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.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.957 CA :: 45.372 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.37 A 0.16 C Shift Assignments>> C :: 175.780 CA :: 55.302 CB :: 33.292 CG :: 32.047 CE :: 17.046 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.110 HA :: 4.444 HB2 :: 2.047 HB3 :: 1.963 HG2 :: 2.510 HG3 :: 2.510 HE1 :: 2.086 HE2 :: 2.086 HE3 :: 2.086 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.530 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 176.757 CA :: 52.154 CB :: 19.405 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.335 HA :: 4.346 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.769 Ave N Shift Values>> N :: 123.23(3.7) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 175.133 CA :: 50.432 CB :: 18.363 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.184 HA :: 4.596 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.159 Ave N Shift Values>> N :: 123.23(3.7) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.745 CA :: 62.727 CB :: 32.401 CG :: 27.171 CD :: 50.327 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.501 HB2 :: 1.716 HB3 :: 2.181 HG2 :: 1.955 HG3 :: 1.955 HD2 :: 3.778 HD3 :: 3.635 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.31 C 0.23 R 0.06 C Shift Assignments>> C :: 175.050 CA :: 54.767 CB :: 44.568 CG :: 27.174 CD1 :: 25.914 CD2 :: 25.653 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.240 HA :: 4.489 HB2 :: 1.407 HB3 :: 1.407 HG :: 1.389 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.704 HD22 :: 0.704 HD23 :: 0.704 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.459 Ave N Shift Values>> N :: 121.98(4.07) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.13 R 0.12 W 0.12 C 0.11 E 0.11 H 0.11 I 0.05 L 0.04 M 0.01 C Shift Assignments>> C :: 174.121 CA :: 57.728 CB :: 28.452 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.838 HA :: 5.246 HB2 :: 2.762 HB3 :: 2.762 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.981 Ave N Shift Values>> N :: 119.95(4.79) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.2 I 0.04 A 0.01 C Shift Assignments>> C :: 173.998 CA :: 59.044 CB :: 35.398 CG1 :: 22.507 CG2 :: 19.122 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.598 HA :: 4.726 HB :: 1.962 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.472 HG22 :: 0.472 HG23 :: 0.472 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.898 Ave N Shift Values>> N :: 121.02(4.96) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.18 M 0.02 C Shift Assignments>> C :: 174.814 CA :: 55.369 CB :: 33.323 CG :: 25.112 CD :: 29.333 CE :: 41.918 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.777 HA :: 4.872 HB2 :: 1.850 HB3 :: 1.715 HG2 :: 1.293 HG3 :: 1.366 HD2 :: 1.631 HD3 :: 1.631 HE2 :: 2.882 HE3 :: 2.882 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.451 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 173.646 CA :: 60.266 CB :: 34.615 CG1 :: 23.044 CG2 :: 22.407 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.606 HA :: 4.898 HB :: 1.634 HG11 :: 0.493 HG12 :: 0.493 HG13 :: 0.493 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.610 Ave N Shift Values>> N :: 121.02(4.96) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.21 E 0.09 C Shift Assignments>> C :: 173.111 CA :: 53.008 CB :: 33.258 CG :: 36.839 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.833 HA :: 5.545 HB2 :: 1.757 HB3 :: 1.801 HG2 :: 2.107 HG3 :: 1.977 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.223 Ave N Shift Values>> N :: 120.68(3.68) 1.F18 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.32 G 0.03 C Shift Assignments>> C :: 176.148 CA :: 56.098 CB :: 42.553 CD1 :: 130.679 CD2 :: 130.679 CE1 :: 130.674 CE2 :: 130.674 CZ :: 128.590 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.894 HA :: 5.736 HB2 :: 2.681 HB3 :: 2.968 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 5.918 HE2 :: 5.918 HZ :: 5.710 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.563 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HZ > HA : 0.9931) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.631 CA :: 44.732 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.222 HA2 :: 5.105 HA3 :: 3.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.438 Ave N Shift Values>> N :: 109.91(4.29) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 173.357 CA :: 46.414 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.296 HA2 :: 4.037 HA3 :: 4.621 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.942 Ave N Shift Values>> N :: 109.91(4.29) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 177.587 CA :: 44.515 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.302 HA2 :: 3.494 HA3 :: 4.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.200 Ave N Shift Values>> N :: 109.91(4.29) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 178.277 CA :: 54.890 CB :: 17.512 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.918 HA :: 4.177 HB1 :: 1.819 HB2 :: 1.819 HB3 :: 1.819 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.541 Ave N Shift Values>> N :: 123.23(3.7) 1.E23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 Q 0.18 K 0.14 E 0.09 I 0.08 R 0.06 C Shift Assignments>> C :: 178.451 CA :: 58.920 CB :: 26.848 CG :: 34.507 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 11.034(S) HA :: 4.022 HB2 :: 2.248 HB3 :: 1.547 HG2 :: 2.047 HG3 :: 2.345 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.424 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.45 A 0.02 R 0.01 C Shift Assignments>> C :: 178.041 CA :: 56.823 CB :: 40.327 CG :: 27.423 CD1 :: 24.919 CD2 :: 22.197 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.687 HA :: 4.016 HB2 :: 1.818 HB3 :: 1.582 HG :: 1.653 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.647 Ave N Shift Values>> N :: 121.98(4.07) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.4 A 0.07 C Shift Assignments>> C :: 174.546 CA :: 54.858 CB :: 39.809 CG :: 27.174 CD1 :: 25.733 CD2 :: 22.546 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.623 HA :: 3.938 HB2 :: 1.219 HB3 :: 0.858 HG :: 1.571 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.797 Ave N Shift Values>> N :: 121.98(4.07) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 176.907 CA :: 56.247 CB :: 38.995 CD1 :: 132.087 CD2 :: 132.087 CE1 :: 129.983 CE2 :: 129.983 CZ :: 128.245 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.189 HA :: 4.353 HB2 :: 3.109 HB3 :: 2.552 HD1 :: 6.445 HD2 :: 6.445 HE1 :: 5.853 HE2 :: 5.853 HZ :: 5.093 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.324 Ave N Shift Values>> N :: 120.69(4.18) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.14 F 0.14 C 0.13 Y 0.13 N 0.09 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 175.328 CA :: 55.384 CB :: 40.455 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.013 HA :: 4.444 HB2 :: 3.201 HB3 :: 2.602 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.159 Ave N Shift Values>> N :: 120.73(4.2) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.486 CA :: 45.680 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.816 HA2 :: 4.199 HA3 :: 3.082 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.758 Ave N Shift Values>> N :: 109.91(4.29) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.414 CA :: 63.033 CB :: 31.613 CG1 :: 21.302 CG2 :: 21.108 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.476 HA :: 3.945 HB :: 2.279 HG11 :: 0.607 HG12 :: 0.607 HG13 :: 0.607 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 121.02(4.96) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 K 0.25 G 0.01 C Shift Assignments>> C :: 176.501 CA :: 60.195 CB :: 34.299 CG :: 26.541 CD :: 29.640 CE :: 42.107 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.481 HA :: 4.458 HB2 :: 2.202 HB3 :: 1.843 HG2 :: 1.548 HG3 :: 1.672 HD2 :: 1.837 HD3 :: 1.911 HE2 :: 3.070 HE3 :: 3.092 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.267 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.21 C Shift Assignments>> C :: 175.002 CA :: 56.682 CB :: 34.807 CG :: 25.518 CD :: 28.916 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.639 HA :: 4.877 HB2 :: 1.648 HB3 :: 1.756 HG2 :: 1.214 HG3 :: 1.329 HD2 :: 1.620 HD3 :: 1.747 HE2 :: 2.910 HE3 :: 2.910 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.28 W 0.17 C Shift Assignments>> C :: 174.325 CA :: 55.137 CB :: 33.834 CD2 :: 118.548 CE1 :: 137.593 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.081 HA :: 4.543 HB2 :: 2.869 HB3 :: 2.869 HD2 :: 6.836 HE1 :: 8.145 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.188 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.15 M 0.06 R 0.03 C Shift Assignments>> C :: 174.972 CA :: 55.754 CB :: 29.187 CG :: 34.268 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.987 HA :: 4.712 HB2 :: 2.027 HB3 :: 1.962 HG2 :: 2.193 HG3 :: 2.193 HE21 :: 7.388 HE22 :: 6.788 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.260 NE2 :: 111.339 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V34 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 :: 172.951 CA :: 61.388 CB :: 34.081 CG1 :: 20.703 CG2 :: 20.551 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.771 HA :: 4.156 HB :: 1.661 HG11 :: 0.065 HG12 :: 0.065 HG13 :: 0.065 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.254 Ave N Shift Values>> N :: 121.02(4.96) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.02 C Shift Assignments>> C :: 175.914 CA :: 50.037 CB :: 18.782 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.119 HA :: 4.768 HB1 :: 1.181 HB2 :: 1.181 HB3 :: 1.181 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.355 Ave N Shift Values>> N :: 123.23(3.7) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.77 C 0.2 L 0.02 C Shift Assignments>> C :: 174.818 CA :: 51.178 CB :: 39.416 CG :: 24.964 CD1 :: 24.636 CD2 :: 19.954 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.537 HA :: 3.879 HB2 :: 0.831 HB3 :: -0.479(S) HG :: 0.592 HD11 :: -0.385(S) HD12 :: -0.385(S) HD13 :: -0.385(S) HD21 :: -1.249(S) HD22 :: -1.249(S) HD23 :: -1.249(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.291 Ave N Shift Values>> N :: 121.98(4.07) 1.P37 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 :: 176.959 CA :: 62.233 CB :: 32.542 CG :: 27.308 CD :: 50.307 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.473 HB2 :: 2.243 HB3 :: 2.405 HG2 :: 2.343 HG3 :: 2.411 HD2 :: 3.539 HD3 :: 3.825 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 173.889 CA :: 46.172 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.565 HA2 :: 3.606 HA3 :: 4.140 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.318 Ave N Shift Values>> N :: 109.91(4.29) 1.Q39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 M 0.26 K 0.21 R 0.13 Q 0.03 C Shift Assignments>> C :: 174.726 CA :: 54.520 CB :: 30.194 CG :: 31.051 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.324 HA :: 4.712 HB2 :: 2.283 HB3 :: 1.871 HG2 :: 2.245 HG3 :: 2.245 HE21 :: 6.242 HE22 :: 5.157(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.739 NE2 :: 108.588 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.19 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 177.057 CA :: 59.167 CB :: 30.014 CG :: 36.654 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.576 HA :: 4.059 HB2 :: 1.953 HB3 :: 2.011 HG2 :: 2.295 HG3 :: 2.258 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.401 Ave N Shift Values>> N :: 120.68(3.68) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.28 K 0.15 Q 0.09 M 0.04 I 0.01 C Shift Assignments>> C :: 174.091 CA :: 53.880 CB :: 29.041 CG :: 35.885 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.795 HA :: 4.562 HB2 :: 1.629 HB3 :: 1.819 HG2 :: 2.162 HG3 :: 2.162 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.246 Ave N Shift Values>> N :: 120.68(3.68) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.900 CA :: 62.809 CB :: 32.076 CG :: 27.703 CD :: 50.389 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.334 HB2 :: 2.268 HB3 :: 1.665 HG2 :: 1.954 HG3 :: 2.042 HD2 :: 3.529 HD3 :: 3.853 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.44 H 0.03 C Shift Assignments>> C :: 175.894 CA :: 58.674 CB :: 29.969 CD1 :: 126.855 CE3 :: 119.155 CZ2 :: 115.406 CZ3 :: 121.508 CH2 :: 124.832 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.648 HA :: 4.402 HB2 :: 2.996 HB3 :: 2.996 HD1 :: 7.311 HE1 :: 10.246 HE3 :: 7.347 HZ2 :: 7.409 HZ3 :: 7.035 HH2 :: 7.308 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.614 NE1 :: 129.187 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.23 G 0.22 D 0.17 C 0.14 R 0.11 N 0.03 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.603 CA :: 51.395 CB :: 43.200 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.140 HA :: 5.766(S) HB2 :: 3.283 HB3 :: 2.544 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.917 Ave N Shift Values>> N :: 120.73(4.2) 1.I45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.59 C 0.39 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> C :: 177.508 CA :: 63.792 CB :: 34.844 CG1 :: 29.056 CG2 :: 17.901 CD1 :: 10.580 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.935 HA :: 4.157 HB :: 2.836(A) HG12 :: 2.160 HG13 :: 1.993 HG21 :: 1.363 HG22 :: 1.363 HG23 :: 1.363 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 121.6(4.72) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 K 0.13 G 0.09 C Shift Assignments>> C :: 179.027 CA :: 61.255 CB :: 30.908 CG :: 28.922 CD :: 43.069 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.754 HA :: 4.019 HB2 :: 2.193 HB3 :: 2.090 HG2 :: 1.623 HG3 :: 1.744 HD2 :: 3.346 HD3 :: 3.473 HE :: 7.664 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.189 NE :: 83.500 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.2 D 0.1 N 0.08 I 0.05 L 0.04 E 0.04 C Shift Assignments>> C :: 179.462 CA :: 56.453 CB :: 38.894 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.113 HA :: 4.810 HB2 :: 2.889 HB3 :: 3.064 HD21 :: 6.973 HD22 :: 8.012 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.613 ND2 :: 113.595 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.3 R 0.17 K 0.01 C Shift Assignments>> C :: 178.837 CA :: 58.838 CB :: 41.610 CG :: 27.423 CD1 :: 23.000 CD2 :: 26.677 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.398 HA :: 4.630 HB2 :: 2.715 HB3 :: 1.832 HG :: 1.897 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 1.102 HD22 :: 1.102 HD23 :: 1.102 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.482 Ave N Shift Values>> N :: 121.98(4.07) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.35 R 0.07 K 0.01 C Shift Assignments>> C :: 179.042 CA :: 59.053 CB :: 41.147 CG :: 26.925 CD1 :: 23.494 CD2 :: 26.787 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.988 HA :: 4.150 HB2 :: 2.321 HB3 :: 1.383 HG :: 2.252 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.824 Ave N Shift Values>> N :: 121.98(4.07) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.718 CA :: 67.118 CB :: 31.983 CG1 :: 21.684 CG2 :: 22.505 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.224 HA :: 3.660 HB :: 2.573 HG11 :: 1.115 HG12 :: 1.115 HG13 :: 1.115 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.784 Ave N Shift Values>> N :: 121.02(4.96) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.73 C 0.26 C Shift Assignments>> C :: 180.414 CA :: 63.280 CB :: 29.422 CD1 :: 126.722 CE3 :: 119.579 CZ2 :: 114.808 CZ3 :: 121.216 CH2 :: 124.587 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.379 HA :: 4.093 HB2 :: 3.664 HB3 :: 3.887 HD1 :: 7.414 HE1 :: 10.241 HE3 :: 7.317 HZ2 :: 7.442 HZ3 :: 6.796 HH2 :: 7.193 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.777 NE1 :: 129.731 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.464 CA :: 66.636 CB :: 38.534 CG1 :: 29.836 CG2 :: 18.318 CD1 :: 15.129 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.701 HA :: 3.554 HB :: 2.315 HG12 :: 1.157 HG13 :: 2.538 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.649 Ave N Shift Values>> N :: 121.6(4.72) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.02 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 176.823 CA :: 59.822 CB :: 32.215 CG :: 24.931 CD :: 29.988 CE :: 41.918 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.660 HA :: 3.979 HB2 :: 2.186 HB3 :: 1.995 HG2 :: 1.544 HG3 :: 1.479 HD2 :: 1.712 HD3 :: 1.778 HE2 :: 2.953 HE3 :: 2.953 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.603 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 177.835 CA :: 58.303 CB :: 33.834 CG :: 25.462 CD :: 29.169 CE :: 42.164 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.816 HA :: 4.107 HB2 :: 1.688 HB3 :: 1.688 HG2 :: 1.350 HG3 :: 1.535 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.953 HE3 :: 2.953 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.12 F 0.12 Y 0.1 K 0.1 N 0.09 R 0.01 C Shift Assignments>> C :: 174.666 CA :: 55.055 CB :: 40.713 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.880 HA :: 4.529 HB2 :: 1.787 HB3 :: 0.886(S) HD21 :: 6.874 HD22 :: 5.534 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.461 ND2 :: 115.801 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.3 C 0.24 A 0.03 C Shift Assignments>> C :: 176.239 CA :: 55.160 CB :: 45.760 CG :: 26.925 CD1 :: 24.607 CD2 :: 22.918 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.129 HA :: 4.698 HB2 :: 1.593 HB3 :: 1.703 HG :: 1.618 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.350 Ave N Shift Values>> N :: 121.98(4.07) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.31 R 0.19 G 0.07 K 0.01 C Shift Assignments>> C :: 176.202 CA :: 56.470 CB :: 43.161 CG :: 26.948 CD1 :: 24.686 CD2 :: 26.945 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.316 HA :: 3.509 HB2 :: 1.953 HB3 :: 1.097 HG :: 1.363 HD11 :: 0.323 HD12 :: 0.323 HD13 :: 0.323 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.735 Ave N Shift Values>> N :: 121.98(4.07) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.21 M 0.02 C Shift Assignments>> C :: 176.402 CA :: 55.301 CB :: 32.950 CG :: 23.811 CD :: 28.170 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.022 HA :: 4.374 HB2 :: 1.720 HB3 :: 1.793 HG2 :: 1.381 HG3 :: 1.412 HD2 :: 1.539 HD3 :: 1.539 HE2 :: 2.967 HE3 :: 2.967 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.047 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.28 E 0.16 Q 0.01 C Shift Assignments>> C :: 173.792 CA :: 54.767 CB :: 33.132 CG :: 36.078 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.919 HA :: 4.461 HB2 :: 2.177 HB3 :: 1.562 HG2 :: 2.268 HG3 :: 2.175 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.598 Ave N Shift Values>> N :: 120.68(3.68) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.31 G 0.1 L 0.07 K 0.06 C Shift Assignments>> C :: 174.600 CA :: 55.175 CB :: 29.287 CG :: 27.237 CD :: 43.530 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.708 HA :: 4.271 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.707 HG3 :: 1.707 HD2 :: 3.231 HD3 :: 3.231 HE :: 7.487 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.108 NE :: 84.882 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 178.222 CA :: 65.354 CB :: 31.390 CG :: 27.672 CD :: 50.575 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.207 HB2 :: 2.079 HB3 :: 2.131 HG2 :: 2.135 HG3 :: 2.048 HD2 :: 3.631 HD3 :: 3.816 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.23 I 0.14 K 0.13 Q 0.08 R 0.01 C Shift Assignments>> C :: 177.250 CA :: 58.322 CB :: 27.672 CG :: 35.728 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.817 HA :: 4.627 HB2 :: 2.091 HB3 :: 2.157 HG2 :: 2.151 HG3 :: 2.434 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.300 Ave N Shift Values>> N :: 120.68(3.68) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.37 R 0.14 A 0.05 HN Overlap>> 1.I45 1.I45 C Shift Assignments>> C :: 175.408 CA :: 55.900 CB :: 41.480 CG :: 27.921 CD1 :: 22.197 CD2 :: 25.635 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.901 HA :: 4.276 HB2 :: 1.905 HB3 :: 1.606 HG :: 1.238 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.734 Ave N Shift Values>> N :: 121.98(4.07) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 F 0.24 C 0.18 Y 0.13 C Shift Assignments>> C :: 172.933 CA :: 58.756 CB :: 44.650 CD1 :: 131.519 CD2 :: 131.519 CE1 :: 130.087 CE2 :: 130.087 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.256 HA :: 4.810 HB2 :: 2.888 HB3 :: 2.744 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 6.882 HE2 :: 6.882 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 120.69(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 175.889 CA :: 58.633 CB :: 41.031 CG1 :: 27.672 CG2 :: 18.052 CD1 :: 13.130 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.524 HA :: 4.458 HB :: 1.646 HG12 :: 1.221 HG13 :: 1.377 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.499 Ave N Shift Values>> N :: 121.6(4.72) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.3 Q 0.17 E 0.12 K 0.04 C Shift Assignments>> C :: 175.062 CA :: 55.342 CB :: 31.913 CG :: 34.186 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.335 HA :: 4.437 HB2 :: 1.757 HB3 :: 1.926 HG2 :: 2.235 HG3 :: 2.235 HE21 :: 7.601 HE22 :: 6.880 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.491 NE2 :: 111.606 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 173.942 CA :: 47.103 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.172 HA2 :: 4.012 HA3 :: 3.628 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.892 Ave N Shift Values>> N :: 109.91(4.29) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 K 0.12 C 0.1 N 0.09 F 0.06 Y 0.05 R 0.05 C Shift Assignments>> C :: 175.000 CA :: 53.746 CB :: 41.524 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.704 HA :: 4.558 HB2 :: 2.801 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.863 Ave N Shift Values>> N :: 120.73(4.2) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.01 C Shift Assignments>> C :: 175.606 CA :: 54.062 CB :: 65.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.714 HA :: 4.965 HB2 :: 3.816 HB3 :: 4.019 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.070 Ave N Shift Values>> N :: 116.3(3.95) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.29 I 0.02 C Shift Assignments>> C :: 176.694 CA :: 60.030 CB :: 33.364 CG1 :: 23.220 CG2 :: 18.595 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.194 HA :: 4.515 HB :: 1.945 HG11 :: 0.572 HG12 :: 0.572 HG13 :: 0.572 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.183 Ave N Shift Values>> N :: 121.02(4.96) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.29 G 0.16 L 0.1 K 0.09 C Shift Assignments>> C :: 172.806 CA :: 54.370 CB :: 29.452 CG :: 25.954 CD :: 43.823 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.775 HA :: 4.174 HB2 :: 1.496 HB3 :: 1.496 HG2 :: 1.495 HG3 :: 1.542 HD2 :: 3.000 HD3 :: 3.196 HE :: 7.084 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.662 NE :: 84.469 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.358 CA :: 64.119 CB :: 31.556 CG :: 28.069 CD :: 50.718 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.413 HB2 :: 2.358 HB3 :: 1.849 HG2 :: 2.079 HG3 :: 2.164 HD2 :: 3.546 HD3 :: 3.836 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.522 CA :: 44.564 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.878 HA2 :: 4.408 HA3 :: 3.551 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.313 Ave N Shift Values>> N :: 109.91(4.29) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.854 CA :: 60.113 CB :: 37.170 CG1 :: 27.921 CG2 :: 17.381 CD1 :: 12.143 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.886 HA :: 4.824 HB :: 2.063 HG12 :: 1.605 HG13 :: 1.235 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.487 Ave N Shift Values>> N :: 121.6(4.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 G 0.06 R 0.05 A 0.04 C Shift Assignments>> C :: 175.431 CA :: 53.862 CB :: 43.044 CG :: 26.948 CD1 :: 24.976 CD2 :: 23.165 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.201 HA :: 4.502 HB2 :: 1.535 HB3 :: 1.627 HG :: 1.654 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.565 Ave N Shift Values>> N :: 121.98(4.07) 1.V76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.827 CA :: 60.788 CB :: 31.952 CG1 :: 20.111 CG2 :: 20.253 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.189 HA :: 4.399 HB :: -0.113(S) HG11 :: -0.235(S) HG12 :: -0.235(S) HG13 :: -0.235(S) HG21 :: -0.130(S) HG22 :: -0.130(S) HG23 :: -0.130(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.642 Ave N Shift Values>> N :: 121.02(4.96) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.34 C 0.19 R 0.05 C Shift Assignments>> C :: 176.183 CA :: 53.100 CB :: 44.600 CG :: 28.182 CD1 :: 25.212 CD2 :: 24.435 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.918 HA :: 5.063 HB2 :: 1.598 HB3 :: 0.924 HG :: 1.378 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.670 HD22 :: 0.670 HD23 :: 0.670 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.524 Ave N Shift Values>> N :: 121.98(4.07) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.113 CA :: 59.825 CB :: 38.872 CG1 :: 27.423 CG2 :: 16.857 CD1 :: 14.923 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.323 HA :: 4.416 HB :: 1.361 HG12 :: 1.260 HG13 :: 0.625 HG21 :: 0.311 HG22 :: 0.311 HG23 :: 0.311 HD11 :: 0.550 HD12 :: 0.550 HD13 :: 0.550 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.349 Ave N Shift Values>> N :: 121.6(4.72) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 N 0.22 Y 0.13 E 0.13 F 0.08 D 0.05 M 0.04 I 0.01 K 0.01 C Shift Assignments>> C :: 175.060 CA :: 54.890 CB :: 37.330 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.764 HA :: 4.290 HB2 :: 3.052 HB3 :: 2.757 HD21 :: 7.396 HD22 :: 7.471 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.280 ND2 :: 117.819 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.17 D 0.13 L 0.1 K 0.06 I 0.04 N 0.04 C Shift Assignments>> C :: 173.926 CA :: 56.782 CB :: 40.116 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.905 HA :: 3.987 HB2 :: 2.984 HB3 :: 2.869 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 108.491 Ave N Shift Values>> N :: 120.73(4.2) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.1 C 0.07 L 0.06 C Shift Assignments>> C :: 176.186 CA :: 50.558 CB :: 21.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.956 HA :: 4.698 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.716 Ave N Shift Values>> N :: 123.23(3.7) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 178.657 CA :: 55.384 CB :: 42.223 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.581 HA :: 4.515 HB2 :: 2.855 HB3 :: 2.743 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.871 Ave N Shift Values>> N :: 120.73(4.2) 1.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.42 H 0.02 C Shift Assignments>> C :: 177.843 CA :: 59.266 CB :: 28.077 CD1 :: 127.219 CE3 :: 118.859 CZ2 :: 115.584 CZ3 :: 120.899 CH2 :: 124.281 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.822 HA :: 4.368 HB2 :: 3.400 HB3 :: 2.871 HD1 :: 7.811 HE1 :: 10.510 HE3 :: 7.188 HZ2 :: 7.521 HZ3 :: 6.908 HH2 :: 7.392 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.532 NE1 :: 131.065 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.23 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.137 CA :: 59.417 CB :: 28.916 CG :: 36.371 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.511 HA :: 3.901 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.477 HG3 :: 2.213 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.539 Ave N Shift Values>> N :: 120.68(3.68) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.34 R 0.14 A 0.03 G 0.01 C Shift Assignments>> C :: 178.237 CA :: 55.960 CB :: 41.937 CG :: 27.524 CD1 :: 22.607 CD2 :: 25.507 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.169 HA :: 4.346 HB2 :: 1.977 HB3 :: 1.702 HG :: 1.785 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 1.075 HD22 :: 1.075 HD23 :: 1.075 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.048 Ave N Shift Values>> N :: 121.98(4.07) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.32 C 0.2 R 0.04 A 0.03 C Shift Assignments>> C :: 176.741 CA :: 54.561 CB :: 44.874 CG :: 26.998 CD1 :: 26.372 CD2 :: 22.918 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.266 HA :: 4.658 HB2 :: 2.084 HB3 :: 1.336 HG :: 1.462 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.621 Ave N Shift Values>> N :: 121.98(4.07) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.390 CA :: 45.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.515 HA2 :: 4.350 HA3 :: 3.625 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.371 Ave N Shift Values>> N :: 109.91(4.29) 1.E88 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.33 Q 0.21 K 0.19 E 0.12 R 0.06 I 0.05 C Shift Assignments>> C :: 175.566 CA :: 58.262 CB :: 27.435 CG :: 34.491 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.166 HA :: 2.696(S) HB2 :: 1.421 HB3 :: 0.954(S) HG2 :: 0.170(A) HG3 :: 1.152(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 120.68(3.68) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.3 R 0.14 G 0.08 C Shift Assignments>> C :: 177.039 CA :: 57.825 CB :: 43.352 CG :: 26.925 CD1 :: 26.134 CD2 :: 23.616 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.616 HA :: 4.042 HB2 :: 1.868 HB3 :: 1.391 HG :: 1.794 HD11 :: 0.984 HD12 :: 0.984 HD13 :: 0.984 HD21 :: 1.314 HD22 :: 1.314 HD23 :: 1.314 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.773 Ave N Shift Values>> N :: 121.98(4.07) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.23 K 0.15 C 0.1 R 0.08 F 0.06 Y 0.05 N 0.05 C Shift Assignments>> C :: 176.902 CA :: 54.356 CB :: 41.859 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.722 HA :: 4.698 HB2 :: 2.953 HB3 :: 2.587 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.832 Ave N Shift Values>> N :: 120.73(4.2) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.496 CA :: 60.362 CB :: 36.919 CD1 :: 133.024 CD2 :: 133.024 CE1 :: 118.328 CE2 :: 118.328 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.579 HA :: 4.172 HB2 :: 3.056 HB3 :: 2.869 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 6.864 HE2 :: 6.864 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.345 Ave N Shift Values>> N :: 120.79(4.69) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.23 E 0.1 R 0.06 M 0.01 C Shift Assignments>> C :: 174.376 CA :: 55.014 CB :: 27.851 CG :: 34.392 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.645 HA :: 4.346 HB2 :: 1.731 HB3 :: 1.833 HG2 :: 2.583 HG3 :: 2.121 HE21 :: 7.747 HE22 :: 6.828 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.873 NE2 :: 111.542 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.27 R 0.26 G 0.07 K 0.02 C Shift Assignments>> C :: 175.763 CA :: 55.534 CB :: 43.266 CG :: 27.606 CD1 :: 27.326 CD2 :: 24.473 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.620 HA :: 4.088 HB2 :: 1.537 HB3 :: 1.226 HG :: 1.631 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 1.076 HD22 :: 1.076 HD23 :: 1.076 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 121.98(4.07) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.32 Q 0.18 K 0.06 E 0.05 C Shift Assignments>> C :: 174.868 CA :: 52.543 CB :: 31.202 CG :: 33.857 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.762 HA :: 4.441 HB2 :: 2.091 HB3 :: 2.032 HG2 :: 2.487 HG3 :: 2.360 HE21 :: 6.851 HE22 :: 7.230 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.087 NE2 :: 114.239 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.12 R 0.12 C 0.11 Y 0.09 D 0.08 I 0.01 C Shift Assignments>> C :: 177.505 CA :: 56.964 CB :: 41.888 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.561 HA :: 4.283 HB2 :: 2.702 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.647 Ave N Shift Values>> N :: 120.73(4.2) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.12 Q 0.11 M 0.03 V 0.01 C Shift Assignments>> C :: 175.318 CA :: 57.481 CB :: 25.524 CG :: 33.280 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.299 HA :: 3.615 HB2 :: 2.340 HB3 :: 2.445 HG2 :: 2.252 HG3 :: 2.338 HE21 :: 6.724 HE22 :: 7.726 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.628 NE2 :: 113.803 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.16 C 0.1 D 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 174.926 CA :: 56.288 CB :: 42.254 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.250 HA :: 4.782 HB2 :: 2.940 HB3 :: 2.349 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.089 Ave N Shift Values>> N :: 120.73(4.2) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.329 CA :: 55.982 CB :: 64.409 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.275 HA :: 5.287 HB2 :: 3.819 HB3 :: 3.675 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.497 Ave N Shift Values>> N :: 116.3(3.95) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 173.134 CA :: 59.619 CB :: 39.098 CG1 :: 28.523 CG2 :: 19.677 CD1 :: 14.333 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.135 HA :: 4.641 HB :: 1.688 HG12 :: 1.106 HG13 :: 1.106 HG21 :: 0.178 HG22 :: 0.178 HG23 :: 0.178 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.366 Ave N Shift Values>> N :: 121.6(4.72) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.17 L 0.14 A 0.06 R 0.03 C Shift Assignments>> C :: 173.676 CA :: 53.001 CB :: 45.143 CG :: 27.771 CD1 :: 22.917 CD2 :: 26.217 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.908 HA :: 4.968 HB2 :: 1.549 HB3 :: 1.241 HG :: 1.265 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.040 Ave N Shift Values>> N :: 121.98(4.07) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.48 C Shift Assignments>> C :: 175.035 CA :: 55.918 CB :: 41.214 CD1 :: 133.305 CD2 :: 133.305 CE1 :: 130.619 CE2 :: 130.619 CZ :: 128.036 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.782 HA :: 5.415 HB2 :: 3.432 HB3 :: 2.885 HD1 :: 6.924 HD2 :: 6.924 HE1 :: 6.823 HE2 :: 6.823 HZ :: 6.830 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.480 Ave N Shift Values>> N :: 120.69(4.18) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 A 0.01 C Shift Assignments>> C :: 175.969 CA :: 58.797 CB :: 41.361 CG1 :: 27.174 CG2 :: 17.078 CD1 :: 13.130 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.105 HA :: 4.627 HB :: 1.683 HG12 :: 1.373 HG13 :: 0.914 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 121.6(4.72) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.921 CA :: 58.098 CB :: 63.855 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.086 HA :: 4.951 HB2 :: 4.008 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.679 Ave N Shift Values>> N :: 116.3(3.95) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.821 CA :: 61.546 CB :: 70.133 CG2 :: 21.476 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.183 HA :: 4.660 HB :: 4.454 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.341 Ave N Shift Values>> N :: 115.7(5.05) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.3 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.310 CA :: 55.567 CB :: 42.268 CG :: 27.174 CD1 :: 23.373 CD2 :: 24.727 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.140 HA :: 4.359 HB2 :: 1.520 HB3 :: 1.576 HG :: 1.591 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.752 Ave N Shift Values>> N :: 121.98(4.07) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.26 C Shift Assignments>> C :: 175.445 CA :: 55.754 CB :: 29.804 CD2 :: 120.318 CE1 :: 137.216 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.590 HA :: 4.768 HB2 :: 3.173 HB3 :: 3.319 HD2 :: 7.207 HE1 :: 8.259 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.673 CA :: 45.408 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.429 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.204 Ave N Shift Values>> N :: 109.91(4.29) 1.G108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 7 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 1 C Shift Results: #Consistent: 472 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 740 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 2 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F18 SRO Rule Break>> HZ > HA : 0.993127147766323 1.E23 H = 11.034(S), Expected = 8.34, Std = 0.6100, ChiSquare = 1.0036e-05 1.L36 HB3 = -0.479(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.2581e-08 1.L36 HD11 = -0.385(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8877e-05 1.L36 HD12 = -0.385(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8877e-05 1.L36 HD13 = -0.385(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.8877e-05 1.L36 HD21 = -1.249(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2307e-13 1.L36 HD22 = -1.249(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2307e-13 1.L36 HD23 = -1.249(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2307e-13 1.Q39 HE22 = 5.157(S), Expected = 7.07, Std = 0.4900, ChiSquare = 9.4584e-05 1.D44 HA = 5.766(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.9222e-04 1.I45 HB = 2.836(A), Expected = 1.80, Std = 0.3100, ChiSquare = 8.3196e-04 1.N55 HB3 = 0.886(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.5388e-08 1.V76 HB = -0.113(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.8570e-10 1.V76 HG11 = -0.235(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8487e-05 1.V76 HG12 = -0.235(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8487e-05 1.V76 HG13 = -0.235(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8487e-05 1.V76 HG21 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.V76 HG22 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.V76 HG23 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.E88 HA = 2.696(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.7561e-04 1.E88 HB3 = 0.954(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.3384e-06 1.E88 HG2 = 0.170(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.1869e-24 1.E88 HG3 = 1.152(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.5020e-08