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>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.05 K 0.05 V 0.05 M 0.03 C Shift Assignments>> C :: 175.24850 CA :: 59.62307 CB :: 30.24682 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 :: 4.66152 HB2 :: 3.07230 HB3 :: 3.14212 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 0.08 C Shift Assignments>> C :: 175.92509 CA :: 55.95384 CB :: 32.46520 CG :: 31.64451 CE :: 16.67734 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 :: 8.37734 HA :: 4.30108 HB2 :: 1.75237 HB3 :: 1.81509 HG2 :: 2.27687 HG3 :: 2.27687 HE1 :: 1.39991 HE2 :: 1.39991 HE3 :: 1.39991 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 :: 121.98880 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 0.08 C Shift Assignments>> C :: 173.78580 CA :: 61.84982 CB :: 68.93918 CG2 :: 20.87129 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 :: 7.81211 HA :: 4.18903 HB :: 3.91683 HG21 :: 0.82427 HG22 :: 0.82427 HG23 :: 0.82427 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 :: 114.49990 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 :: 174.46660 CA :: 58.11010 CB :: 63.73552 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.20013 HA :: 4.36474 HB2 :: 3.73686 HB3 :: 3.79470 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 :: 118.34091 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 0.28 Q 0.17 K 0.16 I 0.03 R 0.02 HN Overlap>> 1.Q108 1.Q108 C Shift Assignments>> C :: 178.13431 CA :: 55.99636 CB :: 28.16456 CG :: 35.56208 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 :: 7.86012 HA :: 3.96351 HB2 :: 0.42546(S) HB3 :: 0.49360(S) HG2 :: 1.92633 HG3 :: 1.92633 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 :: 122.28366 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 0.41 K 0.06 G 0.03 L 0.01 C Shift Assignments>> C :: 174.92243 CA :: 57.61614 CB :: 29.60727 CG :: 27.43201 CD :: 42.99928 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 :: 8.82501 HA :: 4.02612 HB2 :: 1.54647 HB3 :: 1.88370 HG2 :: 1.54640 HG3 :: 1.73456 HD2 :: 3.11907 HD3 :: 3.11907 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 :: 120.48663 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 0.52 W 0.47 C Shift Assignments>> C :: 176.07751 CA :: 54.44769 CB :: 29.39285 CD1 :: 129.76792 CE3 :: 120.91571 CZ2 :: 115.18238 CZ3 :: 120.22301 CH2 :: 124.31575 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 :: 6.32085 HA :: 4.94898 HB2 :: 3.00646 HB3 :: 3.75184 HD1 :: 7.43582 HE1 :: 10.82605 HE3 :: 6.68703 HZ2 :: 7.53938 HZ3 :: 7.41795 HH2 :: 6.69199 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 :: 109.88102 NE1 :: 132.23882 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 0.56 F 0.43 C Shift Assignments>> C :: 175.08787 CA :: 57.54510 CB :: 38.97625 CD1 :: 132.38872 CD2 :: 132.38872 CE1 :: 132.64963 CE2 :: 132.64963 CZ :: 131.52384 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 :: 7.74597 HA :: 5.47473 HB2 :: 2.55026 HB3 :: 3.05297 HD1 :: 7.18451 HD2 :: 7.18451 HE1 :: 7.39586 HE2 :: 7.39586 HZ :: 7.77729 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 :: 123.66719 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 0.58 H 0.22 W 0.13 Y 0.05 C Shift Assignments>> C :: 175.22306 CA :: 56.54927 CB :: 33.81186 CD2 :: 117.79979 CE1 :: 135.56964 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 :: 9.19175 HA :: 4.21088 HB2 :: 2.54306 HB3 :: 3.27096 HD2 :: 7.40665 HE1 :: 7.26721 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 :: 126.11738 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 0.74 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.85116 CA :: 47.61752 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.35119(S) HA2 :: 3.34829 HA3 :: 3.74133 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.10300 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 0.34 W 0.33 C 0.31 C Shift Assignments>> C :: 172.70647 CA :: 56.28352 CB :: 27.65215 CD2 :: 119.90260 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 :: 8.86034 HA :: 4.56492 HB2 :: 3.08407 HB3 :: 3.33141 HD2 :: 7.05201 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 :: 127.03210 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 0.6 C 0.23 L 0.15 C Shift Assignments>> C :: 175.00056 CA :: 54.62399 CB :: 45.22138 CD1 :: 25.16723 CD2 :: 26.92695 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 :: 7.80115 HA :: 4.35576 HB2 :: 1.35818 HB3 :: 1.44530 HD11 :: 0.95439 HD12 :: 0.95439 HD13 :: 0.95439 HD21 :: 0.65540 HD22 :: 0.65540 HD23 :: 0.65540 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 :: 130.07440 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 :: 175.62286 CA :: 57.44215 CB :: 65.57425 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.92131 HA :: 4.44414 HB2 :: 3.96900 HB3 :: 4.29335 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 :: 123.23721 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 0.67 C 0.1 P 0.08 A 0.06 L 0.03 N 0.01 C Shift Assignments>> C :: 176.18563 CA :: 47.75338 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.99906 HA2 :: 3.32637 HA3 :: 3.51580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.03850 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 :: 179.94636 CA :: 58.91189 CB :: 32.19073 CG :: 24.75155 CD :: 28.72943 CE :: 41.99420 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 :: 8.24959 HA :: 4.01355 HB2 :: 1.70116 HB3 :: 1.76153 HG2 :: 1.40129 HG3 :: 1.47471 HD2 :: 1.65018 HD3 :: 1.65018 HE2 :: 2.94864 HE3 :: 2.94864 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 :: 120.76196 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 0.42 E 0.31 I 0.2 K 0.02 M 0.01 C Shift Assignments>> C :: 179.63415 CA :: 59.08271 CB :: 29.70860 CG :: 37.22152 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 :: 7.81354 HA :: 3.96262 HB2 :: 1.96839 HB3 :: 2.15097 HG2 :: 2.22073 HG3 :: 2.27932 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 :: 120.57533 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 0.43 I 0.03 C 0.03 HN Overlap>> 1.T50 1.T50 C Shift Assignments>> C :: 178.86248 CA :: 55.12411 CB :: 18.36191 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.79224 HA :: 3.84799 HB1 :: 1.40286 HB2 :: 1.40286 HB3 :: 1.40286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.16241 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 0.36 I 0.33 E 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.86057 CA :: 60.19866 CB :: 28.77341 CG :: 36.61014 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 :: 8.54260 HA :: 3.77751 HB2 :: 2.13288 HB3 :: 2.20307 HG2 :: 2.03745 HG3 :: 2.61032 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 :: 116.92268 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 0.48 K 0.45 R 0.04 C Shift Assignments>> C :: 178.08515 CA :: 60.01928 CB :: 32.49571 CG :: 24.58345 CD :: 29.33964 CE :: 41.91376 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 :: 7.79560 HA :: 3.99610 HB2 :: 1.83069 HB3 :: 1.92766 HG2 :: 1.44327 HG3 :: 1.44327 HD2 :: 1.64598 HD3 :: 1.64598 HE2 :: 2.95448 HE3 :: 2.95448 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 :: 122.55731 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 0.51 C 0.37 R 0.07 G 0.03 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 179.51089 CA :: 58.15033 CB :: 42.80084 CG :: 26.97414 CD1 :: 25.39331 CD2 :: 23.79959 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 :: 7.90181 HA :: 4.05139 HB2 :: 1.31451 HB3 :: 1.63257 HG :: 1.61668 HD11 :: 0.84510 HD12 :: 0.84510 HD13 :: 0.84510 HD21 :: 0.81772 HD22 :: 0.81772 HD23 :: 0.81772 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 :: 118.88356 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 0.38 L 0.33 R 0.25 G 0.01 C Shift Assignments>> C :: 179.66430 CA :: 57.83025 CB :: 42.50634 CG :: 27.88864 CD1 :: 26.52649 CD2 :: 23.72634 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 :: 8.40061 HA :: 3.63252 HB2 :: 0.98294 HB3 :: 1.80182 HG :: 1.48704 HD11 :: 0.49986 HD12 :: 0.49986 HD13 :: 0.49986 HD21 :: 0.56777 HD22 :: 0.56777 HD23 :: 0.56777 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 :: 116.44534 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 :: 175.15021 CA :: 66.28790 CB :: 68.80518 CG2 :: 21.67824 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 :: 8.17840 HA :: 3.80702 HB :: 4.26576 HG21 :: 1.16304 HG22 :: 1.16304 HG23 :: 1.16304 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 :: 115.18502 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 0.44 E 0.37 I 0.09 M 0.05 K 0.02 Q 0.01 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 178.70091 CA :: 59.05715 CB :: 30.56131 CG :: 36.76947 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 :: 8.22914 HA :: 4.16733 HB2 :: 1.97995 HB3 :: 2.10770 HG2 :: 2.19599 HG3 :: 2.51890 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 :: 119.27114 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 0.5 C 0.36 R 0.11 G 0.01 C Shift Assignments>> C :: 177.18603 CA :: 55.46178 CB :: 34.34386 CG :: 24.97580 CD :: 28.80367 CE :: 42.23512 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 :: 8.28385 HA :: 4.64245 HB2 :: 1.84796 HB3 :: 1.94266 HG2 :: 1.39946 HG3 :: 1.39946 HD2 :: 1.64087 HD3 :: 1.64087 HE2 :: 2.95889 HE3 :: 2.95889 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 :: 113.58443 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 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.97156 CA :: 43.86498 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.14472 HA2 :: 3.68468 HA3 :: 4.32153 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.77612 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 0.48 C 0.42 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 175.38588 CA :: 53.95425 CB :: 35.68773 CG :: 24.20844 CD :: 28.94692 CE :: 42.12944 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 :: 8.47665 HA :: 4.57001 HB2 :: 1.66634 HB3 :: 1.99645 HG2 :: 1.28021 HG3 :: 1.33068 HD2 :: 1.64711 HD3 :: 1.64711 HE2 :: 2.90071 HE3 :: 2.90071 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 :: 115.96569 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 0.48 W 0.29 H 0.21 C Shift Assignments>> C :: 177.74460 CA :: 60.52067 CB :: 30.53137 CD2 :: 118.43255 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 :: 9.07625 HA :: 3.99738 HB2 :: 2.95298 HB3 :: 3.04968 HD2 :: 6.86053 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 :: 121.16202 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 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.48104 CA :: 45.13334 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61144 HA2 :: 3.70117 HA3 :: 3.86533 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.16082 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 C Shift Assignments>> C :: 172.94717 CA :: 60.22372 CB :: 63.35177 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.73850 HA :: 5.87623(S) HB2 :: 3.75739 HB3 :: 3.89620 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 :: 120.72669 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 0.68 F 0.13 C 0.1 Y 0.07 C Shift Assignments>> C :: 171.10469 CA :: 55.01839 CB :: 44.53411 CZ :: 128.90441 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 :: 7.55052 HA :: 5.95129 HB2 :: 2.66587 HB3 :: 2.83346 HE1 :: 6.58191 HE2 :: 6.58191 HZ :: 6.68526 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 :: 116.63101 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 0.58 C 0.24 L 0.14 R 0.01 C Shift Assignments>> C :: 174.49622 CA :: 54.05583 CB :: 44.82272 CG :: 25.08789 CD1 :: 24.95762 CD2 :: 26.96723 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 :: 9.07146 HA :: 5.01094 HB2 :: 1.81124 HB3 :: 1.93464 HG :: 1.61801 HD11 :: 0.55769 HD12 :: 0.55769 HD13 :: 0.55769 HD21 :: 0.11844 HD22 :: 0.11844 HD23 :: 0.11844 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 :: 115.24263 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 0.66 V 0.33 C Shift Assignments>> C :: 173.21103 CA :: 60.52491 CB :: 34.57389 CG1 :: 22.68592 CG2 :: 23.41073 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 :: 9.32639 HA :: 5.75137 HB :: 2.39586 HG11 :: 1.32090 HG12 :: 1.32090 HG13 :: 1.32090 HG21 :: 0.91464 HG22 :: 0.91464 HG23 :: 0.91464 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 :: 119.92209 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 0.44 K 0.19 G 0.18 R 0.16 C Shift Assignments>> C :: 174.50331 CA :: 52.95373 CB :: 34.32870 CG :: 25.92609 CD :: 43.21000 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 :: 9.47099 HA :: 5.04486 HB2 :: 1.28951 HB3 :: 2.29076 HG2 :: 1.52667 HG3 :: 1.58133 HD2 :: 2.39886 HD3 :: 3.46467 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 :: 123.73832 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 0.41 E 0.4 M 0.09 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.63257 CA :: 57.11104 CB :: 30.66058 CG :: 36.98160 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 :: 8.67017 HA :: 4.33284 HB2 :: 1.87108 HB3 :: 2.03446 HG2 :: 2.60071 HG3 :: 2.60071 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 :: 120.47193 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 :: 176.39744 CA :: 57.44431 CB :: 63.38705 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.83703 HA :: 4.47117 HB2 :: 3.40944 HB3 :: 3.68252 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 :: 115.35423 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 0.28 Q 0.22 E 0.21 K 0.2 I 0.03 R 0.02 C Shift Assignments>> C :: 177.52749 CA :: 57.28966 CB :: 28.47882 CG :: 34.99965 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 :: 10.30706(S) HA :: 4.24337 HB2 :: 2.14102 HB3 :: 2.14102 HG2 :: 2.21358 HG3 :: 2.47144 HE21 :: 6.86614 HE22 :: 7.20577 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 :: 128.97968 NE2 :: 111.21554 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 :: 175.20772 CA :: 60.44997 CB :: 63.64267 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.43336 HA :: 4.23221 HB2 :: 3.82201 HB3 :: 3.93388 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 :: 116.88496 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 0.43 W 0.31 C 0.24 C Shift Assignments>> CA :: 53.08984 CB :: 28.70256 CD2 :: 119.90260 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 :: 8.22725 HA :: 4.79981 HB2 :: 3.05169 HB3 :: 3.35733 HD2 :: 7.22882 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 :: 123.69578 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 0.17 C Shift Assignments>> C :: 177.82965 CA :: 64.25473 CB :: 31.47943 CG :: 27.60807 CD :: 50.06625 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 :: 4.29629 HB2 :: 1.84868 HB3 :: 2.27038 HG2 :: 1.86003 HG3 :: 2.04508 HD2 :: 3.31077 HD3 :: 3.45924 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 0.01 F 0.01 C Shift Assignments>> C :: 173.12291 CA :: 45.17596 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.89643 HA2 :: 3.47003 HA3 :: 4.41797 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.90408 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 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 176.35524 CA :: 53.36522 CB :: 42.04189 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 :: 7.95554 HA :: 5.25970 HB2 :: 2.92784 HB3 :: 3.09624 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 :: 118.83761 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 0.6 G 0.23 C 0.16 C Shift Assignments>> C :: 173.11375 CA :: 57.04603 CB :: 43.75929 CD1 :: 131.08380 CD2 :: 131.08380 CE1 :: 131.23885 CE2 :: 131.23885 CZ :: 130.26519 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 :: 9.13904 HA :: 5.31240 HB2 :: 2.75526 HB3 :: 3.26529 HD1 :: 7.23480 HD2 :: 7.23480 HE1 :: 7.61826 HE2 :: 7.61826 HZ :: 7.41906 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 :: 118.01278 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 0.73 V 0.26 C Shift Assignments>> C :: 174.47624 CA :: 61.24163 CB :: 36.88226 CG1 :: 22.53751 CG2 :: 21.42049 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 :: 9.53423 HA :: 4.85380 HB :: 1.75036 HG11 :: 1.04542 HG12 :: 1.04542 HG13 :: 1.04542 HG21 :: 1.02908 HG22 :: 1.02908 HG23 :: 1.02908 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 :: 118.58148 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 0.41 G 0.36 C 0.16 R 0.04 C Shift Assignments>> C :: 174.88350 CA :: 53.41454 CB :: 44.46591 CG :: 27.18743 CD1 :: 24.51596 CD2 :: 25.92816 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 :: 9.37157 HA :: 5.08801 HB2 :: 1.27176 HB3 :: 1.73827 HG :: 1.35995 HD11 :: 0.52732 HD12 :: 0.52732 HD13 :: 0.52732 HD21 :: 0.47504 HD22 :: 0.47504 HD23 :: 0.47504 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 :: 129.55758 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 :: 172.78605 CA :: 58.95112 CB :: 64.69986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.07636 HA :: 5.34436 HB2 :: 3.29813 HB3 :: 3.29813 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 :: 125.39853 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 0.72 V 0.27 C Shift Assignments>> C :: 174.61650 CA :: 59.62450 CB :: 36.05058 CG1 :: 20.51222 CG2 :: 21.49864 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 :: 8.90463 HA :: 4.94263 HB :: 1.65469 HG11 :: 0.67984 HG12 :: 0.67984 HG13 :: 0.67984 HG21 :: 0.66755 HG22 :: 0.66755 HG23 :: 0.66755 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 :: 122.77251 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 0.46 C 0.32 K 0.14 G 0.06 C Shift Assignments>> C :: 173.97504 CA :: 55.14281 CB :: 31.66829 CG :: 27.87227 CD :: 43.32319 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 :: 9.06163 HA :: 4.97722 HB2 :: 1.41426 HB3 :: 2.16616 HG2 :: 1.41282 HG3 :: 1.57909 HD2 :: 2.58563 HD3 :: 2.89739 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 :: 128.64977 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 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 174.58656 CA :: 60.90015 CB :: 70.25275 CG2 :: 22.05970 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 :: 8.81619 HA :: 4.67283 HB :: 4.22938 HG21 :: 1.14046 HG22 :: 1.14046 HG23 :: 1.14046 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 :: 122.22361 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 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.11805 CA :: 45.01561 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.73719 HA2 :: 3.94146 HA3 :: 4.15681 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.74056 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 0.29 D 0.25 K 0.14 R 0.11 F 0.06 C 0.04 N 0.03 Y 0.03 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 176.15728 CA :: 54.01361 CB :: 42.27131 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 :: 8.39745 HA :: 4.61859 HB2 :: 2.56989 HB3 :: 2.66742 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 :: 120.65234 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 :: 176.47351 CA :: 54.93308 CB :: 41.03839 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 :: 8.54325 HA :: 4.51531 HB2 :: 2.59318 HB3 :: 2.69437 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 :: 120.68510 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 0.45 C 0.38 R 0.15 C Shift Assignments>> C :: 177.10097 CA :: 56.28747 CB :: 32.68763 CG :: 24.68296 CD :: 28.83935 CE :: 42.08464 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 :: 8.34870 HA :: 4.30828 HB2 :: 1.75565 HB3 :: 1.85402 HD2 :: 1.64259 HD3 :: 1.64259 HE2 :: 2.96508 HE3 :: 2.96508 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 :: 120.32686 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 :: 174.38043 CA :: 45.52355 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27165 HA2 :: 3.89371 HA3 :: 3.97653 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.27843 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 0.08 K 0.06 Q 0.05 I 0.03 HN Overlap>> 1.D52 1.D53 1.D52 1.D53 C Shift Assignments>> C :: 176.80555 CA :: 56.82215 CB :: 30.15928 CG :: 36.28237 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 :: 8.47006 HA :: 4.28231 HB2 :: 1.91469 HB3 :: 2.06124 HG2 :: 2.22337 HG3 :: 2.30647 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 :: 120.60798 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 HN Overlap>> 1.T102 1.T102 C Shift Assignments>> C :: 174.68116 CA :: 58.33704 CB :: 63.86416 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.37141 HA :: 4.44018 HB2 :: 3.83057 HB3 :: 3.87295 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 :: 115.66757 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 0.09 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 175.15021 CA :: 53.70571 CB :: 38.68172 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 :: 8.55944 HA :: 4.69830 HB2 :: 2.74237 HB3 :: 2.84792 HD21 :: 6.91033 HD22 :: 7.60088 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 :: 120.50606 ND2 :: 113.02867 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 0.32 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> C :: 176.82079 CA :: 54.35843 CB :: 40.98332 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 :: 8.24671 HA :: 4.53894 HB2 :: 2.62320 HB3 :: 2.73568 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 :: 119.20836 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 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.26722 CA :: 45.62183 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27417 HA2 :: 3.87603 HA3 :: 3.95548 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.55200 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 :: 176.58195 CA :: 56.06484 CB :: 33.21194 CG :: 24.73657 CD :: 28.88570 CE :: 42.13624 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 :: 8.00149 HA :: 4.37918 HB2 :: 1.74085 HB3 :: 1.81350 HG2 :: 1.38686 HG3 :: 1.38686 HD2 :: 1.63791 HD3 :: 1.63791 HE2 :: 2.96487 HE3 :: 2.96487 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 :: 120.42262 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 :: 174.04624 CA :: 58.25883 CB :: 64.23741 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.29832 HA :: 4.58052 HB2 :: 3.73277 HB3 :: 3.75994 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 :: 117.16208 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 0.51 C 0.41 R 0.06 C Shift Assignments>> C :: 174.89548 CA :: 55.98794 CB :: 34.38753 CG :: 24.50331 CD :: 29.10616 CE :: 42.05150 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 :: 8.61772 HA :: 4.38067 HB2 :: 1.63022 HB3 :: 1.77559 HG2 :: 1.30925 HG3 :: 1.30925 HD2 :: 1.60129 HD3 :: 1.60129 HE2 :: 2.89866 HE3 :: 2.89866 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 :: 122.98241 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 0.5 V 0.49 C Shift Assignments>> C :: 174.11343 CA :: 60.62636 CB :: 34.60839 CG1 :: 21.38686 CG2 :: 22.48380 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 :: 8.02751 HA :: 4.73452 HB :: 1.62744 HG11 :: 0.15966 HG12 :: 0.15966 HG13 :: 0.15966 HG21 :: 0.73655 HG22 :: 0.73655 HG23 :: 0.73655 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 :: 121.76966 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 :: 171.66110 CA :: 61.70164 CB :: 70.56419 CG2 :: 21.94693 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 :: 8.81865 HA :: 4.26301 HB :: 3.54834 HG21 :: 1.12206 HG22 :: 1.12206 HG23 :: 1.12206 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 :: 124.78547 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 0.39 C 0.32 W 0.27 C Shift Assignments>> C :: 173.99964 CA :: 54.63794 CB :: 32.98684 CD2 :: 121.09897 CE1 :: 137.67429 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 :: 8.91585 HA :: 5.13194 HB2 :: 2.38832 HB3 :: 2.77539 HD2 :: 6.94835 HE1 :: 7.30815 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 :: 126.19045 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 0.56 C 0.43 C Shift Assignments>> C :: 175.14604 CA :: 61.18930 CB :: 34.45138 CG1 :: 21.10988 CG2 :: 20.72310 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 :: 9.44441 HA :: 5.16241 HB :: 2.00742 HG11 :: 0.89010 HG12 :: 0.89010 HG13 :: 0.89010 HG21 :: 0.72502 HG22 :: 0.72502 HG23 :: 0.72502 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.75767 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 0.18 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 175.00495 CA :: 56.20605 CB :: 32.39165 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 :: 8.98894 HA :: 4.50785 HB2 :: 1.94254 HB3 :: 1.94254 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 :: 127.68229 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 0.55 C 0.43 C Shift Assignments>> C :: 175.49554 CA :: 59.99622 CB :: 39.54762 CG1 :: 26.11418 CG2 :: 18.76125 CD1 :: 15.19512 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 :: 9.13858 HA :: 4.56076 HB :: 1.76941 HG12 :: 0.73686 HG13 :: 1.69034 HG21 :: 0.98566 HG22 :: 0.98566 HG23 :: 0.98566 HD11 :: 0.73386 HD12 :: 0.73386 HD13 :: 0.73386 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 :: 126.35460 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 0.48 C 0.37 G 0.07 K 0.06 C Shift Assignments>> C :: 175.74963 CA :: 55.78950 CB :: 31.48479 CG :: 26.78777 CD :: 43.45244 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 :: 8.76622 HA :: 4.36240 HB2 :: 1.80928 HB3 :: 1.86804 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 :: 127.39737 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 0.14 R 0.14 K 0.13 C 0.13 W 0.11 H 0.1 E 0.09 L 0.07 I 0.04 M 0.01 C Shift Assignments>> C :: 174.64216 CA :: 57.05709 CB :: 28.07723 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.79852 HA :: 5.06850 HB2 :: 2.72386 HB3 :: 3.20485 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 :: 125.11549 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 :: 175.11538 CA :: 55.03304 CB :: 31.50303 CG :: 33.83778 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 :: 8.62400 HA :: 4.59306 HB2 :: 1.85335 HB3 :: 1.93458 HG2 :: 2.17879 HG3 :: 2.23872 HE21 :: 6.69744 HE22 :: 7.64802 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 :: 127.72949 NE2 :: 111.70032 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 0.42 E 0.29 I 0.19 K 0.04 Q 0.02 L 0.01 C Shift Assignments>> C :: 174.91424 CA :: 57.33698 CB :: 27.56478 CG :: 36.77540 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 :: 9.33851 HA :: 3.75643 HB2 :: 1.92494 HB3 :: 2.09330 HG2 :: 2.16071 HG3 :: 2.16071 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 :: 125.13770 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 :: 175.21852 CA :: 56.58499 CB :: 39.31479 CG :: 27.18267 CD1 :: 25.34017 CD2 :: 22.82345 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 :: 8.34884 HA :: 3.46151 HB2 :: 1.63515 HB3 :: 2.08606 HG :: 1.45415 HD11 :: 0.87115 HD12 :: 0.87115 HD13 :: 0.87115 HD21 :: 0.82200 HD22 :: 0.82200 HD23 :: 0.82200 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 :: 109.22898 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 0.42 K 0.33 R 0.2 G 0.03 C Shift Assignments>> C :: 175.59474 CA :: 54.04267 CB :: 36.31515 CG :: 25.01806 CD :: 29.04843 CE :: 42.41752 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 :: 7.54811 HA :: 4.91795 HB2 :: 1.56675 HB3 :: 1.74451 HG2 :: 1.33077 HG3 :: 1.40154 HD2 :: 1.35433 HD3 :: 1.58229 HE2 :: 2.89677 HE3 :: 2.89677 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 :: 118.08647 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 C Shift Assignments>> C :: 176.25277 CA :: 56.97686 CB :: 41.74418 CD1 :: 132.39037 CD2 :: 132.39037 CE1 :: 118.52179 CE2 :: 118.52179 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 :: 9.34771 HA :: 5.73871 HB2 :: 2.55022 HB3 :: 2.74194 HD1 :: 6.86956 HD2 :: 6.86956 HE1 :: 6.72272 HE2 :: 6.72272 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 :: 120.16489 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 :: 174.37416 CA :: 54.24669 CB :: 45.71304 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 :: 9.23917 HA :: 5.22595 HB2 :: 2.82021 HB3 :: 2.86563 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 :: 119.72156 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 0.54 V 0.45 C Shift Assignments>> C :: 176.72941 CA :: 60.13077 CB :: 31.47075 CG1 :: 22.55672 CG2 :: 20.31429 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 :: 8.68811 HA :: 5.04158 HB :: 2.39187 HG11 :: 0.80818 HG12 :: 0.80818 HG13 :: 0.80818 HG21 :: 0.76224 HG22 :: 0.76224 HG23 :: 0.76224 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 :: 113.96908 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 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 174.96996 CA :: 45.63839 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.39393 HA2 :: 3.65318 HA3 :: 4.22230 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.12016 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 0.66 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.37860 CA :: 44.78439 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.13634 HA2 :: 3.91656 HA3 :: 4.14192 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.09169 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 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.26572 CA :: 45.20486 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.54565 HA2 :: 3.85180 HA3 :: 4.03413 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.47017 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 0.34 C 0.29 M 0.17 Q 0.11 K 0.05 C Shift Assignments>> C :: 174.24347 CA :: 56.18848 CB :: 30.64716 CG :: 35.69775 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 :: 8.01886 HA :: 4.03015 HB2 :: 1.39034 HB3 :: 1.61343 HG2 :: 1.86231 HG3 :: 1.86231 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 :: 120.62463 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>> R 0.39 C 0.38 G 0.19 K 0.03 C Shift Assignments>> C :: 175.87650 CA :: 54.25159 CB :: 33.04234 CG :: 26.91118 CD :: 43.80165 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 :: 7.94215 HA :: 4.91281 HB2 :: 1.55870 HB3 :: 1.55870 HG2 :: 1.46579 HG3 :: 1.55408 HD2 :: 3.01482 HD3 :: 3.07409 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 :: 119.77119 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 0.25 C 0.15 C Shift Assignments>> C :: 176.28935 CA :: 57.55644 CB :: 43.88344 CD1 :: 131.41458 CD2 :: 131.41458 CE1 :: 131.81960 CE2 :: 131.81960 CZ :: 129.20738 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 :: 9.36662 HA :: 4.88235 HB2 :: 2.77202 HB3 :: 3.40152 HD1 :: 7.30311 HD2 :: 7.30311 HE1 :: 6.97678 HE2 :: 6.97678 HZ :: 5.93360 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 :: 119.24933 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 0.09 R 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 175.48829 CA :: 56.07955 CB :: 41.78997 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 :: 10.01134 HA :: 4.87410 HB2 :: 2.74570 HB3 :: 2.93443 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 :: 121.04374 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 :: 173.96069 CA :: 56.33126 CB :: 66.48736 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.57404 HA :: 4.66745 HB2 :: 3.99126 HB3 :: 4.16677 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 :: 108.69110 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 0.69 C 0.28 G 0.01 C Shift Assignments>> C :: 178.35703 CA :: 57.01710 CB :: 42.10741 CD1 :: 24.70489 CD2 :: 24.19359 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 :: 8.63171 HA :: 3.60702 HB2 :: 1.16748 HB3 :: 1.51819 HD11 :: 0.08366 HD12 :: 0.08366 HD13 :: 0.08366 HD21 :: 0.32735 HD22 :: 0.32735 HD23 :: 0.32735 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 :: 121.79691 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 0.97 C 0.02 C Shift Assignments>> C :: 175.26708 CA :: 67.11674 CB :: 68.79123 CG2 :: 22.11816 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 :: 7.93306 HA :: 4.08858 HB :: 4.03811 HG21 :: 1.36966 HG22 :: 1.36966 HG23 :: 1.36966 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 :: 114.77402 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 0.24 Y 0.21 L 0.14 D 0.12 C 0.1 K 0.09 I 0.04 N 0.01 C Shift Assignments>> C :: 177.97981 CA :: 57.24163 CB :: 40.68733 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 :: 7.77824 HA :: 4.23346 HB2 :: 2.78129 HB3 :: 2.91749 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 :: 121.08249 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 0.52 R 0.32 K 0.07 L 0.07 G 0.01 C Shift Assignments>> C :: 177.28720 CA :: 58.98745 CB :: 42.18672 CG :: 27.39307 CD1 :: 28.65485 CD2 :: 24.16880 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 :: 6.98810 HA :: 2.18114(S) HB2 :: 1.21612 HB3 :: 1.66117 HG :: 1.37553 HD11 :: 0.91423 HD12 :: 0.91423 HD13 :: 0.91423 HD21 :: 0.54759 HD22 :: 0.54759 HD23 :: 0.54759 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 :: 122.53994 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 :: 177.28168 CA :: 67.20697 CB :: 31.43070 CG1 :: 21.07831 CG2 :: 22.28189 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 :: 8.01845 HA :: 2.78959 HB :: 1.59733 HG11 :: -1.78960e-04 HG12 :: -1.78960e-04 HG13 :: -1.78960e-04 HG21 :: -0.08802 HG22 :: -0.08802 HG23 :: -0.08802 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 :: 120.00853 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 0.34 E 0.33 I 0.16 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.71117 CA :: 58.99601 CB :: 29.00229 CG :: 36.18982 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 :: 8.28739 HA :: 3.74231 HB2 :: 1.97686 HB3 :: 1.97686 HG2 :: 2.35859 HG3 :: 2.45876 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 :: 115.94455 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 0.24 W 0.16 V 0.13 E 0.08 R 0.08 I 0.06 H 0.06 P 0.04 K 0.03 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.53932 CA :: 60.63996 CB :: 30.65026 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 :: 7.71578 HA :: 3.98701 HB2 :: 2.65067 HB3 :: 2.82676 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 :: 118.31755 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 0.52 C 0.47 C Shift Assignments>> C :: 176.53219 CA :: 61.09684 CB :: 37.04847 CD1 :: 133.70617 CD2 :: 133.70617 CE1 :: 118.03879 CE2 :: 118.03879 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 :: 7.71322 HA :: 4.01670 HB2 :: 2.21622 HB3 :: 3.21572 HD1 :: 7.25013 HD2 :: 7.25013 HE1 :: 6.81725 HE2 :: 6.81725 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 :: 117.34992 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 :: 178.21054 CA :: 58.96369 CB :: 33.12659 CG :: 25.41789 CD :: 30.14820 CE :: 41.45539 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 :: 7.82928 HA :: 4.19290 HB2 :: 1.69447 HB3 :: 1.79079 HG2 :: 1.11886 HG3 :: 1.11886 HD2 :: 1.50204 HD3 :: 1.50204 HE2 :: 2.73198 HE3 :: 2.84655 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 :: 119.86214 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 0.42 R 0.08 C Shift Assignments>> C :: 175.51309 CA :: 56.82431 CB :: 34.20303 CG :: 24.84240 CD :: 29.00225 CE :: 42.09138 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 :: 6.88950 HA :: 4.21512 HB2 :: 1.61561 HB3 :: 1.73744 HG2 :: 1.31413 HG3 :: 1.31413 HD2 :: 1.60155 HD3 :: 1.60155 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 :: 116.34040 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>> N 0.43 D 0.32 L 0.09 C 0.07 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.47163 CB :: 40.45572 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 :: 7.58897 HA :: 5.00775 HB2 :: 1.90277 HB3 :: 2.29146 HD21 :: 6.44308 HD22 :: 6.89660 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 :: 118.23283 ND2 :: 115.58595 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 0.73 C 0.26 C Shift Assignments>> C :: 177.04401 CA :: 63.06882 CB :: 32.54676 CG :: 27.01521 CD :: 50.18230 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 :: 4.60179 HB2 :: 1.72480 HB3 :: 2.13447 HG2 :: 1.95221 HG3 :: 1.95221 HD2 :: 3.54017 HD3 :: 3.66678 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 0.47 C 0.4 A 0.11 C Shift Assignments>> C :: 174.55535 CA :: 55.79149 CB :: 35.30471 CG :: 32.19643 CE :: 16.97413 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 :: 8.65675 HA :: 3.97572 HB2 :: 1.85327 HB3 :: 1.85327 HG2 :: 1.99277 HG3 :: 2.13532 HE1 :: 1.89884 HE2 :: 1.89884 HE3 :: 1.89884 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 :: 121.16264 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 0.62 C 0.37 C Shift Assignments>> C :: 175.84699 CA :: 61.67058 CB :: 33.37496 CG1 :: 20.92095 CG2 :: 20.92095 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 :: 8.37448 HA :: 4.45784 HB :: 1.96545 HG11 :: 0.90531 HG12 :: 0.90531 HG13 :: 0.90531 HG21 :: 0.90531 HG22 :: 0.90531 HG23 :: 0.90531 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 :: 122.20262 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 0.39 C 0.35 M 0.16 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 177.69371 CA :: 56.40996 CB :: 30.88039 CG :: 36.39298 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 :: 8.64556 HA :: 4.52834 HB2 :: 2.06453 HB3 :: 2.06453 HG2 :: 2.07675 HG3 :: 2.32053 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 :: 125.36605 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 0.96 C 0.03 HN Overlap>> 1.S57 1.S57 C Shift Assignments>> C :: 175.28778 CA :: 64.82997 CB :: 69.16331 CG2 :: 21.81863 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 :: 8.36256 HA :: 4.07744 HB :: 4.09374 HG21 :: 1.22325 HG22 :: 1.22325 HG23 :: 1.22325 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 :: 115.59864 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 0.62 C 0.33 A 0.02 C Shift Assignments>> C :: 178.15221 CA :: 55.83800 CB :: 41.03726 CG :: 27.15186 CD1 :: 25.15305 CD2 :: 22.96013 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 :: 8.20206 HA :: 4.28964 HB2 :: 1.65975 HB3 :: 1.89016 HG :: 1.63647 HD11 :: 0.90662 HD12 :: 0.90662 HD13 :: 0.90662 HD21 :: 0.85422 HD22 :: 0.85422 HD23 :: 0.85422 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 :: 119.93242 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 C Shift Assignments>> C :: 174.42284 CA :: 45.47735 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.21485 HA2 :: 3.61816 HA3 :: 4.25014 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.60125 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 0.9 C 0.09 C Shift Assignments>> C :: 173.00375 CA :: 62.49567 CB :: 69.56851 CG2 :: 21.98055 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 :: 7.83100 HA :: 4.27140 HB :: 4.09471 HG21 :: 1.12874 HG22 :: 1.12874 HG23 :: 1.12874 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 :: 115.85472 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 :: 175.81276 CA :: 61.77182 CB :: 33.16041 CG1 :: 21.54262 CG2 :: 21.00328 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 :: 8.40693 HA :: 4.50678 HB :: 1.95806 HG11 :: 0.85456 HG12 :: 0.85456 HG13 :: 0.85456 HG21 :: 0.88128 HG22 :: 0.88128 HG23 :: 0.88128 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 :: 123.48758 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 0.74 C 0.17 R 0.03 G 0.03 A 0.01 C Shift Assignments>> C :: 174.46649 CA :: 53.53853 CB :: 42.61539 CG :: 26.67106 CD1 :: 25.23698 CD2 :: 24.38692 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 :: 8.95171 HA :: 4.45208 HB2 :: 1.20568 HB3 :: 1.55476 HG :: 1.36410 HD11 :: 0.62653 HD12 :: 0.62653 HD13 :: 0.62653 HD21 :: 0.61540 HD22 :: 0.61540 HD23 :: 0.61540 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 :: 128.75885 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 0.29 Q 0.28 C 0.24 K 0.09 E 0.07 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 174.34955 CA :: 54.98898 CB :: 30.86890 CG :: 33.97550 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 :: 7.88479 HA :: 4.42350 HB2 :: 1.78710 HB3 :: 1.78710 HG2 :: 2.11622 HG3 :: 2.11622 HE21 :: 6.65920 HE22 :: 7.42456 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 :: 122.37939 NE2 :: 111.85606 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.71 C 0.23 A 0.04 C Shift Assignments>> C :: 176.52820 CA :: 54.20845 CB :: 40.34824 CG :: 26.55964 CD1 :: 24.74351 CD2 :: 23.30447 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 :: 8.52237 HA :: 4.12682 HB2 :: 0.45289(S) HB3 :: 1.28299 HG :: 1.22671 HD11 :: 0.03626 HD12 :: 0.03626 HD13 :: 0.03626 HD21 :: 0.08021 HD22 :: 0.08021 HD23 :: 0.08021 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 :: 124.00456 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 :: 176.01170 CA :: 57.21041 CB :: 33.28196 CG :: 25.15560 CD :: 28.59517 CE :: 41.92898 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 :: 9.18369 HA :: 4.48518 HB2 :: 1.64248 HB3 :: 1.89045 HG2 :: 1.31758 HG3 :: 1.39269 HD2 :: 1.71270 HD3 :: 1.71270 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 :: 122.35393 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 0.31 C 0.23 Q 0.19 M 0.13 R 0.11 C Shift Assignments>> CA :: 53.34138 CB :: 28.95932 CG :: 32.32340 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 :: 7.50951 HA :: 4.92835 HB2 :: 1.90163 HB3 :: 2.30841 HG2 :: 2.29934 HG3 :: 2.29934 HE21 :: 6.66049 HE22 :: 7.32832 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 :: 115.31728 NE2 :: 112.44831 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 0.52 C 0.47 C Shift Assignments>> C :: 176.61375 CA :: 61.54971 CB :: 32.91627 CG :: 27.09962 CD :: 50.42640 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 :: 3.16450(S) HB2 :: 1.69937 HB3 :: 1.77738 HG2 :: 2.03845 HG3 :: 2.12002 HD2 :: 3.62565 HD3 :: 3.81268 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 0.55 C 0.3 R 0.11 C Shift Assignments>> C :: 175.50570 CA :: 53.82339 CB :: 41.67976 CG :: 28.10009 CD1 :: 25.14451 CD2 :: 26.14023 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 :: 8.60590 HA :: 4.54304 HB2 :: 1.02273 HB3 :: 1.77195 HG :: 1.46395 HD11 :: 0.74786 HD12 :: 0.74786 HD13 :: 0.74786 HD21 :: 0.70890 HD22 :: 0.70890 HD23 :: 0.70890 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 :: 125.66928 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 0.45 D 0.25 L 0.07 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 176.98002 CA :: 52.87761 CB :: 39.48597 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 :: 8.53884 HA :: 4.88598 HB2 :: 2.59286 HB3 :: 2.62427 HD21 :: 6.53358 HD22 :: 7.36444 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 :: 125.22260 ND2 :: 109.63665 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 0.9 C 0.09 C Shift Assignments>> C :: 174.41764 CA :: 61.39322 CB :: 69.48182 CG2 :: 20.76661 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 :: 8.51712 HA :: 3.92548 HB :: 3.62032 HG21 :: 0.72311 HG22 :: 0.72311 HG23 :: 0.72311 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 :: 113.94809 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 0.88 C 0.11 HN Overlap>> 1.T24 1.T24 C Shift Assignments>> C :: 174.48653 CA :: 61.72269 CB :: 69.52493 CG2 :: 21.85772 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 :: 8.24444 HA :: 4.29824 HB :: 4.24301 HG21 :: 1.16376 HG22 :: 1.16376 HG23 :: 1.16376 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 :: 115.14560 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 :: 175.01895 CA :: 56.23489 CB :: 30.85081 CG :: 26.89760 CD :: 43.34790 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 :: 8.17035 HA :: 4.31414 HB2 :: 1.68960 HB3 :: 1.79400 HG2 :: 1.56226 HG3 :: 1.65891 HD2 :: 3.14405 HD3 :: 3.14405 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 :: 124.43022 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 0.78 C 0.21 C Shift Assignments>> CA :: 62.87048 CB :: 39.55738 CG1 :: 27.23494 CG2 :: 18.00049 CD1 :: 13.46508 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 :: 7.76361 HA :: 4.01883 HB :: 1.76887 HG12 :: 1.07809 HG13 :: 1.36112 HG21 :: 0.83777 HG22 :: 0.83777 HG23 :: 0.83777 HD11 :: 0.81886 HD12 :: 0.81886 HD13 :: 0.81886 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 :: 126.95315 Ave N Shift Values>> N :: 121.46(4.28) 2.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Y6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 0 C Shift Results: #Consistent: 504 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 783 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E7 HB2 = 0.42546(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.1247e-14 1.E7 HB3 = 0.49360(S), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7134e-11 1.G12 H = 5.35119(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5882e-06 1.S31 HA = 5.87623(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.8198e-04 1.Q38 H = 10.30706(S), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0410e-04 1.L90 HA = 2.18114(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3451e-06 1.L109 HB2 = 0.45289(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.6586e-04 1.P112 HA = 3.16450(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.8116e-04