 121.29610 Ave N Shift Values>> N :: 120.09(3.57) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.H40 1.H40 C Shift Assignments>> C :: 176.46701 CA :: 61.98722 CB :: 32.65932 CG1 :: 20.91559 CG2 :: 20.80554 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 :: 8.23963 HA :: 4.37960 HB :: 1.96976 HG11 :: 0.86971 HG12 :: 0.86971 HG13 :: 0.86971 HG21 :: 0.88831 HG22 :: 0.88831 HG23 :: 0.88831 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 :: 123.15556 Ave N Shift Values>> N :: 121.14(4.54) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 M 0.11 K 0.03 I 0.02 Q 0.02 C Shift Assignments>> C :: 177.35034 CA :: 56.61825 CB :: 30.60092 CG :: 36.67774 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 :: 8.68790 HA :: 4.41829 HB2 :: 2.03085 HB3 :: 2.11875 HG2 :: 2.29311 HG3 :: 2.29311 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 :: 126.18176 Ave N Shift Values>> N :: 120.67(3.48) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.11678 CA :: 64.51615 CB :: 69.43020 CG2 :: 21.82345 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 :: 8.27789 HA :: 4.06364 HB :: 4.11297 HG21 :: 1.22478 HG22 :: 1.22478 HG23 :: 1.22478 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 :: 115.64628 Ave N Shift Values>> N :: 115.42(4.75) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.32 A 0.02 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 178.05247 CA :: 55.72566 CB :: 41.13078 CG :: 27.13582 CD1 :: 25.09954 CD2 :: 22.94346 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 :: 8.28256 HA :: 4.27235 HB2 :: 1.64734 HB3 :: 1.85533 HG :: 1.62826 HD11 :: 0.90002 HD12 :: 0.90002 HD13 :: 0.90002 HD21 :: 0.84841 HD22 :: 0.84841 HD23 :: 0.84841 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 :: 120.30757 Ave N Shift Values>> N :: 121.86(3.9) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G80 1.G80 C Shift Assignments>> C :: 174.31844 CA :: 45.58405 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.25968 HA2 :: 3.64171 HA3 :: 4.20412 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.80329 Ave N Shift Values>> N :: 109.67(3.87) 1.T105 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 :: 172.90304 CA :: 62.01435 CB :: 69.86392 CG2 :: 21.99921 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 :: 7.77231 HA :: 4.33012 HB :: 4.11295 HG21 :: 1.22648 HG22 :: 1.22648 HG23 :: 1.22648 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 :: 115.12619 Ave N Shift Values>> N :: 115.42(4.75) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.66806 CA :: 61.73998 CB :: 33.03758 CG1 :: 21.44395 CG2 :: 21.10434 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 :: 8.34749 HA :: 4.51654 HB :: 1.94533 HG11 :: 0.82895 HG12 :: 0.82895 HG13 :: 0.82895 HG21 :: 0.92532 HG22 :: 0.92532 HG23 :: 0.92532 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 :: 122.96700 Ave N Shift Values>> N :: 121.14(4.54) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.18 G 0.1 R 0.04 C Shift Assignments>> C :: 174.51177 CA :: 53.73514 CB :: 43.38985 CG :: 26.95273 CD1 :: 25.11235 CD2 :: 24.63059 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 :: 8.88079 HA :: 4.47583 HB2 :: 1.30555 HB3 :: 1.48634 HG :: 1.36936 HD11 :: 0.63138 HD12 :: 0.63138 HD13 :: 0.63138 HD21 :: 0.61146 HD22 :: 0.61146 HD23 :: 0.61146 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 :: 128.31016 Ave N Shift Values>> N :: 121.86(3.9) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.27 C 0.24 E 0.07 K 0.07 C Shift Assignments>> C :: 174.29784 CA :: 54.80608 CB :: 30.95812 CG :: 34.01823 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.92101 HA :: 4.47258 HB2 :: 1.79801 HB3 :: 1.79801 HG2 :: 2.12246 HG3 :: 2.15032 HE21 :: 6.64175 HE22 :: 7.38031 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 :: 122.39802 NE2 :: 111.87691 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.27 A 0.03 C Shift Assignments>> C :: 176.64073 CA :: 54.71584 CB :: 40.33885 CG :: 26.96444 CD1 :: 24.57990 CD2 :: 23.26766 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 :: 8.45968 HA :: 4.08592 HB2 :: 0.53525 HB3 :: 1.24573 HG :: 1.20259 HD11 :: 0.02437 HD12 :: 0.02437 HD13 :: 0.02437 HD21 :: 0.08279 HD22 :: 0.08279 HD23 :: 0.08279 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 :: 124.39368 Ave N Shift Values>> N :: 121.86(3.9) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.11 C Shift Assignments>> C :: 175.90168 CA :: 57.15871 CB :: 33.26158 CG :: 25.14322 CD :: 28.59766 CE :: 41.93661 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 :: 9.10379 HA :: 4.51426 HB2 :: 1.65914 HB3 :: 1.89949 HG2 :: 1.32558 HG3 :: 1.42051 HD2 :: 1.71376 HD3 :: 1.71376 HE2 :: 2.95553 HE3 :: 2.95553 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 :: 122.16602 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.23 Q 0.21 M 0.14 R 0.08 C Shift Assignments>> CA :: 53.31826 CB :: 29.19396 CG :: 32.46444 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.50839 HA :: 4.93073 HB2 :: 1.90952 HB3 :: 2.29162 HG2 :: 2.30948 HG3 :: 2.30948 HE21 :: 6.68342 HE22 :: 7.35715 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 :: 115.69916 NE2 :: 112.42879 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> C :: 176.55306 CA :: 61.57715 CB :: 33.10928 CG :: 27.10844 CD :: 50.66590 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 :: 3.16879(S) HB2 :: 1.72733 HB3 :: 1.82072 HG2 :: 1.77974 HG3 :: 1.77974 HD2 :: 3.63670 HD3 :: 3.83413 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.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.32 R 0.12 C Shift Assignments>> C :: 175.48295 CA :: 53.81318 CB :: 41.65258 CG :: 28.30673 CD1 :: 25.20337 CD2 :: 26.03835 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 :: 8.60716 HA :: 4.53762 HB2 :: 1.03460 HB3 :: 1.78167 HG :: 1.47287 HD11 :: 0.75264 HD12 :: 0.75264 HD13 :: 0.75264 HD21 :: 0.72052 HD22 :: 0.72052 HD23 :: 0.72052 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 :: 125.74697 Ave N Shift Values>> N :: 121.86(3.9) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 176.98931 CA :: 52.86751 CB :: 39.56278 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 :: 8.51718 HA :: 4.89232 HB2 :: 2.56072 HB3 :: 2.64890 HD21 :: 6.53697 HD22 :: 7.37829 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.11403 ND2 :: 109.76053 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T115 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 :: 174.39986 CA :: 61.30933 CB :: 69.46922 CG2 :: 20.62168 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 :: 8.51377 HA :: 3.92604 HB :: 3.61790 HG21 :: 0.66191 HG22 :: 0.66191 HG23 :: 0.66191 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 :: 113.98446 Ave N Shift Values>> N :: 115.42(4.75) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.T24 1.T24 C Shift Assignments>> C :: 174.49000 CA :: 61.86435 CB :: 69.65844 CG2 :: 21.72974 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 :: 8.22812 HA :: 4.30631 HB :: 4.24879 HG21 :: 1.16520 HG22 :: 1.16520 HG23 :: 1.16520 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 :: 115.22116 Ave N Shift Values>> N :: 115.42(4.75) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 C Shift Assignments>> C :: 175.01281 CA :: 56.28836 CB :: 30.82876 CG :: 26.93256 CD :: 43.34237 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 :: 8.18379 HA :: 4.31678 HB2 :: 1.65705 HB3 :: 1.78418 HG2 :: 1.56492 HG3 :: 1.56492 HD2 :: 3.14882 HD3 :: 3.14882 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 :: 124.48070 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.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> CA :: 63.10530 CB :: 39.73557 CG1 :: 27.23284 CG2 :: 18.01214 CD1 :: 13.48162 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 :: 7.74533 HA :: 4.02048 HB :: 1.77087 HG12 :: 1.08197 HG13 :: 1.36597 HG21 :: 0.83556 HG22 :: 0.83556 HG23 :: 0.83556 HD11 :: 0.81311 HD12 :: 0.81311 HD13 :: 0.81311 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 :: 126.89065 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 507 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 798 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E7 HB2 = 0.44082(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4816e-14 1.E7 HB3 = 0.53641(S), Expected = 1.99, Std = 0.2300, ChiSquare = 2.6164e-10 1.G12 H = 5.33867(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1836e-06 1.S31 HA = 5.87569(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.8442e-04 1.Q38 H = 10.55671(S), Expected = 8.22, Std = 0.5900, ChiSquare = 7.4785e-05 1.L90 HA = 2.18165(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3727e-06 1.P112 HA = 3.16879(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.9077e-04