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>> W 0.52 H 0.46 C Shift Assignments>> CD2 :: 120.013 CE1 :: 138.399 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>> HD2 :: 7.029 HE1 :: 7.924 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) 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.27 I 0.12 V 0.11 T 0.05 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> CB :: 19.184 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.497 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.114 Ave N Shift Values>> N :: 123.23(3.7) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.27 I 0.12 V 0.11 T 0.05 C Shift Assignments>> CB :: 19.193 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.262 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.108 Ave N Shift Values>> N :: 123.23(3.7) 1.N7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D52 1.R111 1.D52 1.R111 H Shift Assignments>> H :: 8.295 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 :: 117.377 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I179 1.I179 H Shift Assignments>> H :: 8.215 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 :: 121.482 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 172.016 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.247 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 :: 116.485 Ave N Shift Values>> N :: 116.3(3.95) 1.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.811 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 :: 8.554 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 :: 123.407 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 171.766 CA :: 45.316 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.713 Ave N Shift Values>> N :: 109.91(4.29) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.3 E 0.16 M 0.12 R 0.05 C Shift Assignments>> C :: 173.954 CA :: 56.094 CB :: 29.565 CG :: 33.800 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 :: 8.229 HA :: 4.294 HB2 :: 1.916 HB3 :: 2.039 HG2 :: 2.270 HG3 :: 2.270 HE21 :: 6.788 HE22 :: 7.466 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 :: 119.740 NE2 :: 112.129 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.385 CA :: 58.710 CB :: 63.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.403 HA :: 4.342 HB2 :: 3.755 HB3 :: 3.800 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 :: 117.303 Ave N Shift Values>> N :: 116.3(3.95) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.832 CA :: 58.247 CB :: 63.862 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.515 HA :: 4.442 HB2 :: 3.804 HB3 :: 3.752 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 :: 117.372 Ave N Shift Values>> N :: 116.3(3.95) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.01 C Shift Assignments>> C :: 173.747 CA :: 55.667 CB :: 41.859 CG :: 27.284 CD1 :: 25.293 CD2 :: 24.250 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 :: 8.218 HA :: 4.080 HB2 :: 1.577 HB3 :: 1.524 HG :: 1.634 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 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 :: 123.753 Ave N Shift Values>> N :: 121.98(4.07) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 173.265 CA :: 51.640 CB :: 19.485 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.015 HA :: 4.181 HB1 :: 1.213 HB2 :: 1.213 HB3 :: 1.213 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.457 Ave N Shift Values>> N :: 123.23(3.7) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.42 R 0.07 A 0.03 C Shift Assignments>> C :: 172.086 CA :: 53.687 CB :: 44.723 CG :: 27.945 CD1 :: 25.497 CD2 :: 23.424 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 :: 6.867 HA :: 4.972 HB2 :: 1.324 HB3 :: 1.094 HG :: 0.949 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 HD21 :: 0.531 HD22 :: 0.531 HD23 :: 0.531 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 :: 122.673 Ave N Shift Values>> N :: 121.98(4.07) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.85 W 0.14 C Shift Assignments>> C :: 172.169 CA :: 53.457 CB :: 33.553 CD2 :: 117.093 CE1 :: 137.765 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 :: 8.366 HA :: 5.341 HB2 :: 2.717 HB3 :: 2.655 HD2 :: 6.575 HE1 :: 7.278 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 :: 124.934 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 173.090 CB :: 33.668 CG :: 25.427 CD :: 29.342 CE :: 41.571 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 :: 8.421 HA :: 4.751 HB2 :: 1.330 HB3 :: 1.586 HG2 :: 0.551 HG3 :: 0.834 HD2 :: 0.585(S) HD3 :: 0.844 HE2 :: 2.096(S) HE3 :: 2.278 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 :: 122.871 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 171.270 CA :: 61.170 CB :: 35.068 CG1 :: 21.283 CG2 :: 21.346 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 :: 9.666 HA :: 4.506 HB :: 1.933 HG11 :: 0.655 HG12 :: 0.655 HG13 :: 0.655 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 126.887 Ave N Shift Values>> N :: 121.02(4.96) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 172.695 CA :: 59.245 CB :: 38.780 CG1 :: 27.943 CG2 :: 17.850 CD1 :: 15.553 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 :: 7.983 HA :: 4.977 HB :: 1.575 HG12 :: 1.178 HG13 :: 1.427 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 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 :: 123.798 Ave N Shift Values>> N :: 121.6(4.72) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.39 C Shift Assignments>> C :: 173.259 CA :: 52.785 CB :: 31.292 CE :: 16.020 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 :: 8.420 HA :: 5.052 HB2 :: 1.700 HB3 :: 2.379 HE1 :: 1.808 HE2 :: 1.808 HE3 :: 1.808 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 :: 123.260 Ave N Shift Values>> N :: 120.1(3.88) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 59.995 CB :: 35.257 CG1 :: 22.702 CG2 :: 23.148 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 :: 9.031 HA :: 4.299 HB :: 1.813 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 122.730 Ave N Shift Values>> N :: 121.02(4.96) 1.G24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.743 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.261 Ave N Shift Values>> N :: 109.91(4.29) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.28 P 0.21 V 0.19 T 0.15 I 0.12 F 0.01 C Shift Assignments>> C :: 171.692 CB :: 63.884 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.408 HA :: 4.389 HB2 :: 3.977 HB3 :: 3.977 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 :: 115.754 Ave N Shift Values>> N :: 116.3(3.95) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.117 CA :: 46.729 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.448 HA2 :: 3.649 HA3 :: 4.736 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.659 Ave N Shift Values>> N :: 109.91(4.29) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 171.308 CA :: 45.994 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.119 HA2 :: 3.931 HA3 :: 3.047 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.413 Ave N Shift Values>> N :: 109.91(4.29) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 172.050 CA :: 63.041 CB :: 31.691 CG1 :: 17.436 CG2 :: 22.383 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 :: 7.177 HA :: 3.702 HB :: 1.849 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 111.692 Ave N Shift Values>> N :: 121.02(4.96) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 171.564 CA :: 45.484 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.234 HA2 :: 4.281 HA3 :: 4.647 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.107 Ave N Shift Values>> N :: 109.91(4.29) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 V 0.17 W 0.17 P 0.11 E 0.09 R 0.08 H 0.05 Q 0.03 K 0.02 M 0.02 C Shift Assignments>> C :: 177.153 CA :: 61.218 CB :: 30.273 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 :: 8.980 HA :: 3.568 HB2 :: 1.620 HB3 :: 2.376 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 :: 123.037 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.2 V 0.18 F 0.06 P 0.06 Y 0.05 S 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 173.214 CA :: 61.319 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.445 HA :: 4.121 HB2 :: 3.770 HB3 :: 3.770 HG :: 4.154 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 :: 120.419 Ave N Shift Values>> N :: 116.3(3.95) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.01 C Shift Assignments>> C :: 179.625 CA :: 54.430 CB :: 18.768 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.409 HA :: 4.109 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 :: 126.089 Ave N Shift Values>> N :: 123.23(3.7) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 R 0.31 G 0.19 C Shift Assignments>> C :: 175.591 CA :: 58.981 CB :: 43.579 CG :: 27.404 CD1 :: 26.657 CD2 :: 24.288 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 :: 8.662 HA :: 3.856 HB2 :: 1.140 HB3 :: 2.121 HG :: 1.843 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 119.273 Ave N Shift Values>> N :: 121.98(4.07) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.737 CA :: 68.052 CB :: 68.431 CG2 :: 22.930 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 :: 7.555 HA :: 4.167 HB :: 3.383 HG1 :: 4.342 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 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 :: 116.288 Ave N Shift Values>> N :: 115.7(5.05) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 A 0.01 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> C :: 178.363 CA :: 58.273 CB :: 40.791 CG :: 27.320 CD1 :: 25.365 CD2 :: 22.259 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 :: 9.067 HA :: 3.654 HB2 :: 1.901 HB3 :: 1.430 HG :: 1.622 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 120.839 Ave N Shift Values>> N :: 121.98(4.07) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 W 0.16 E 0.14 H 0.14 Q 0.08 P 0.07 M 0.05 V 0.05 K 0.04 I 0.03 C Shift Assignments>> C :: 176.304 CB :: 30.563 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 :: 7.840 HA :: 4.501 HB2 :: 1.928 HB3 :: 1.967 HG2 :: 2.309 HG3 :: 2.650 HE21 :: 6.412 HE22 :: 7.707 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 :: 121.364 NE2 :: 107.375 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 Y 0.01 C Shift Assignments>> C :: 175.560 CA :: 61.374 CB :: 39.714 CD1 :: 131.781 CD2 :: 131.781 CE1 :: 130.335 CE2 :: 130.335 CZ :: 127.411 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 :: 7.924 HA :: 3.767 HB2 :: 2.594 HB3 :: 2.227 HD1 :: 6.461 HD2 :: 6.461 HE1 :: 6.871 HE2 :: 6.871 HZ :: 6.633 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 :: 119.667 Ave N Shift Values>> N :: 120.69(4.18) 1.M38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.8 I 0.1 A 0.08 C Shift Assignments>> C :: 175.993 CA :: 55.765 CB :: 30.295 CE :: 15.247 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 :: 8.562 HA :: 3.573 HB2 :: -0.086(S) HB3 :: 1.032 HG2 :: 1.876 HG3 :: 1.876 HE1 :: 1.660 HE2 :: 1.660 HE3 :: 1.660 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 :: 114.121 Ave N Shift Values>> N :: 120.1(3.88) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.778 CA :: 56.068 CB :: 41.039 CD1 :: 133.542 CD2 :: 133.542 CE1 :: 117.252 CE2 :: 117.252 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 :: 7.633 HA :: 4.953 HB2 :: 2.447 HB3 :: 3.403 HD1 :: 6.958 HD2 :: 6.958 HE1 :: 6.626 HE2 :: 6.626 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 :: 114.936 Ave N Shift Values>> N :: 120.79(4.69) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 D 0.18 N 0.17 L 0.07 I 0.03 E 0.03 C Shift Assignments>> C :: 172.611 CA :: 55.749 CB :: 38.991 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 :: 8.198 HA :: 4.755 HB2 :: 2.859 HB3 :: 2.845 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 :: 118.421 Ave N Shift Values>> N :: 120.73(4.2) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.24 Q 0.05 C Shift Assignments>> C :: 172.163 CA :: 54.303 CB :: 33.490 CG :: 35.632 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 :: 6.953 HA :: 4.490 HB2 :: 1.690 HB3 :: 1.615 HG2 :: 1.963 HG3 :: 2.041 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 :: 116.210 Ave N Shift Values>> N :: 120.68(3.68) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.V59 1.V59 C Shift Assignments>> C :: 172.125 CA :: 55.989 CB :: 40.542 CD1 :: 131.906 CD2 :: 131.906 CE1 :: 129.719 CE2 :: 129.719 CZ :: 129.816 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 :: 8.326 HA :: 4.869 HB2 :: 2.679 HB3 :: 2.918 HD1 :: 6.922 HD2 :: 6.922 HE1 :: 6.361 HE2 :: 6.361 HZ :: 6.479 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 :: 120.867 Ave N Shift Values>> N :: 120.69(4.18) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 171.712 CA :: 60.116 CB :: 33.044 CG1 :: 19.972 CG2 :: 20.757 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 :: 7.415 HA :: 3.911 HB :: 1.739 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 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 :: 126.618 Ave N Shift Values>> N :: 121.02(4.96) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.14 M 0.14 K 0.06 Q 0.02 C Shift Assignments>> C :: 175.259 CA :: 57.714 CB :: 30.649 CG :: 36.786 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 :: 8.122 HA :: 3.559 HB2 :: 1.920 HB3 :: 1.703 HG2 :: 2.102 HG3 :: 2.185 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 :: 124.146 Ave N Shift Values>> N :: 120.68(3.68) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.15 N 0.09 F 0.07 Y 0.06 R 0.06 C Shift Assignments>> C :: 172.108 CA :: 53.966 CB :: 41.539 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 :: 7.557 HA :: 4.492 HB2 :: 2.336 HB3 :: 2.485 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 :: 119.606 Ave N Shift Values>> N :: 120.73(4.2) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 H 0.36 C Shift Assignments>> C :: 171.043 CD1 :: 132.247 CD2 :: 132.247 CE1 :: 117.136 CE2 :: 117.136 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 :: 8.613 HA :: 4.954 HB2 :: 2.830 HB3 :: 3.044 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.869 HE2 :: 6.869 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 :: 120.896 Ave N Shift Values>> N :: 120.79(4.69) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.47 M 0.1 I 0.09 Y 0.07 K 0.06 N 0.05 V 0.05 Q 0.03 F 0.02 C Shift Assignments>> CG :: 35.779 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>> HA :: 4.622 HG2 :: 1.978 HG3 :: 1.978 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) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 R 0.08 K 0.04 Q 0.03 C Shift Assignments>> CB :: 32.396 CG :: 26.915 CD :: 51.246 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>> HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.829 HG3 :: 1.435 HD2 :: 3.028 HD3 :: 3.433 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.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 V 0.06 C Shift Assignments>> CB :: 69.724 CG2 :: 20.131 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>> HB :: 3.969 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 HN Overlap>> 1.A5 1.A5 C Shift Assignments>> CA :: 58.836 CB :: 32.238 CG :: 24.738 CE :: 41.967 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 :: 8.534 HA :: 4.066 HB2 :: 1.416 HB3 :: 1.615 HG2 :: 0.788 HG3 :: 0.970 HE2 :: 2.772 HE3 :: 2.772 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 :: 126.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.22 L 0.21 HN Overlap>> 1.K163 1.K163 C Shift Assignments>> CA :: 52.637 CB :: 21.526 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.926 HA :: 4.245 HB1 :: 1.001 HB2 :: 1.001 HB3 :: 1.001 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.121 Ave N Shift Values>> N :: 123.23(3.7) 1.D52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q66 1.R111 1.N7 1.M176 1.Q66 1.R111 1.N7 1.M176 H Shift Assignments>> H :: 8.251 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 :: 117.368 Ave N Shift Values>> N :: 120.73(4.2) 1.S53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.686 HB2 :: 2.493 HB3 :: 3.218 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) 1.R55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 K 0.36 Q 0.21 M 0.03 E 0.01 C Shift Assignments>> CA :: 55.540 CB :: 32.540 CG :: 26.465 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 :: 8.812 HA :: 5.921(S) HB2 :: 1.448 HB3 :: 1.652 HG2 :: 1.376 HD2 :: 3.285 HD3 :: 3.285 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 :: 124.232 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.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 K 0.09 G 0.03 M 0.02 C Shift Assignments>> C :: 171.413 CA :: 55.277 CB :: 38.317 CG :: 25.112 CD :: 30.458 CE :: 42.035 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 :: 9.046 HA :: 4.546 HB2 :: 1.587 HB3 :: 1.587 HG2 :: 1.254 HG3 :: 1.191 HD2 :: 1.261 HD3 :: 0.890 HE2 :: 2.420 HE3 :: 2.626 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 :: 127.212 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.05 C Shift Assignments>> C :: 173.681 CA :: 55.960 CB :: 33.120 CG :: 25.028 CD :: 29.332 CE :: 41.817 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 :: 8.344 HA :: 4.974 HB2 :: 1.696 HB3 :: 1.593 HG2 :: 1.183 HG3 :: 1.335 HD2 :: 1.508 HD3 :: 1.508 HE2 :: 2.764 HE3 :: 2.764 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 :: 124.634 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 I 0.19 A 0.05 HN Overlap>> 1.F173 1.F173 C Shift Assignments>> C :: 170.970 CA :: 59.093 CB :: 36.067 CG1 :: 22.371 CG2 :: 19.509 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 :: 8.911 HA :: 4.612 HB :: 2.120 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.551 HG22 :: 0.551 HG23 :: 0.551 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 :: 119.051 Ave N Shift Values>> N :: 121.02(4.96) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F42 1.F42 C Shift Assignments>> C :: 172.383 CA :: 61.922 CB :: 31.353 CG1 :: 21.226 CG2 :: 21.314 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 :: 8.239 HA :: 4.398 HB :: 1.832 HG11 :: 0.590 HG12 :: 0.590 HG13 :: 0.590 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 120.879 Ave N Shift Values>> N :: 121.02(4.96) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.34 R 0.05 A 0.02 C Shift Assignments>> C :: 173.233 CA :: 52.934 CB :: 44.813 CG :: 27.463 CD1 :: 26.716 CD2 :: 23.870 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 :: 9.062 HA :: 4.534 HB2 :: 0.775 HB3 :: 1.885 HG :: 1.236 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 129.467 Ave N Shift Values>> N :: 121.98(4.07) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 Y 0.2 F 0.2 N 0.15 L 0.11 K 0.02 I 0.02 E 0.01 C Shift Assignments>> C :: 173.825 CA :: 55.577 CB :: 39.695 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 :: 9.562 HA :: 4.182 HB2 :: 2.784 HB3 :: 2.577 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 :: 129.552 Ave N Shift Values>> N :: 120.73(4.2) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 170.954 CA :: 45.210 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.975 HA2 :: 4.107 HA3 :: 3.372 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.199 Ave N Shift Values>> N :: 109.91(4.29) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.36 Q 0.06 K 0.01 C Shift Assignments>> C :: 172.294 CA :: 54.186 CB :: 32.232 CG :: 35.897 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 :: 7.523 HA :: 4.536 HB2 :: 1.934 HB3 :: 1.776 HG2 :: 2.053 HG3 :: 2.146 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 :: 120.419 Ave N Shift Values>> N :: 120.68(3.68) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.19 M 0.08 K 0.06 C Shift Assignments>> C :: 173.267 CA :: 57.180 CB :: 30.169 CG :: 37.329 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 :: 8.723 HA :: 4.563 HB2 :: 1.936 HB3 :: 1.847 HG2 :: 1.933 HG3 :: 2.147 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 :: 125.093 Ave N Shift Values>> N :: 120.68(3.68) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.04 A 0.02 C Shift Assignments>> C :: 171.335 CA :: 59.207 CB :: 35.862 CG1 :: 20.458 CG2 :: 21.990 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 :: 9.025 HA :: 4.627 HB :: 1.824 HG11 :: 0.651 HG12 :: 0.651 HG13 :: 0.651 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 121.734 Ave N Shift Values>> N :: 121.02(4.96) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.29 Q 0.04 HN Overlap>> 1.D52 1.D52 1.R111 1.M176 1.R111 1.M176 C Shift Assignments>> C :: 171.033 CA :: 54.346 CB :: 33.238 CG :: 35.895 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 :: 8.172 HA :: 5.239 HB2 :: 1.818 HB3 :: 1.590 HG2 :: 1.833 HG3 :: 2.270 HE21 :: 6.577 HE22 :: 7.224 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 :: 117.357 NE2 :: 108.824 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.05 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> CA :: 57.370 CB :: 40.585 CG1 :: 29.041 CG2 :: 15.550 CD1 :: 13.862 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 :: 9.047 HA :: 5.153 HB :: 1.994 HG12 :: 1.608 HG13 :: 0.946 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 120.983 Ave N Shift Values>> N :: 121.6(4.72) 1.D68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.14 D 0.11 F 0.01 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> CA :: 52.186 CB :: 43.863 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 :: 8.661 HA :: 5.978(S) HB2 :: 2.867 HB3 :: 2.205 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 :: 128.462 Ave N Shift Values>> N :: 120.73(4.2) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 G 0.14 A 0.01 HN Overlap>> 1.L35 1.L35 1.I67 1.I67 C Shift Assignments>> CA :: 59.715 CB :: 42.538 CG1 :: 27.759 CG2 :: 18.694 CD1 :: 15.669 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 :: 9.082 HA :: 5.184 HB :: 1.526 HG12 :: 1.645 HG13 :: 1.645 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 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 :: 120.916 Ave N Shift Values>> N :: 121.6(4.72) 1.L70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.96 G 0.03 C Shift Assignments>> CB :: 42.078 CG :: 26.979 CD1 :: 22.003 CD2 :: 23.555 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 :: 9.286 HA :: 4.588 HB2 :: 1.376 HB3 :: 1.376 HG :: 0.367(S) HD11 :: -0.299(S) HD12 :: -0.299(S) HD13 :: -0.299(S) HD21 :: -0.277(S) HD22 :: -0.277(S) HD23 :: -0.277(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 :: 132.305 Ave N Shift Values>> N :: 121.98(4.07) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.17 K 0.11 F 0.04 N 0.03 Y 0.03 G 0.03 C Shift Assignments>> CA :: 53.532 CB :: 42.695 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 :: 9.001 HA :: 4.627 HB2 :: 2.390 HB3 :: 2.340 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 :: 127.665 Ave N Shift Values>> N :: 120.73(4.2) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.064 CB :: 72.696 CG2 :: 22.375 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 :: 6.538 HA :: 4.405 HB :: 4.303 HG1 :: 5.822 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 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 :: 110.661 Ave N Shift Values>> N :: 115.7(5.05) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.37 M 0.19 K 0.03 HN Overlap>> 1.K118 1.I114 1.K118 1.I114 C Shift Assignments>> CA :: 52.508 CB :: 22.181 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.751 HA :: 4.230 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.068 Ave N Shift Values>> N :: 123.23(3.7) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.722 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.336 HA2 :: 3.603 HA3 :: 3.614 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.164 Ave N Shift Values>> N :: 109.91(4.29) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.13 G 0.04 A 0.01 C Shift Assignments>> C :: 172.253 CA :: 55.247 CB :: 42.654 CG :: 27.284 CD1 :: 24.843 CD2 :: 23.724 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 :: 7.980 HA :: 4.447 HB2 :: 1.731 HB3 :: 1.622 HG :: 1.703 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 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 :: 121.267 Ave N Shift Values>> N :: 121.98(4.07) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.15 I 0.12 M 0.08 Q 0.07 C Shift Assignments>> C :: 174.556 CA :: 57.427 CB :: 29.728 CG :: 36.224 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 :: 8.590 HA :: 4.090 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.198 HG3 :: 2.198 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 :: 122.709 Ave N Shift Values>> N :: 120.68(3.68) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 F 0.15 Y 0.13 K 0.12 N 0.09 R 0.02 I 0.01 C Shift Assignments>> C :: 174.122 CA :: 55.364 CB :: 40.681 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 :: 8.310 HA :: 4.236 HB2 :: 2.170 HB3 :: 1.889 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 :: 119.861 Ave N Shift Values>> N :: 120.73(4.2) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 173.506 CA :: 55.741 CB :: 37.839 CD1 :: 132.803 CD2 :: 132.803 CE1 :: 118.240 CE2 :: 118.240 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 :: 7.864 HA :: 4.822 HB2 :: 3.142 HB3 :: 2.670 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 6.734 HE2 :: 6.734 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 :: 118.120 Ave N Shift Values>> N :: 120.79(4.69) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.03 V 0.01 C Shift Assignments>> C :: 176.123 CA :: 55.439 CB :: 18.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.892 HA :: 3.733 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.165 Ave N Shift Values>> N :: 123.23(3.7) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> CA :: 54.872 CB :: 18.152 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.277 HA :: 3.972 HB1 :: 1.226 HB2 :: 1.226 HB3 :: 1.226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.789 Ave N Shift Values>> N :: 123.23(3.7) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 171.557 CA :: 62.858 CB :: 37.762 CG1 :: 27.347 CG2 :: 17.308 CD1 :: 12.535 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 :: 6.905 HA :: 3.588 HB :: 1.606 HG12 :: 1.120 HG13 :: 0.627 HG21 :: 0.411 HG22 :: 0.411 HG23 :: 0.411 HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 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 :: 114.070 Ave N Shift Values>> N :: 121.6(4.72) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.22 K 0.07 C Shift Assignments>> C :: 175.229 CA :: 60.275 CB :: 30.174 CG :: 26.581 CD :: 43.605 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 :: 7.352 HA :: 3.691 HB2 :: 1.670 HB3 :: 1.575 HG2 :: 0.782 HG3 :: 1.420 HD2 :: 3.051 HD3 :: 3.101 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 :: 119.651 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.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 176.067 CA :: 57.678 CB :: 39.791 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 :: 8.128 HA :: 3.964 HB2 :: 2.465 HB3 :: 2.619 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 :: 117.501 Ave N Shift Values>> N :: 120.73(4.2) 1.N84 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.3 Y 0.21 F 0.14 E 0.13 D 0.1 M 0.03 I 0.02 L 0.02 K 0.01 HN Overlap>> 1.E112 1.E112 C Shift Assignments>> C :: 176.713 CA :: 55.073 CB :: 37.819 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 :: 7.466 HA :: 4.381 HB2 :: 3.028 HB3 :: 3.028 HD21 :: 10.238(A) HD22 :: 6.336 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 :: 116.565 ND2 :: 114.030 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.194 CA :: 61.166 CB :: 37.844 CD1 :: 132.920 CD2 :: 132.920 CE1 :: 119.303 CE2 :: 119.303 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 :: 7.717 HA :: 4.502 HB2 :: 2.805 HB3 :: 3.016 HD1 :: 6.751 HD2 :: 6.751 HE1 :: 6.371 HE2 :: 6.371 HH :: 10.846 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 :: 117.226 Ave N Shift Values>> N :: 120.79(4.69) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 F 0.27 C Shift Assignments>> CA :: 54.852 CB :: 37.790 CD1 :: 129.195 CD2 :: 129.195 CE1 :: 131.430 CE2 :: 131.430 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 :: 9.019 HA :: 4.688 HB2 :: 3.085 HB3 :: 3.648 HD1 :: 7.098 HD2 :: 7.098 HE1 :: 7.307 HE2 :: 7.307 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 :: 118.470 Ave N Shift Values>> N :: 120.69(4.18) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.18 K 0.12 C Shift Assignments>> C :: 175.048 CA :: 60.218 CB :: 30.326 CG :: 28.178 CD :: 43.468 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 :: 8.304 HA :: 3.808 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.705 HG3 :: 1.874 HD2 :: 3.260 HD3 :: 3.260 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 :: 116.282 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.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.158 CA :: 58.583 CB :: 63.892 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.594 HA :: 4.516 HB2 :: 3.813 HB3 :: 3.813 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 :: 109.588 Ave N Shift Values>> N :: 116.3(3.95) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.06 R 0.01 C Shift Assignments>> CA :: 46.087 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.841 HA2 :: 3.729 HA3 :: 3.274 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.332 Ave N Shift Values>> N :: 109.91(4.29) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.2 K 0.1 Q 0.07 I 0.04 C Shift Assignments>> C :: 174.071 CA :: 55.935 CB :: 30.539 CG :: 36.247 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 :: 7.918 HA :: 4.518 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 2.263 HG3 :: 2.263 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 :: 117.903 Ave N Shift Values>> N :: 120.68(3.68) 1.G91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 181.585(S) CA :: 45.469 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.548 HA2 :: 3.182 HA3 :: 4.985 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.731 Ave N Shift Values>> N :: 109.91(4.29) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.93 G 0.06 C Shift Assignments>> C :: 171.539 CA :: 57.111 CB :: 42.639 CD1 :: 132.231 CD2 :: 132.231 CE1 :: 130.657 CE2 :: 130.657 CZ :: 129.129 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 :: 8.143 HA :: 5.167 HB2 :: 2.432 HB3 :: 2.677 HD1 :: 6.858 HD2 :: 6.858 HE1 :: 6.720 HE2 :: 6.720 HZ :: 7.373 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 :: 119.208 Ave N Shift Values>> N :: 120.69(4.18) 1.L93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 171.230 CA :: 53.241 CB :: 40.960 CG :: 25.791 CD1 :: 26.132 CD2 :: 25.502 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 :: 8.524 HA :: 4.781 HB2 :: 1.907 HB3 :: 0.679 HG :: 1.104 HD11 :: 0.452 HD12 :: 0.452 HD13 :: 0.452 HD21 :: -0.259(S) HD22 :: -0.259(S) HD23 :: -0.259(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 :: 123.152 Ave N Shift Values>> N :: 121.98(4.07) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.21 G 0.09 K 0.01 C Shift Assignments>> C :: 171.377 CA :: 53.233 CB :: 42.999 CG :: 27.500 CD1 :: 26.656 CD2 :: 25.024 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 :: 8.483 HA :: 4.817 HB2 :: 1.943 HB3 :: 1.149 HG :: 1.599 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 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 :: 127.056 Ave N Shift Values>> N :: 121.98(4.07) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.938 CA :: 60.714 CB :: 33.264 CG1 :: 21.547 CG2 :: 22.538 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 :: 9.198 HA :: 5.014 HB :: 1.617 HG11 :: 0.667 HG12 :: 0.667 HG13 :: 0.667 HG21 :: 0.531 HG22 :: 0.531 HG23 :: 0.531 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 :: 125.804 Ave N Shift Values>> N :: 121.02(4.96) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 Y 0.34 C Shift Assignments>> CA :: 55.804 CB :: 40.640 CD1 :: 132.821 CD2 :: 132.821 CE1 :: 132.116 CE2 :: 132.116 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 :: 9.234 HA :: 4.852 HB2 :: 3.475 HB3 :: 2.735 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 7.420 HE2 :: 7.420 HZ :: 6.860 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 :: 122.578 Ave N Shift Values>> N :: 120.69(4.18) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.150 CA :: 54.359 CB :: 64.723 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.777 HA :: 4.856 HB2 :: 3.754 HB3 :: 3.497 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 :: 112.017 Ave N Shift Values>> N :: 116.3(3.95) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.520 CA :: 64.406 CB :: 38.549 CG1 :: 26.618 CG2 :: 18.643 CD1 :: 15.476 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 :: 8.830 HA :: 4.082 HB :: 2.001 HG12 :: 1.047 HG13 :: 0.832 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 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 :: 121.564 Ave N Shift Values>> N :: 121.6(4.72) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 171.337 CA :: 61.807 CB :: 68.784 CG2 :: 24.399 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 :: 8.164 HA :: 4.475 HB :: 4.483 HG1 :: 4.708 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 110.809 Ave N Shift Values>> N :: 115.7(5.05) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 E 0.41 Q 0.04 K 0.01 HN Overlap>> 1.E186 1.E186 C Shift Assignments>> C :: 174.702 CA :: 54.189 CB :: 32.168 CG :: 36.200 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 :: 7.663 HA :: 4.916 HB2 :: 1.774 HB3 :: 2.135 HG2 :: 2.159 HG3 :: 2.326 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 :: 120.589 Ave N Shift Values>> N :: 120.68(3.68) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.7 H 0.29 C Shift Assignments>> C :: 174.976 CA :: 61.858 CB :: 28.385 CD2 :: 120.178 CE1 :: 136.590 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 :: 10.030 HA :: 3.957 HB2 :: 3.259 HB3 :: 3.282 HD2 :: 7.359 HE1 :: 8.273 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 :: 130.794 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.44 K 0.07 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.421 CA :: 59.643 CB :: 29.063 CG :: 36.817 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 :: 9.854 HA :: 4.284 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.422 HG3 :: 2.422 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 :: 118.497 Ave N Shift Values>> N :: 120.68(3.68) 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 :: 173.852 CA :: 61.187 CB :: 63.651 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.567 HA :: 4.496 HB2 :: 4.246 HB3 :: 4.246 HG :: 6.111 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 :: 115.501 Ave N Shift Values>> N :: 116.3(3.95) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.388 CA :: 59.795 CB :: 39.328 CD1 :: 131.323 CD2 :: 131.323 CE1 :: 130.152 CE2 :: 130.152 CZ :: 128.409 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 :: 7.236 HA :: 3.826 HB2 :: 2.726 HB3 :: 2.421 HD1 :: 5.592 HD2 :: 5.592 HE1 :: 6.699 HE2 :: 6.699 HZ :: 6.572 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 :: 125.003 Ave N Shift Values>> N :: 120.69(4.18) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.354 CA :: 66.056 CB :: 67.750 CG2 :: 22.618 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 :: 8.326 HA :: 3.480 HB :: 4.151 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 117.946 Ave N Shift Values>> N :: 115.7(5.05) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 177.214 CA :: 54.723 CB :: 18.554 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.664 HA :: 4.135 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.808 Ave N Shift Values>> N :: 123.23(3.7) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.084 CA :: 66.678 CB :: 68.994 CG2 :: 23.016 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 :: 7.447 HA :: 4.102 HB :: 4.230 HG1 :: 4.437 HG21 :: 1.597 HG22 :: 1.597 HG23 :: 1.597 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 :: 108.241 Ave N Shift Values>> N :: 115.7(5.05) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 V 0.01 C Shift Assignments>> C :: 177.651 CA :: 55.468 CB :: 18.544 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.040 HA :: 4.100 HB1 :: 1.588 HB2 :: 1.588 HB3 :: 1.588 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.366 Ave N Shift Values>> N :: 123.23(3.7) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.19 I 0.19 Q 0.11 M 0.02 R 0.01 C Shift Assignments>> C :: 177.045 CA :: 58.561 CB :: 28.887 CG :: 35.831 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 :: 7.289 HA :: 4.013 HB2 :: 1.916 HB3 :: 1.800 HG2 :: 2.061 HG3 :: 2.061 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 :: 118.635 Ave N Shift Values>> N :: 120.68(3.68) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 Y 0.28 C Shift Assignments>> C :: 175.540 CA :: 61.950 CB :: 39.666 CD1 :: 131.298 CD2 :: 131.298 CE1 :: 131.456 CE2 :: 131.456 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 :: 7.567 HA :: 4.201 HB2 :: 2.767 HB3 :: 2.767 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 7.343 HE2 :: 7.343 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 :: 117.428 Ave N Shift Values>> N :: 120.69(4.18) 1.R111 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.51 K 0.31 L 0.15 G 0.01 HN Overlap>> 1.D52 1.Q66 1.D52 1.Q66 1.N7 1.M176 1.N7 1.M176 C Shift Assignments>> C :: 174.443 CA :: 59.999 CB :: 28.293 CG :: 27.818 CD :: 41.427 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 :: 8.247 HA :: 3.365 HB2 :: 0.837(S) HB3 :: 0.839(S) HG2 :: 0.542(S) HG3 :: 1.190 HD2 :: 0.875(A) HD3 :: 1.115(A) HE :: 6.777 HH11 :: 6.381 HH12 :: 6.388 HH21 :: 6.381 HH22 :: 6.388 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 :: 117.377 NE :: 82.749 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HG3 : 0.9983) (HD3 > HG3 : 0.9982) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.28 K 0.15 Q 0.07 M 0.02 HN Overlap>> 1.N84 1.N84 C Shift Assignments>> C :: 176.680 CA :: 59.368 CB :: 29.003 CG :: 35.970 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 :: 7.460 HA :: 3.662 HB2 :: 2.016 HB3 :: 1.965 HG2 :: 2.196 HG3 :: 2.249 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 :: 116.614 Ave N Shift Values>> N :: 120.68(3.68) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.28 R 0.22 E 0.05 M 0.03 I 0.02 P 0.02 C Shift Assignments>> C :: 176.171 CA :: 58.991 CB :: 27.863 CG :: 33.047 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 :: 7.631 HA :: 3.939 HB2 :: 2.332 HB3 :: 2.181 HG2 :: 2.429 HG3 :: 2.499 HE21 :: 6.363 HE22 :: 7.463 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 :: 118.243 NE2 :: 110.349 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A73 1.K118 1.A73 1.K118 C Shift Assignments>> C :: 174.643 CA :: 65.761 CB :: 37.972 CG1 :: 28.054 CG2 :: 15.984 CD1 :: 14.796 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 :: 7.780 HA :: 2.987 HB :: 1.279 HG12 :: 1.188 HG13 :: -0.673(S) HG21 :: -0.441(S) HG22 :: -0.441(S) HG23 :: -0.441(S) HD11 :: -0.041 HD12 :: -0.041 HD13 :: -0.041 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 :: 120.104 Ave N Shift Values>> N :: 121.6(4.72) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 V 0.01 A 0.01 C Shift Assignments>> C :: 175.400 CA :: 57.887 CB :: 40.733 CG :: 27.425 CD1 :: 22.499 CD2 :: 24.191 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 :: 7.876 HA :: 3.532 HB2 :: 1.511 HB3 :: 1.283 HG :: 1.511 HD11 :: 0.533 HD12 :: 0.533 HD13 :: 0.533 HD21 :: 0.481 HD22 :: 0.481 HD23 :: 0.481 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 :: 116.747 Ave N Shift Values>> N :: 121.98(4.07) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.15 K 0.11 HN Overlap>> 1.K170 1.K170 C Shift Assignments>> C :: 176.719 CA :: 58.995 CB :: 30.315 CG :: 27.316 CD :: 43.480 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 :: 7.664 HA :: 3.993 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 1.620 HG3 :: 1.512 HD2 :: 3.154 HD3 :: 3.154 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 :: 117.116 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.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.351 CA :: 64.532 CB :: 31.995 CG1 :: 22.184 CG2 :: 21.816 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 :: 7.717 HA :: 3.975 HB :: 2.192 HG11 :: 1.170 HG12 :: 1.170 HG13 :: 1.170 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 116.195 Ave N Shift Values>> N :: 121.02(4.96) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.44 M 0.03 G 0.01 L 0.01 A 0.01 HN Overlap>> 1.A73 1.A73 1.I114 1.I114 C Shift Assignments>> C :: 174.194 CA :: 54.210 CB :: 30.360 CG :: 24.038 CD :: 28.473 CE :: 42.110 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 :: 7.854 HA :: 4.569 HB2 :: 1.639 HB3 :: 1.936 HG2 :: 1.453 HG3 :: 1.282 HD2 :: 1.776 HD3 :: 1.802 HE2 :: 3.088 HE3 :: 3.222 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 :: 120.034 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 I 0.01 C Shift Assignments>> C :: 175.986 CA :: 54.613 CB :: 18.957 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.011 HA :: 4.037 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.860 Ave N Shift Values>> N :: 123.23(3.7) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.16 I 0.12 M 0.07 Q 0.06 C Shift Assignments>> C :: 174.206 CA :: 56.891 CB :: 29.472 CG :: 36.404 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 :: 8.737 HA :: 4.196 HB2 :: 2.101 HB3 :: 1.920 HG2 :: 2.176 HG3 :: 2.181 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 :: 115.564 Ave N Shift Values>> N :: 120.68(3.68) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.21 K 0.09 Q 0.06 I 0.04 C Shift Assignments>> C :: 173.191 CA :: 55.703 CB :: 30.577 CG :: 36.308 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 :: 7.920 HA :: 4.310 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 2.180 HG3 :: 2.178 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 :: 119.444 Ave N Shift Values>> N :: 120.68(3.68) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.22 K 0.2 F 0.1 R 0.08 Y 0.08 N 0.04 C Shift Assignments>> C :: 173.520 CA :: 55.177 CB :: 41.646 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 :: 8.306 HA :: 4.330 HB2 :: 2.612 HB3 :: 2.612 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 :: 120.581 Ave N Shift Values>> N :: 120.73(4.2) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.26 M 0.04 G 0.01 C Shift Assignments>> C :: 172.946 CA :: 55.556 CB :: 33.211 CG :: 24.728 CD :: 28.982 CE :: 42.186 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 :: 8.021 HA :: 4.288 HB2 :: 1.678 HB3 :: 1.678 HG2 :: 1.267 HG3 :: 1.267 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.936 HE3 :: 2.936 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 :: 119.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 C Shift Assignments>> CA :: 57.608 CB :: 39.549 CG1 :: 27.880 CG2 :: 17.849 CD1 :: 14.274 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 :: 8.307 HA :: 4.384 HB :: 1.597 HG12 :: 1.252 HG13 :: 0.983 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 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 :: 125.195 Ave N Shift Values>> N :: 121.6(4.72) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.494 CA :: 63.723 CB :: 32.323 CG :: 27.936 CD :: 50.961 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 :: 4.395 HB2 :: 1.808 HB3 :: 2.218 HG2 :: 1.928 HG3 :: 1.929 HD2 :: 3.780 HD3 :: 3.608 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.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.32 R 0.02 C Shift Assignments>> C :: 171.990 CA :: 55.024 CB :: 45.668 CG :: 26.878 CD1 :: 26.303 CD2 :: 25.871 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 :: 7.929 HA :: 5.475 HB2 :: 1.634 HB3 :: 1.539 HG :: 1.624 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 127.899 Ave N Shift Values>> N :: 121.98(4.07) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.15 R 0.04 C Shift Assignments>> C :: 172.275 CA :: 55.860 CB :: 46.476 CG :: 28.993 CD1 :: 26.009 CD2 :: 26.100 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 :: 8.238 HA :: 4.650 HB2 :: 1.313 HB3 :: 1.460 HG :: 1.617 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 125.544 Ave N Shift Values>> N :: 121.98(4.07) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 170.785 CA :: 62.200 CB :: 32.610 CG1 :: 22.121 CG2 :: 22.973 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 :: 8.297 HA :: 4.916 HB :: 2.314 HG11 :: 1.409 HG12 :: 1.409 HG13 :: 1.409 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 124.427 Ave N Shift Values>> N :: 121.02(4.96) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 171.620 CA :: 60.050 CB :: 34.895 CG1 :: 22.562 CG2 :: 23.509 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 :: 9.138 HA :: 4.845 HB :: 1.728 HG11 :: 0.547 HG12 :: 0.547 HG13 :: 0.547 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 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 :: 128.652 Ave N Shift Values>> N :: 121.02(4.96) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.952 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.257 HA2 :: 2.697 HA3 :: 2.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.819 Ave N Shift Values>> N :: 109.91(4.29) 1.N131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.3 L 0.14 F 0.04 K 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 171.921 CA :: 51.440 CB :: 40.947 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 :: 8.690 HA :: 5.477 HB2 :: 2.113 HB3 :: 2.595 HD21 :: 7.543 HD22 :: 8.785 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 :: 121.537 ND2 :: 120.999 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 L 0.16 K 0.08 M 0.01 C Shift Assignments>> C :: 175.700 CA :: 57.487 CB :: 28.962 CD :: 26.650 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 :: 7.197 HA :: 4.147 HB2 :: 2.534 HB3 :: 1.422 HD2 :: 0.861 HD3 :: 0.861 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 :: 110.605 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.165 CA :: 60.625 CB :: 62.801 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.154 HA :: 3.781 HB2 :: 3.498 HB3 :: 3.966 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 :: 114.308 Ave N Shift Values>> N :: 116.3(3.95) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.18 L 0.14 F 0.14 Y 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 173.879 CA :: 54.805 CB :: 40.133 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 :: 8.654 HA :: 4.471 HB2 :: 2.614 HB3 :: 2.541 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 :: 116.742 Ave N Shift Values>> N :: 120.73(4.2) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.4 C Shift Assignments>> C :: 174.303 CA :: 53.230 CB :: 39.945 CG :: 25.727 CD1 :: 22.589 CD2 :: 26.698 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 :: 8.012 HA :: 4.661 HB2 :: 1.281 HB3 :: 1.830 HG :: 1.449 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 122.958 Ave N Shift Values>> N :: 121.98(4.07) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Q 0.26 K 0.19 M 0.13 I 0.06 R 0.01 C Shift Assignments>> C :: 175.812 CA :: 59.358 CB :: 30.180 CG :: 34.502 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 :: 6.617 HA :: 3.674 HB2 :: 2.154 HB3 :: 1.816 HG2 :: 2.383 HG3 :: 2.064 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 :: 119.289 Ave N Shift Values>> N :: 120.68(3.68) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.26 K 0.15 Q 0.06 M 0.02 C Shift Assignments>> C :: 174.709 CA :: 58.722 CB :: 28.919 CG :: 36.223 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 :: 9.122 HA :: 4.110 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 2.181 HG3 :: 2.250 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 :: 116.893 Ave N Shift Values>> N :: 120.68(3.68) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.21 K 0.07 L 0.02 C Shift Assignments>> C :: 173.197 CA :: 54.144 CB :: 30.356 CG :: 27.211 CD :: 43.685 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 :: 7.914 HA :: 4.506 HB2 :: 1.629 HB3 :: 2.219 HG2 :: 1.554 HG3 :: 1.554 HD2 :: 3.156 HD3 :: 3.156 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 :: 117.314 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.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.19 G 0.16 I 0.01 C Shift Assignments>> C :: 174.474 CA :: 58.810 CB :: 31.769 CD :: 43.519 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 :: 7.408 HA :: 3.459 HB2 :: 1.954 HB3 :: 1.550 HG2 :: 1.090 HG3 :: 1.287 HD2 :: 2.853 HD3 :: 3.569 HE :: 8.160 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 :: 120.315 NE :: 79.979 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.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 Q 0.21 E 0.13 K 0.02 C Shift Assignments>> C :: 172.552 CA :: 55.103 CB :: 32.550 CG :: 33.968 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 :: 9.524 HA :: 4.542 HB2 :: 1.457 HB3 :: 1.457 HG2 :: 2.452 HG3 :: 2.650 HE21 :: 6.976 HE22 :: 7.369 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 :: 123.915 NE2 :: 110.883 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.96 A 0.03 C Shift Assignments>> CA :: 58.851 CB :: 33.147 CG1 :: 19.577 CG2 :: 20.370 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 :: 7.149 HA :: 4.386 HB :: 2.036 HG11 :: -0.051(S) HG12 :: -0.051(S) HG13 :: -0.051(S) HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 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 :: 120.645 Ave N Shift Values>> N :: 121.02(4.96) 1.P142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.817 CA :: 62.581 CB :: 32.610 CG :: 27.613 CD :: 50.825 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 :: 4.377 HB2 :: 1.671 HB3 :: 2.376 HG2 :: 1.797 HG3 :: 2.015 HD2 :: 3.969 HD3 :: 3.767 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.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.331 CA :: 66.366 CB :: 32.128 CG1 :: 22.193 CG2 :: 21.078 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 :: 8.770 HA :: 3.482 HB :: 1.914 HG11 :: 1.167 HG12 :: 1.167 HG13 :: 1.167 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 125.730 Ave N Shift Values>> N :: 121.02(4.96) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.3 K 0.14 Q 0.06 M 0.01 C Shift Assignments>> C :: 176.595 CA :: 59.293 CB :: 28.818 CG :: 36.064 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 :: 8.801 HA :: 3.841 HB2 :: 1.846 HB3 :: 1.846 HG2 :: 2.170 HG3 :: 2.248 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 :: 114.287 Ave N Shift Values>> N :: 120.68(3.68) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.17 I 0.15 Q 0.13 M 0.06 C Shift Assignments>> C :: 176.209 CA :: 58.878 CB :: 29.554 CG :: 35.616 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 :: 6.968 HA :: 3.794 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 1.760 HG3 :: 2.133 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 :: 120.510 Ave N Shift Values>> N :: 120.68(3.68) 1.A146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.02 C Shift Assignments>> C :: 176.304 CA :: 54.619 CB :: 17.638 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.693 HA :: 3.511 HB1 :: 0.383(S) HB2 :: 0.383(S) HB3 :: 0.383(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.572 Ave N Shift Values>> N :: 123.23(3.7) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.18 K 0.1 C Shift Assignments>> C :: 176.681 CA :: 59.909 CB :: 30.151 CG :: 27.814 CD :: 43.529 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 :: 8.540 HA :: 3.520 HB2 :: 1.686 HB3 :: 1.712 HG2 :: 1.753 HG3 :: 1.608 HD2 :: 3.158 HD3 :: 3.128 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 :: 116.860 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.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.456 CA :: 61.697 CB :: 62.599 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.660 HA :: 4.054 HB2 :: 3.821 HB3 :: 3.792 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 :: 112.639 Ave N Shift Values>> N :: 116.3(3.95) 1.K149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.61 A 0.2 L 0.1 K 0.02 M 0.02 V 0.02 C Shift Assignments>> C :: 174.066 CA :: 56.543 CB :: 30.076 CG :: 21.363 CD :: 26.110 CE :: 40.907 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 :: 7.057 HA :: 3.606 HB2 :: 1.495 HB3 :: 1.269 HG2 :: 0.433(S) HG3 :: -0.445(S) HD2 :: 0.938 HD3 :: 0.960 HE2 :: 2.335 HE3 :: 2.528 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 :: 123.421 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.05 C Shift Assignments>> C :: 177.138 CA :: 55.476 CB :: 17.842 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.745 HA :: 3.715 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.450 Ave N Shift Values>> N :: 123.23(3.7) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.38 K 0.08 Q 0.02 M 0.02 HN Overlap>> 1.M184 1.M184 C Shift Assignments>> C :: 178.401 CA :: 59.537 CB :: 29.232 CG :: 36.575 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 :: 4.069 HB2 :: 2.081 HB3 :: 2.002 HG2 :: 2.189 HG3 :: 2.366 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 :: 116.789 Ave N Shift Values>> N :: 120.68(3.68) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.28 K 0.14 Q 0.06 M 0.02 C Shift Assignments>> C :: 176.644 CA :: 59.466 CB :: 29.109 CG :: 35.999 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 :: 7.732 HA :: 3.935 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.344 HG3 :: 2.069 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 :: 122.914 Ave N Shift Values>> N :: 120.68(3.68) 1.W153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.239 CA :: 54.867 CB :: 30.143 CD1 :: 122.598 CE3 :: 118.863 CZ2 :: 113.632 CZ3 :: 120.653 CH2 :: 123.253 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 :: 7.736 HA :: 4.737 HB2 :: 3.354 HB3 :: 3.089 HD1 :: 6.808 HE1 :: 9.818 HE3 :: 6.921 HZ2 :: 7.040 HZ3 :: 6.607 HH2 :: 6.813 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 :: 118.538 NE1 :: 127.032 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 172.885 CA :: 46.602 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.240 HA2 :: 4.029 HA3 :: 4.002 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.138 Ave N Shift Values>> N :: 109.91(4.29) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 I 0.3 A 0.09 C Shift Assignments>> C :: 172.284 CA :: 58.876 CB :: 35.632 CG1 :: 18.979 CG2 :: 22.668 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 :: 8.236 HA :: 4.983 HB :: 2.693 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 112.397 Ave N Shift Values>> N :: 121.02(4.96) 1.Q156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.7 E 0.22 N 0.06 C Shift Assignments>> C :: 171.540 CA :: 55.243 CB :: 30.556 CG :: 34.419 CD :: 178.084 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 :: 8.797 HA :: 4.353 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 2.366 HG3 :: 2.262 HE21 :: 7.113 HE22 :: 7.495 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 :: 118.627 NE2 :: 113.512 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.803 CA :: 55.138 CB :: 41.318 CD1 :: 132.003 CD2 :: 132.003 CE1 :: 119.539 CE2 :: 119.539 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 :: 8.105 HA :: 5.777 HB2 :: 2.563 HB3 :: 2.724 HD1 :: 6.854 HD2 :: 6.854 HE1 :: 6.660 HE2 :: 6.660 HH :: 11.414 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 :: 120.150 Ave N Shift Values>> N :: 120.79(4.69) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 170.745 CA :: 60.366 CB :: 36.197 CG1 :: 22.111 CG2 :: 22.080 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 :: 8.240 HA :: 3.690 HB :: 1.382 HG11 :: 0.674 HG12 :: 0.674 HG13 :: 0.674 HG21 :: 0.605 HG22 :: 0.605 HG23 :: 0.605 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 :: 129.201 Ave N Shift Values>> N :: 121.02(4.96) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.23 K 0.1 Q 0.07 I 0.02 C Shift Assignments>> C :: 174.873 CA :: 54.980 CB :: 30.524 CG :: 36.234 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 :: 8.182 HA :: 5.119 HB2 :: 1.658 HB3 :: 1.658 HG2 :: 2.178 HG3 :: 2.178 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 :: 122.665 Ave N Shift Values>> N :: 120.68(3.68) 1.T160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.285 CA :: 59.609 CB :: 73.381 CG2 :: 22.939 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 :: 8.826 HA :: 4.770 HB :: 3.860 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 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 :: 114.155 Ave N Shift Values>> N :: 115.7(5.05) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.322 CA :: 57.616 CB :: 64.145 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.031 HA :: 4.871 HB2 :: 3.737 HB3 :: 3.862 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 :: 110.549 Ave N Shift Values>> N :: 116.3(3.95) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.02 C Shift Assignments>> C :: 173.391 CA :: 54.769 CB :: 18.612 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.029 HA :: 3.845 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.038 Ave N Shift Values>> N :: 123.23(3.7) 1.K163 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.04 G 0.01 HN Overlap>> 1.A51 1.A51 C Shift Assignments>> C :: 174.651 CA :: 58.290 CB :: 34.016 CG :: 24.749 CD :: 29.710 CE :: 42.118 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 :: 6.876 HA :: 2.214(S) HB2 :: 0.986 HB3 :: 0.429(S) HG2 :: 0.290(S) HG3 :: 0.600 HD2 :: 1.321 HD3 :: 1.193 HE2 :: 2.706 HE3 :: 2.696 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 :: 115.128 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.057 CA :: 61.351 CB :: 69.200 CG2 :: 21.242 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 :: 7.668 HA :: 4.047 HB :: 4.345 HG1 :: 5.249 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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 :: 105.784 Ave N Shift Values>> N :: 115.7(5.05) 1.R165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 G 0.23 R 0.08 C Shift Assignments>> C :: 173.434 CA :: 58.552 CB :: 30.197 CG :: 32.266 CD :: 43.251 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 :: 7.634 HA :: 3.440 HB2 :: 2.139 HB3 :: 2.139 HG2 :: 1.736 HG3 :: 1.198 HD2 :: 3.055 HD3 :: 3.055 HE :: 6.887 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 :: 118.938 NE :: 84.261 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.A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 I 0.01 C Shift Assignments>> C :: 175.194 CA :: 54.044 CB :: 18.406 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.562 HA :: 4.069 HB1 :: 1.119 HB2 :: 1.119 HB3 :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.151 Ave N Shift Values>> N :: 123.23(3.7) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 E 0.17 Y 0.15 F 0.08 M 0.08 D 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 171.515 CA :: 54.266 CB :: 37.070 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 :: 8.942 HA :: 4.526 HB2 :: 3.181 HB3 :: 2.727 HD21 :: 6.776 HD22 :: 7.829 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 :: 115.708 ND2 :: 111.502 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.722 CA :: 67.725 CB :: 31.479 CG1 :: 24.689 CG2 :: 21.338 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 :: 7.285 HA :: 3.364 HB :: 1.834 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 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 :: 119.506 Ave N Shift Values>> N :: 121.02(4.96) 1.D169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.33 I 0.13 D 0.06 L 0.06 K 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 177.446 CA :: 58.077 CB :: 39.565 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 :: 7.976 HA :: 4.455 HB2 :: 2.455 HB3 :: 2.405 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 :: 116.182 Ave N Shift Values>> N :: 120.73(4.2) 1.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.04 G 0.02 HN Overlap>> 1.R116 1.R116 C Shift Assignments>> C :: 175.439 CA :: 59.669 CB :: 32.536 CG :: 24.767 CD :: 29.601 CE :: 42.367 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 :: 7.666 HA :: 3.865 HB2 :: 1.709 HB3 :: 1.469 HG2 :: 1.382 HG3 :: 1.382 HD2 :: 1.242 HD3 :: 1.554 HE2 :: 2.638 HE3 :: 3.041 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 :: 117.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.452 CA :: 66.043 CB :: 30.197 CG1 :: 18.437 CG2 :: 23.798 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 :: 7.324 HA :: 3.668 HB :: 1.679 HG11 :: 0.654 HG12 :: 0.654 HG13 :: 0.654 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 109.267 Ave N Shift Values>> N :: 121.02(4.96) 1.F172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 175.976 CA :: 63.179 CB :: 39.614 CD1 :: 130.806 CD2 :: 130.806 CE1 :: 128.521 CE2 :: 128.521 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 :: 6.627 HA :: 3.663 HB2 :: 2.149 HB3 :: 1.906 HD1 :: 6.746 HD2 :: 6.746 HE1 :: 6.721 HE2 :: 6.721 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 :: 116.803 Ave N Shift Values>> N :: 120.69(4.18) 1.F173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 175.895 CA :: 61.447 CB :: 37.795 CD1 :: 131.037 CD2 :: 131.037 CE1 :: 130.988 CE2 :: 130.988 CZ :: 129.645 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 :: 4.111 HB2 :: 2.853 HB3 :: 3.225 HD1 :: 7.374 HD2 :: 7.374 HE1 :: 7.412 HE2 :: 7.412 HZ :: 7.280 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 :: 119.032 Ave N Shift Values>> N :: 120.69(4.18) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.3 I 0.12 D 0.06 E 0.05 L 0.04 N 0.03 C Shift Assignments>> C :: 178.229 CA :: 57.644 CB :: 38.910 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 :: 9.463 HA :: 4.353 HB2 :: 2.688 HB3 :: 2.377 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 :: 119.786 Ave N Shift Values>> N :: 120.73(4.2) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 L 0.28 K 0.05 A 0.03 C Shift Assignments>> C :: 176.716 CA :: 57.904 CB :: 41.138 CG :: 26.559 CD1 :: 22.303 CD2 :: 28.214 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 :: 7.515 HA :: 3.943 HB2 :: 1.658 HB3 :: 1.402 HG :: 1.243 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 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 :: 120.106 Ave N Shift Values>> N :: 121.98(4.07) 1.M176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 I 0.35 HN Overlap>> 1.D52 1.Q66 1.R111 1.R177 1.D52 1.Q66 1.R111 1.R177 C Shift Assignments>> C :: 175.513 CA :: 61.230 CB :: 35.530 CG :: 33.568 CE :: 17.656 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 :: 8.197 HA :: 3.322 HB2 :: 1.574 HB3 :: 2.363 HG2 :: 1.834 HG3 :: 2.790 HE1 :: 1.540 HE2 :: 1.540 HE3 :: 1.540 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 :: 117.287 Ave N Shift Values>> N :: 120.1(3.88) 1.R177 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 R 0.25 K 0.16 HN Overlap>> 1.M176 1.M176 C Shift Assignments>> C :: 176.738 CA :: 61.180 CB :: 29.584 CG :: 30.667 CD :: 43.597 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 :: 8.222 HA :: 3.648 HB2 :: 1.813 HB3 :: 1.813 HG2 :: 1.330 HG3 :: 2.091 HD2 :: 3.149 HD3 :: 3.113 HE :: 9.083(S) HH12 :: 6.667 HH22 :: 7.046 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 :: 117.222 NE :: 115.576 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.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.29 K 0.09 Q 0.05 M 0.05 C Shift Assignments>> C :: 177.731 CA :: 59.958 CB :: 29.878 CG :: 36.022 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 :: 7.567 HA :: 4.042 HB2 :: 2.221 HB3 :: 2.115 HG2 :: 2.249 HG3 :: 2.357 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 :: 120.301 Ave N Shift Values>> N :: 120.68(3.68) 1.I179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 174.975 CA :: 66.084 CB :: 38.108 CG1 :: 27.827 CG2 :: 19.597 CD1 :: 15.273 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 :: 8.271 HA :: 3.397 HB :: 1.401 HG12 :: 1.689 HG13 :: 0.705 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 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 :: 121.483 Ave N Shift Values>> N :: 121.6(4.72) 1.R180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.27 K 0.05 C Shift Assignments>> C :: 175.571 CA :: 60.313 CB :: 30.362 CG :: 26.569 CD :: 43.744 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 :: 8.605 HA :: 3.655 HB2 :: 2.085 HB3 :: 2.087 HG2 :: 1.435 HG3 :: 1.812 HD2 :: 3.024 HD3 :: 3.276 HE :: 7.366 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 :: 120.594 NE :: 113.024 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.T181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.230 CA :: 66.883 CB :: 68.933 CG2 :: 21.673 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 :: 8.186 HA :: 3.789 HB :: 4.218 HG1 :: 4.704 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 115.217 Ave N Shift Values>> N :: 115.7(5.05) 1.K182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.36 M 0.05 G 0.04 C Shift Assignments>> C :: 177.027 CA :: 59.453 CB :: 32.451 CG :: 24.885 CD :: 30.023 CE :: 42.667 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 :: 7.673 HA :: 3.996 HB2 :: 2.085 HB3 :: 1.870 HG2 :: 1.329 HG3 :: 1.456 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 3.089 HE3 :: 3.089 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 :: 123.532 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 177.139 CA :: 59.609 CB :: 33.491 CG :: 24.883 CD :: 30.135 CE :: 41.952 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 :: 8.443 HA :: 3.971 HB2 :: 1.833 HB3 :: 1.834 HG2 :: 1.462 HG3 :: 1.333 HD2 :: 1.642 HD3 :: 1.644 HE2 :: 2.940 HE3 :: 2.940 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 :: 119.398 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.04 HN Overlap>> 1.E151 1.E151 C Shift Assignments>> C :: 175.512 CA :: 57.606 CB :: 32.557 CG :: 32.536 CE :: 16.679 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 :: 8.261 HA :: 4.257 HB2 :: 2.182 HB3 :: 2.102 HG2 :: 2.575 HG3 :: 2.766 HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 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 :: 116.740 Ave N Shift Values>> N :: 120.1(3.88) 1.S185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.557 CA :: 59.845 CB :: 63.734 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.728 HA :: 4.368 HB2 :: 3.981 HB3 :: 3.981 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 :: 114.106 Ave N Shift Values>> N :: 116.3(3.95) 1.E186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.16 K 0.11 I 0.08 Q 0.06 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 173.947 CA :: 56.833 CB :: 30.341 CG :: 36.303 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 :: 7.691 HA :: 4.253 HB2 :: 1.964 HB3 :: 2.044 HG2 :: 2.236 HG3 :: 2.371 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 :: 120.518 Ave N Shift Values>> N :: 120.68(3.68) 1.N187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 Y 0.1 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 171.738 CA :: 53.448 CB :: 38.874 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 :: 8.078 HA :: 4.693 HB2 :: 2.705 HB3 :: 2.840 HD21 :: 6.862 HD22 :: 7.539 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 :: 119.052 ND2 :: 112.457 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.28 M 0.03 G 0.01 C Shift Assignments>> CA :: 57.736 CB :: 33.699 CG :: 24.845 CD :: 29.154 CE :: 42.082 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 :: 7.760 HA :: 4.110 HB2 :: 1.665 HB3 :: 1.789 HG2 :: 1.340 HG3 :: 1.340 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.934 HE3 :: 2.934 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 :: 126.123 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.G1 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.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G7 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.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.W40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 3.GNP1 Overall Status: Residue type not supported. ########################################################################### Overall Results: #Consistent: 229 #Clerical: 0 #Suspicious: 13 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 177 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 67 Shift Relative Order (SRO) Results: #Consistent: 242 #Suspicious: 2 C Shift Results: #Consistent: 758 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1243 #Duplicate: 0 #Unknown: 0 #Suspicious: 34 #Anomalous: 3 N Shift Results: #Consistent: 193 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K19 HD2 = 0.585(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.1315e-05 1.K19 HE2 = 2.096(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.0460e-05 1.M38 HB2 = -0.086(S), Expected = 2.03, Std = 0.3800, ChiSquare = 2.5706e-08 1.R55 HA = 5.921(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7524e-04 1.D68 HA = 5.978(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0199e-05 1.L70 HG = 0.367(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.7863e-04 1.L70 HD11 = -0.299(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5183e-05 1.L70 HD12 = -0.299(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5183e-05 1.L70 HD13 = -0.299(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5183e-05 1.L70 HD21 = -0.277(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1259e-04 1.L70 HD22 = -0.277(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1259e-04 1.L70 HD23 = -0.277(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1259e-04 1.N84 HD21 = 10.238(A), Expected = 7.27, Std = 0.5200, ChiSquare = 1.1452e-08 1.G91 C = 181.585(S), Expected = 174.04, Std = 1.9400, ChiSquare = 1.0059e-04 1.L93 HD21 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L93 HD22 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L93 HD23 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.R111 HB2 = 0.837(S), Expected = 1.79, Std = 0.2800, ChiSquare = 6.6511e-04 1.R111 HB3 = 0.839(S), Expected = 1.78, Std = 0.2800, ChiSquare = 7.7741e-04 1.R111 HG2 = 0.542(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.2083e-04 1.R111 HD2 = 0.875(A), Expected = 3.13, Std = 0.2300, ChiSquare = 1.0784e-22 1.R111 HD3 = 1.115(A), Expected = 3.13, Std = 0.2200, ChiSquare = 5.2336e-20 1.R111 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.R111 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.I114 HG13 = -0.673(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.7313e-06 1.I114 HG21 = -0.441(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8747e-05 1.I114 HG22 = -0.441(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8747e-05 1.I114 HG23 = -0.441(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8747e-05 1.V141 HG11 = -0.051(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.6685e-04 1.V141 HG12 = -0.051(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.6685e-04 1.V141 HG13 = -0.051(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.6685e-04 1.A146 HB1 = 0.383(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6633e-05 1.A146 HB2 = 0.383(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6633e-05 1.A146 HB3 = 0.383(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6633e-05 1.K149 HG2 = 0.433(S), Expected = 1.38, Std = 0.2700, ChiSquare = 4.5250e-04 1.K149 HG3 = -0.445(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.8840e-10 1.K163 HA = 2.214(S), Expected = 4.28, Std = 0.4500, ChiSquare = 4.4089e-06 1.K163 HB3 = 0.429(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.0345e-07 1.K163 HG2 = 0.290(S), Expected = 1.38, Std = 0.2700, ChiSquare = 5.4131e-05 1.K163 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K163 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R177 HE = 9.083(S), Expected = 7.32, Std = 0.5200, ChiSquare = 6.9795e-04